Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 24.36 103 0.0297 1.41 24 29.9 0.44 14 2.5702 18.13 2 24.46 104 0.0295 0.95 31 33.2 0.34 12 2.9063 24.27 3 26.02 82 0.0314 1.46 28 31.8 0.43 17 2.7783 17.92 4 27.20 107 0.0325 1.47 29 32.7 0.41 16 2.7788 18.14 5 27.58 114 0.0319 0.95 31 33.8 0.37 18 2.7210 17.98 6 27.73 124 0.0337 1.45 26 32.8 0.48 14 2.6015 17.91 7 27.80 113 0.0351 1.31 22 33.1 0.37 13 2.3926 18.06 8 28.04 107 0.0323 1.04 29 34.6 0.32 19 2.9256 18.05 9 28.35 105 0.0344 1.36 35 35.1 0.38 20 2.7033 17.89 10 29.24 131 0.0356 1.30 27 33.7 0.40 10 2.8891 24.11 11 29.28 142 0.0341 1.04 25 35.6 0.37 13 2.9941 23.97 12 29.61 120 0.0342 1.50 31 33.2 0.39 18 2.9005 18.23 13 29.63 115 0.0332 1.02 27 36.9 0.30 18 2.7787 18.33 14 29.79 111 0.0335 1.36 31 35.2 0.35 15 2.5181 18.22 15 30.50 117 0.0344 1.49 29 34.8 0.44 14 2.9563 24.28 16 30.84 119 0.0330 1.05 35 38.9 0.38 16 3.0676 24.20 17 30.90 125 0.0344 1.40 28 34.7 0.40 13 2.9074 23.86 18 31.64 147 0.0345 1.47 34 38.5 0.40 17 2.7221 18.67 19 31.65 122 0.0376 1.39 24 33.7 0.38 14 2.5533 17.88 20 31.97 133 0.0378 1.46 28 35.7 0.35 17 2.5789 17.96 Ave 28.83 117 0.0337 1.29 29 34.4 0.39 15 2.7622 19.90 +/- 2.16 14 0.0021 0.20 4 2.1 0.04 3 0.1778 2.76 Min 24.36 82 0.0295 0.95 22 29.9 0.30 10 2.3926 17.88 Max 31.97 147 0.0378 1.50 35 38.9 0.48 20 3.0676 24.28 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 44 - HD2 ARG 44 5.50 9 0.09 0.17 + +* + + + + ++ peak 705 Upper HB2 ARG 44 - HE1 TRP 72 5.50 8 0.10 0.20 ++ + ++* + + peak 1360 Upper QD PHE 47 - QG1 VAL 388 4.75 14 0.39 0.95 +++++ *+ ++ + ++++ peak 4111 Upper HZ PHE 47 - HG LEU 387 3.81 13 0.31 0.60 +++ +++ +++ * +++ peak 296 Upper HZ PHE 47 - HB VAL 388 4.03 12 0.22 0.48 + ++ *+++++++ + peak 290 Upper HZ PHE 47 - QG1 VAL 388 3.76 12 0.30 0.82 ++++ ++ + +++ +* peak 293 Upper HZ PHE 47 - HA GLN 391 5.50 6 0.05 0.18 *++ ++ + peak 87 Upper HB2 PHE 50 - QD1 LEU 68 4.59 11 0.12 0.30 + ++ + +*+++ ++ peak 2013 Upper HB3 PHE 50 - QB ALA 395 5.50 8 0.08 0.24 ++ + ++ + * + peak 2008 Upper HB2 HIS 51 - QB ALA 395 5.20 11 0.12 0.23 + ++ + ++ ++ * + + peak 2051 Upper HB3 HIS 51 - QB ALA 395 4.74 7 0.10 0.26 + + +* + + + peak 8174 Upper QD TYR 52 - QD1 LEU 396 4.32 20 0.32 0.49 +++++++++++*++++++++ peak 251 Upper QE TYR 52 - QB ALA 395 4.23 20 0.48 0.63 +++++++++++*++++++++ peak 234 Upper QE TYR 52 - HB3 LEU 396 3.47 20 0.28 0.65 +++++++++*++++++++++ peak 8330 Upper H GLU 53 - HB THR 56 5.50 7 0.10 0.21 + * + ++ ++ peak 2120 Upper H GLY 57 - H GLU 60 5.50 13 0.11 0.18 * + +++ ++ + ++++ + peak 398 Upper HB2 PRO 58 - H VAL 419 5.50 20 0.30 0.44 ++++++++++++++*+++++ peak 2171 Upper H GLN 59 - HG LEU 62 4.91 12 0.61 1.07 + ++ + +++ ++++ * peak 839 Upper H GLN 59 - QD1 LEU 62 4.01 8 0.26 0.70 + * ++ ++ + + peak 8308 Upper HB3 GLU 60 - HE21 GLN 64 5.33 10 0.09 0.16 ++ ++ +* + +++ peak 916 Upper QB ALA 61 - HB2 LEU 65 4.68 6 0.06 0.14 * + + ++ + peak 8142 Upper H LEU 62 - QG1 VAL 388 5.50 9 0.13 0.41 ++*++ + + ++ peak 886 Upper HG LEU 62 - HG3 PRO 412 4.14 8 0.55 1.46 + * ++ ++ + + peak 3779 Upper QD1 LEU 62 - H LEU 65 5.50 8 0.34 0.98 + * ++ ++ + + peak 2306 Upper QD1 LEU 62 - HZ PHE 392 3.73 8 0.13 0.47 + + +* ++ + + peak 8306 Upper QD1 LEU 62 - HG2 PRO 412 5.50 12 0.16 0.33 + +* + +++ ++++ + peak 3750 Upper QD1 LEU 62 - HG2 GLU 413 4.96 6 0.06 0.15 + + + + + * peak 3832 Upper QD1 LEU 62 - H ALA 415 5.50 6 0.07 0.19 ++ + + + * peak 1288 Upper HE22 GLN 64 - QD1 LEU 68 5.50 17 0.19 0.31 +++++++*++ + ++++++ peak 929 Upper H LEU 65 - HG LEU 65 3.51 11 0.31 0.67 + + *++ + + ++++ peak 935 Upper H LEU 65 - HG2 GLU 67 5.50 7 0.07 0.20 + + ++*+ + peak 2478 Upper QD1 LEU 65 - HA GLN 391 5.50 11 0.20 0.42 + * +++ + + ++++ peak 3219 Upper QD1 LEU 65 - H PHE 392 3.94 6 0.07 0.21 + + + +*+ peak 1170 Upper QB ARG 66 - H VAL 388 5.50 13 0.16 0.32 + ++ +++ *++++++ peak 2448 Upper H GLU 67 - HG LEU 68 5.50 12 0.41 0.74 * ++ ++ +++++ ++ peak 2527 Upper HA GLU 67 - HD3 ARG 70 5.50 6 0.07 0.14 * + + ++ + peak 2591 Upper HG2 ARG 70 - QD1 LEU 384 4.03 6 0.08 0.20 + + + * ++ peak 2574 Upper HG3 ARG 70 - H ARG 74 5.50 11 0.11 0.21 + ++ + ++ *++ ++ peak 2604 Upper HB2 TRP 72 - HG LEU 73 5.50 6 0.12 0.59 + * + ++ + peak 2636 Upper HB2 TRP 72 - H ARG 74 5.50 13 0.21 0.38 +++++ + + + +*+ ++ peak 2647 Upper HB3 TRP 72 - HB3 LEU 73 5.50 7 0.11 0.45 + + + ++ + * peak 2634 HB3 TRP 72 - HG LEU 73 Upper HB3 TRP 72 - H ARG 74 5.50 7 0.11 0.39 + * + ++ + + peak 993 Upper HZ2 TRP 72 - QD1 LEU 73 5.02 6 0.06 0.22 + + + ++ * peak 195 Upper HZ2 TRP 72 - QD2 LEU 387 3.96 13 0.20 0.53 +++ +++ +++ * +++ peak 8227 Upper HB2 LEU 73 - H MET 83 5.50 11 0.14 0.48 + * +++++ ++ ++ peak 1076 Upper QD1 LEU 73 - H LEU 386 5.50 11 0.15 0.50 + ++ ++ + ++ ++* peak 1100 Upper QD1 LEU 73 - HG LEU 387 3.42 12 0.17 0.40 +++++ + + + ++ *+ peak 8278 Upper QD2 LEU 73 - QB LEU 384 4.34 8 0.11 0.41 + + + +++ * + peak 2938 Upper QD2 LEU 73 - QD1 LEU 384 3.08 9 0.16 0.48 + + + *+++ + + peak 1932 Upper QD2 LEU 73 - HG LEU 387 4.12 12 0.18 0.47 + + + ++++++ *++ peak 8184 Upper H GLU 76 - QD1 LEU 384 5.50 6 0.06 0.17 ++ + + +* peak 1008 Upper HE2 LYS 80 - H GLN 82 5.50 6 0.08 0.19 * + + ++ + peak 1054 Upper HB3 MET 83 - QD2 LEU 87 5.50 6 0.07 0.27 + ++ ++ * peak 2960 Upper QB LEU 84 - QD1 LEU 87 3.31 7 0.08 0.37 ++ + * + + + peak 3117 Upper QB LEU 84 - QD2 LEU 87 3.65 12 0.22 0.79 +++*+ ++ +++ + + peak 3114 Upper QB LEU 84 - QD2 LEU 373 4.34 8 0.12 0.43 +++ + + *++ peak 2938 Upper QD1 LEU 84 - HG2 ARG 370 4.03 10 0.09 0.19 + +++ ++ + + * + peak 2574 Upper QD1 LEU 84 - H GLU 376 5.50 9 0.10 0.32 + + + + ++ +*+ peak 1008 Upper H LEU 86 - HG LEU 86 3.52 6 0.13 0.74 + + + +*+ peak 3075 Upper H LEU 86 - QD2 LEU 87 5.42 9 0.16 0.52 + + +++ ++* + peak 1097 Upper H LEU 86 - QD1 LEU 373 5.50 14 0.20 0.42 +++ +*++++ +++ + + peak 1100 Upper H LEU 87 - QD2 LEU 87 3.69 10 0.18 0.56 + + *++ +++ + + peak 1106 Upper HG LEU 87 - HZ PHE 347 3.81 9 0.20 0.59 *+ + ++ +++ + peak 296 Upper HG LEU 87 - QD1 LEU 373 3.42 13 0.21 0.47 +++++++ +*+ + + + peak 8278 Upper HG LEU 87 - QD2 LEU 373 4.12 11 0.14 0.33 +++ ++ ++ ++*+ peak 8184 Upper QD2 LEU 87 - HZ2 TRP 372 3.96 9 0.11 0.42 ++ + ++ +++ * peak 8227 Upper H VAL 88 - QB ARG 366 5.50 13 0.13 0.31 * ++ + ++++ ++ +++ peak 2448 Upper HA VAL 88 - HB3 PRO 112 5.50 8 0.11 0.30 + +++ ++ + * peak 3139 Upper HB VAL 88 - H LEU 89 3.24 8 0.32 0.89 + ++ + +* + + peak 1130 Upper HB VAL 88 - HZ PHE 347 4.03 12 0.21 0.49 +++ *+ ++ + + +++ peak 290 Upper QG1 VAL 88 - H GLU 90 4.68 9 0.08 0.24 *+ ++ + + +++ peak 8205 Upper QG1 VAL 88 - QD PHE 347 4.75 14 0.36 0.92 + ++++++ ++++ * + + peak 4111 Upper QG1 VAL 88 - HZ PHE 347 3.76 9 0.28 0.76 + + ++ + *+ + + peak 293 Upper QG1 VAL 88 - H LEU 362 5.50 7 0.11 0.51 + + * ++ + + peak 886 Upper QG2 VAL 88 - HG2 PRO 112 4.43 10 0.10 0.29 +++ +*+ + ++ + peak 3149 Upper HB2 LEU 89 - H LEU 93 5.50 8 0.10 0.22 + + ++ + ++ * peak 1175 Upper HG LEU 89 - H GLU 90 3.93 8 0.20 0.57 + ++ * + + ++ peak 1145 Upper QD1 LEU 89 - HD2 PRO 112 5.50 8 0.10 0.30 + +* + + + ++ peak 3775 Upper HZ PHE 92 - QD1 LEU 362 3.73 10 0.16 0.45 + + *+ + + ++++ peak 8306 Upper QB ALA 95 - HB3 PHE 350 5.50 9 0.08 0.31 + + + + ++ * + + peak 2008 Upper QB ALA 95 - HB2 HIS 351 5.20 11 0.12 0.26 + + + + ++++ *+ + peak 2051 Upper QB ALA 95 - HB3 HIS 351 4.74 6 0.10 0.29 + + + + + * peak 8174 Upper QB ALA 95 - QE TYR 352 4.23 20 0.48 0.62 +++++++*++++++++++++ peak 234 Upper H LEU 96 - H GLN 101 5.50 17 0.17 0.23 +++++++++ ++*+ + +++ peak 468 Upper HB3 LEU 96 - QE TYR 352 3.47 19 0.23 0.66 +++ +++++*++++++++++ peak 8330 Upper QD1 LEU 96 - H ALA 102 5.50 6 0.14 0.48 + * ++ + + peak 1212 Upper QD1 LEU 96 - QD TYR 352 4.32 20 0.33 0.47 +++++++++++++++++*++ peak 251 Upper HD2 PRO 97 - HE21 GLN 101 5.50 20 0.14 0.16 +++++++++++++++++++* peak 3428 Upper H GLN 101 - HE22 GLN 101 5.50 17 0.11 0.14 ++++*++++ ++++ + +++ peak 482 Upper QB GLN 107 - H LEU 118 5.50 19 0.17 0.23 + +++++++*++++++++++ peak 3622 Upper HG2 PRO 112 - QD1 LEU 362 5.50 10 0.12 0.32 +++ ++ * + ++ + peak 3750 Upper HG3 PRO 112 - HG LEU 362 4.14 10 0.70 1.50 + + ++ * + ++++ peak 3779 Upper H ALA 115 - QD1 LEU 362 5.50 7 0.06 0.23 + + + + + +* peak 1288 Upper H VAL 119 - HB2 PRO 358 5.50 19 0.29 0.44 +++++++++++ *+++++++ peak 2171 Upper H LEU 122 - QD1 LEU 122 3.37 13 0.14 0.26 +++++ *+ ++ + + ++ peak 3995 Upper QD2 LEU 122 - H ARG 123 4.21 11 0.12 0.27 ++ ++ + ++ + + *+ peak 3992 Upper H ARG 344 - HD2 ARG 344 5.50 9 0.11 0.25 ++++ ++ *+ + peak 705 Upper H ARG 344 - HD3 ARG 344 4.72 6 0.11 0.52 ++ + + + * peak 706 Upper HB2 ARG 344 - HE1 TRP 372 5.50 8 0.08 0.16 + + ++ *+ + + peak 1360 Upper HD3 ARG 344 - HZ2 TRP 372 4.30 6 0.07 0.31 ++ + + + * peak 186 Upper HZ PHE 347 - H CYS 369 5.50 7 0.08 0.27 + +* + ++ + peak 86 Upper HB2 PHE 350 - QD1 LEU 368 4.59 8 0.10 0.28 + + + ++ *+ + peak 2013 Upper H GLU 353 - HB THR 356 5.50 7 0.10 0.31 + ++ + + +* peak 2120 Upper H GLY 357 - H GLU 360 5.50 11 0.10 0.17 +* ++++ ++ ++ + peak 398 Upper H GLN 359 - HG LEU 362 4.91 10 0.49 1.05 +++ ++ + + ++ * peak 839 Upper H GLN 359 - QD1 LEU 362 4.01 10 0.29 0.70 + + +* + + ++++ peak 8308 Upper HB3 GLU 360 - HE21 GLN 364 5.33 8 0.08 0.19 + * + ++ ++ + peak 916 Upper QD1 LEU 362 - H LEU 365 5.50 10 0.42 0.92 + + ++ + + +++* peak 2306 Upper HE22 GLN 364 - QD1 LEU 368 5.50 16 0.20 0.32 ++++ +++*++ + ++++ + peak 929 Upper H LEU 365 - HG2 GLU 367 5.50 7 0.06 0.18 * ++ + +++ peak 2478 Upper H GLU 367 - HG LEU 368 5.50 9 0.30 0.72 + * ++ ++ ++ + peak 2527 Upper HG3 ARG 370 - H ARG 374 5.50 12 0.11 0.24 * + +++ ++ ++ +++ peak 2604 Upper H TRP 372 - QD2 LEU 373 5.50 9 0.11 0.29 *++ ++ + +++ peak 1341 Upper HB2 TRP 372 - H ARG 374 5.50 15 0.21 0.39 ++++++ ++*++++++ peak 2647 Upper HZ2 TRP 372 - QD1 LEU 373 5.02 7 0.07 0.20 + + *++ ++ peak 195 Upper HB2 LEU 373 - H MET 383 5.50 8 0.11 0.29 + + + + + + + * peak 1076 Upper H GLU 376 - QG1 VAL 377 5.50 9 0.10 0.34 + + * +++ +++ peak 2770 Upper H GLU 376 - QG2 VAL 377 4.03 7 0.09 0.26 + * + + +++ peak 1007 Upper HA GLU 376 - QG2 VAL 377 5.39 6 0.04 0.14 + + * + ++ peak 1736 Upper HG2 GLU 376 - QG1 VAL 377 3.10 9 0.30 0.95 + + + +*+ +++ peak 2779 Upper QB LEU 384 - QD1 LEU 387 3.31 10 0.13 0.48 ++ *++ + + + + + peak 3117 Upper QB LEU 384 - QD2 LEU 387 3.65 8 0.15 0.85 + ++ + + * ++ peak 3114 Upper H LEU 386 - HG LEU 386 3.52 6 0.11 0.70 + + + + * + peak 3075 Upper H LEU 387 - QD2 LEU 387 3.69 6 0.11 0.55 + + + + *+ peak 1106 Upper HA VAL 388 - HB3 PRO 412 5.50 9 0.10 0.29 + +++ ++ + +* peak 3139 Upper HB VAL 388 - H LEU 389 3.24 8 0.31 0.91 *+++ + + ++ peak 1130 Upper QG1 VAL 388 - H GLU 390 4.68 9 0.07 0.25 ++ +++ +++ * peak 8205 Upper QG1 VAL 388 - HG3 PRO 412 3.88 6 0.05 0.22 +++ +* + peak 3777 Upper QG2 VAL 388 - HG2 PRO 412 4.43 10 0.10 0.30 + + *+ + + +++ + peak 3149 Upper HB2 LEU 389 - H LEU 393 5.50 11 0.11 0.28 ++*++ + ++ +++ peak 1175 Upper HG LEU 389 - H GLU 390 3.93 7 0.18 0.59 + + * + + ++ peak 1145 Upper QD1 LEU 389 - HD2 PRO 412 5.50 7 0.09 0.30 + + + + + *+ peak 3775 Upper H LEU 396 - H GLN 401 5.50 16 0.17 0.23 + +++++++ +*++ ++++ peak 468 Upper QD1 LEU 396 - H ALA 402 5.50 7 0.16 0.48 + + + +* ++ peak 1212 Upper QD1 LEU 396 - H GLN 405 5.50 8 0.10 0.21 ++++ ++ * + peak 3359 Upper HD2 PRO 397 - HE21 GLN 401 5.50 20 0.14 0.17 +*++++++++++++++++++ peak 3428 Upper H GLN 401 - HE22 GLN 401 5.50 16 0.11 0.13 + +++++++ +*++ ++++ peak 482 Upper QB GLN 407 - H LEU 418 5.50 17 0.16 0.24 + ++ ++++++ ++++++*+ peak 3622 Upper H LEU 422 - QD1 LEU 422 3.37 9 0.10 0.25 + *+ ++ ++ + + peak 3995 Upper QD2 LEU 422 - H ARG 423 4.21 8 0.07 0.22 + + ++ ++ * + peak 3992 VdW HZ PHE 47 - HA VAL 388 2.00 18 0.25 0.37 ++++++++++ +++++ +*+ VdW O PRO 58 - CD2 LEU 62 2.90 12 0.14 0.27 + ++ + +*+ ++++ + VdW CD1 LEU 62 - HB2 PRO 412 2.60 12 0.20 0.29 + ++ + +++ +++* + VdW CD2 LEU 62 - HB2 PRO 412 2.60 8 0.14 0.38 + + ++ ++ + * VdW H GLN 64 - HG2 GLN 64 1.95 7 0.18 0.24 +* + + + + + VdW HA LEU 65 - CD1 LEU 65 2.60 11 0.16 0.34 + + +++ + + ++*+ VdW CG GLU 67 - C GLU 67 2.90 20 0.24 0.24 ++++++++++++++++++*+ VdW HA LEU 68 - CD1 LEU 68 2.60 11 0.14 0.28 + ++ ++ + ++* ++ VdW CG TRP 72 - C TRP 72 2.90 11 0.20 0.24 *++++ + + +++ + VdW CD1 TRP 72 - C TRP 72 3.10 6 0.18 0.25 + ++ + *+ VdW O LEU 73 - C ARG 74 2.80 8 0.19 0.29 + ++ ++ * + + VdW O LEU 84 - CD2 LEU 87 2.90 6 0.12 0.48 + +* + + + VdW HA VAL 88 - HZ PHE 347 2.00 18 0.26 0.37 + ++++*+++ +++++++++ VdW CG1 VAL 88 - C VAL 88 2.90 8 0.14 0.27 + + ++ * + ++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 20 0.26 0.33 ++++++++++*+++++++++ VdW CG2 ILE 100 - C ILE 100 2.90 20 0.23 0.25 ++++*+++++++++++++++ VdW HB2 PRO 112 - CD1 LEU 362 2.60 9 0.18 0.27 +++ * + + ++ + VdW HB2 PRO 112 - CD2 LEU 362 2.60 10 0.17 0.37 + + *+ + + ++++ VdW H LEU 118 - CG LEU 118 2.55 9 0.18 0.26 + ++ ++ * + ++ VdW O PRO 358 - CD2 LEU 362 2.90 10 0.12 0.27 +++ ++ + + +* + VdW H GLN 364 - CG GLN 364 2.55 6 0.18 0.32 ++ * + + + VdW H GLN 364 - HG2 GLN 364 1.95 10 0.20 0.25 +*++ ++ + ++ + VdW CG GLU 367 - C GLU 367 2.90 20 0.23 0.24 ++++++++++++++*+++++ VdW HA LEU 368 - CD1 LEU 368 2.60 9 0.11 0.28 + * ++ ++ ++ + VdW CG TRP 372 - C TRP 372 2.90 14 0.20 0.24 *+++++ +++ +++++ VdW O LEU 373 - C ARG 374 2.80 13 0.22 0.30 ++++++ +*++++ + VdW CG1 VAL 377 - C VAL 377 2.90 7 0.08 0.22 + + * + +++ VdW CG1 VAL 388 - C VAL 388 2.90 7 0.13 0.28 + + + +* ++ VdW HB3 LEU 396 - HD2 PRO 397 2.00 19 0.27 0.33 +++++++++++++++ *+++ VdW CG2 ILE 400 - C ILE 400 2.90 20 0.23 0.24 ++++*+++++++++++++++ VdW H LEU 418 - CG LEU 418 2.55 12 0.20 0.27 +++ ++ ++++ + + * Angle PSI PRO 58 -41.00 -31.00 12 7.71 15.82 + ++ + +*+ ++++ + Angle PHI GLN 59 -77.00 -57.00 12 6.16 10.89 + ++ + +++ ++*+ + Angle PHI GLN 64 -78.00 -58.00 9 5.62 9.33 + +*+ ++ + ++ Angle PHI GLU 67 -79.00 -59.00 10 4.24 7.75 + ++ ++ +++ +* Angle PHI GLU 85 -75.00 -55.00 8 3.78 8.13 +++* + + + + Angle PSI LEU 87 -51.00 -31.00 11 6.91 14.88 * +++++ +++ + + Angle PSI VAL 88 -55.00 -35.00 6 3.57 7.02 + + * + ++ Angle PHI LEU 89 -70.00 -50.00 7 3.63 7.07 +*+ ++ + + Angle PSI PRO 97 132.20 154.90 20 19.00 24.28 ++++++++++++++*+++++ Angle PSI PRO 98 -46.00 -28.00 20 6.89 10.83 +++++++++*++++++++++ Angle PHI ILE 100 -73.00 -53.00 18 6.28 7.85 ++++++++++*+++ + +++ Angle PSI PRO 358 -41.00 -31.00 12 7.24 13.06 +*+ ++++ ++++ + Angle PHI GLN 359 -77.00 -57.00 10 5.48 10.26 +++ +* + + ++ + Angle PHI GLN 364 -78.00 -58.00 13 5.75 9.07 + * +++++ ++ + ++ + Angle PHI GLU 367 -79.00 -59.00 8 3.52 8.02 + + ++ * ++ + Angle PHI GLU 385 -75.00 -55.00 7 3.15 7.33 + ++ + * + + Angle PSI GLU 385 -54.00 -34.00 10 6.77 17.59 ++++ * + ++ ++ Angle PSI LEU 387 -51.00 -31.00 7 4.57 15.26 + + + + * ++ Angle PSI PRO 397 132.20 154.90 20 19.27 24.27 +*++++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 7.13 11.05 +*++++++++++++++++++ Angle PHI ILE 400 -73.00 -53.00 19 6.09 6.94 +++++++++++++*+ ++++ 140 violated distance constraints. 21 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.55 +/- 0.20 A (0.26..0.90 A; 20 structures) Average heavy atom RMSD to mean : 0.88 +/- 0.14 A (0.71..1.17 A; 20 structures)