Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 533.74 20 0.0673 3.39 436 231.4 0.73 82 8.5361 41.24 2 621.39 30 0.0726 3.26 450 248.7 0.80 107 9.7859 44.00 3 644.80 18 0.0719 3.09 496 281.0 0.93 11811.1580 45.91 4 649.64 24 0.0714 3.28 481 268.2 0.90 9711.9779 66.20 5 671.86 30 0.0736 3.31 515 278.9 0.88 10311.4302 62.49 6 676.22 31 0.0756 3.20 479 260.6 0.87 10010.6560 62.68 7 689.93 27 0.0743 3.10 537 286.1 0.99 11511.7795 62.68 8 695.50 27 0.0735 2.79 561 302.0 1.03 10211.5593 66.10 9 710.07 29 0.0721 2.43 600 319.9 1.02 11414.5596115.23 10 717.07 35 0.0765 3.67 523 283.8 0.96 11711.6587 79.62 11 719.70 33 0.0763 2.90 565 301.4 0.95 10710.9927 55.26 12 725.81 30 0.0771 3.55 523 286.0 0.87 10812.2311 77.99 13 758.11 30 0.0764 3.39 635 336.3 1.05 11511.4944 45.57 14 759.83 27 0.0756 3.62 609 321.3 1.11 11913.3771 69.83 15 770.63 31 0.0773 2.87 593 326.6 1.08 10711.4551 65.36 16 770.68 28 0.0769 3.20 625 330.2 1.03 12012.8543 78.14 17 771.54 28 0.0778 3.35 587 313.0 1.14 9913.1629 95.72 18 784.75 31 0.0774 3.05 627 325.2 1.01 13213.4760 53.55 19 788.81 27 0.0770 3.24 596 321.5 1.07 10915.0997106.60 20 798.51 28 0.0783 3.21 612 328.3 0.84 12314.5262 96.07 Ave 712.93 28 0.0749 3.19 553 297.5 0.96 11012.0885 69.51 +/- 65.51 4 0.0027 0.29 60 29.2 0.11 11 1.5853 20.41 Min 533.74 18 0.0673 2.43 436 231.4 0.73 82 8.5361 41.24 Max 798.51 35 0.0783 3.67 635 336.3 1.14 13215.0997115.23 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 PHE 50 - QB ALA 95 3.19 8 1.04 1.94 +++*+++ + peak 3617 QB ALA 95 - HB2 PHE 350 QG1 VAL 77 - HA ARG 108 QG1 VAL 77 - HA ARG 408 QG2 VAL 77 - HA ARG 108 QG2 VAL 77 - HA ARG 408 QQG VAL 104 - HA GLN 107 QQG VAL 104 - HA GLN 407 Upper HD3 PRO 58 - H GLN 359 4.46 18 2.52 3.35 ++++++++ +++++++*+ + peak 3654 HD3 PRO 358 - H ALA 416 HD3 PRO 58 - H ALA 416 QE PHE 347 - HD3 ARG 408 HD3 ARG 108 - QE PHE 347 HZ2 TRP 372 - HD3 ARG 408 HD3 ARG 108 - HZ2 TRP 372 HH2 TRP 372 - HD3 ARG 408 HD3 ARG 108 - HH2 TRP 372 H ILE 400 - HD3 ARG 408 HD3 ARG 108 - H ILE 400 Upper HD3 PRO 58 - H GLN 359 3.59 7 1.32 2.61 + + *++ + + peak 2933 HD3 PRO 358 - H ALA 416 HD3 PRO 58 - H ALA 416 H SER 379 - HA GLN 382 HA GLN 82 - H SER 379 Upper H GLN 59 - HD3 PRO 358 3.59 6 1.30 2.68 * + ++ ++ peak 2933 HD3 PRO 58 - H ALA 116 H ALA 116 - HD3 PRO 358 H SER 79 - HA GLN 82 H SER 79 - HA GLN 382 Upper H GLN 59 - HD3 PRO 358 4.46 18 2.62 3.39 +++++++ +++*+++++++ peak 3654 HD3 PRO 58 - H ALA 116 H ALA 116 - HD3 PRO 358 QE PHE 47 - HD3 ARG 108 QE PHE 47 - HD3 ARG 408 HZ2 TRP 72 - HD3 ARG 108 HZ2 TRP 72 - HD3 ARG 408 HH2 TRP 72 - HD3 ARG 108 HH2 TRP 72 - HD3 ARG 408 H ILE 100 - HD3 ARG 108 H ILE 100 - HD3 ARG 408 Upper HE22 GLN 59 - QD1 ILE 100 3.35 10 1.38 2.20 + +++++ + *+ + peak 1601 HE22 GLN 59 - QD1 ILE 400 QD PHE 92 - QD1 ILE 100 QD PHE 92 - QD1 ILE 400 H LEU 96 - QD1 ILE 100 H LEU 96 - QD1 ILE 400 QB ALA 55 - QB ALA 61 QB ALA 55 - QB ALA 361 QB ALA 61 - QB ALA 115 QB ALA 115 - QB ALA 361 Upper H ALA 61 - QE PHE 392 3.17 10 1.33 2.09 + + + +++ *+++ peak 1632 QE PHE 92 - H GLY 94 H GLY 94 - QE PHE 392 QE PHE 92 - H ALA 117 H ALA 117 - QE PHE 392 QB ALA 43 - HA TRP 72 HA TRP 72 - QB ALA 343 Upper H LEU 62 - QG1 VAL 88 4.21 10 1.47 2.16 ++++ * ++ ++ + peak 147 QG1 VAL 88 - H LEU 362 H LEU 62 - QD1 LEU 93 QD1 LEU 93 - H LEU 362 H LEU 62 - HB3 LEU 96 HB3 LEU 96 - H LEU 362 H ARG 48 - HA ARG 108 HA ARG 108 - H ARG 348 Upper HB2 GLN 64 - HG LEU 73 3.88 6 1.24 1.89 + + * ++ + peak 3030 HB2 GLN 64 - HG LEU 373 HG LEU 73 - HB VAL 88 HB VAL 88 - HG LEU 373 HG LEU 73 - HB2 LEU 89 HB2 LEU 89 - HG LEU 373 HG LEU 73 - HG2 PRO 97 HG2 PRO 97 - HG LEU 373 HG LEU 73 - HB VAL 119 HB VAL 119 - HG LEU 373 HG3 GLU 85 - QG1 VAL 88 QG1 VAL 88 - HG3 GLU 385 HG3 GLU 85 - HB3 LEU 96 HB3 LEU 96 - HG3 GLU 385 HG3 GLU 85 - QD1 LEU 118 QD1 LEU 118 - HG3 GLU 385 HG3 GLU 85 - QD2 LEU 118 QD2 LEU 118 - HG3 GLU 385 Upper HD2 ARG 70 - H ARG 108 4.53 10 1.81 3.24 +++++ + + +*+ peak 1306 HD2 ARG 70 - H ARG 408 QD ARG 74 - H ARG 108 QD ARG 74 - H ARG 408 HD3 PRO 75 - H ARG 108 HD3 PRO 75 - H ARG 408 HD2 ARG 78 - H VAL 119 HD2 ARG 78 - H VAL 419 HB2 PHE 92 - H VAL 119 HB2 PHE 92 - H VAL 419 HB3 PHE 92 - H VAL 119 HB3 PHE 92 - H VAL 419 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 18 1.87 2.32 + +*++ +++++++++++++ peak 214 HB3 TRP 72 - HZ3 TRP 372 Upper H LEU 73 - HD2 PRO 75 3.04 13 1.77 2.91 +++ ++* ++++++ + peak 1610 H LEU 73 - HD2 PRO 375 HD2 PRO 75 - H ARG 108 H ARG 108 - HD2 PRO 375 HD2 PRO 75 - H ARG 124 H ARG 124 - HD2 PRO 375 QG2 VAL 88 - QG2 ILE 100 QG2 VAL 88 - QG2 ILE 400 Upper HD2 PRO 75 - H ARG 108 4.06 11 1.47 3.05 +++++ + + + *++ peak 2385 HD2 PRO 75 - H ARG 408 H ARG 108 - HB3 SER 111 HB3 SER 111 - H ARG 408 H ARG 108 - HA PRO 112 HA PRO 112 - H ARG 408 HA LEU 65 - QD PHE 92 QD PHE 92 - HA LEU 365 HA LEU 65 - H LEU 96 H LEU 96 - HA LEU 365 Upper HA GLU 85 - H SER 111 3.48 12 1.52 2.33 ++ + + +++ ++++* peak 3692 HA GLU 85 - H SER 411 H SER 111 - HA GLU 114 HA GLU 114 - H SER 411 HA LEU 86 - HB2 PRO 109 HA LEU 86 - HB2 PRO 409 HA PRO 98 - HB2 PRO 109 HA PRO 98 - HB2 PRO 409 HB2 PRO 109 - HA LEU 118 HA LEU 118 - HB2 PRO 409 Upper QE PHE 92 - H ALA 361 3.17 9 1.31 2.46 +++ ++ + ++ * peak 1632 QE PHE 392 - H GLY 394 QE PHE 92 - H GLY 394 QE PHE 392 - H ALA 417 QE PHE 92 - H ALA 417 QB ALA 343 - HA TRP 372 QB ALA 43 - HA TRP 372 Upper HG LEU 118 - HA VAL 119 4.42 7 1.14 2.00 + ++ + + *+ peak 3943 HA VAL 119 - HG LEU 418 Upper H GLU 341 - HG2 PRO 409 3.39 9 1.25 2.23 ++ + + ++ + +* peak 3638 HG2 PRO 109 - H GLU 341 H ARG 370 - HG2 PRO 409 HG2 PRO 109 - H ARG 370 H LEU 373 - HG2 PRO 409 HG2 PRO 109 - H LEU 373 HG3 PRO 397 - H VAL 404 HG3 PRO 398 - H VAL 404 H VAL 404 - HG2 PRO 409 HG3 PRO 97 - H VAL 404 HG3 PRO 98 - H VAL 404 HG2 PRO 109 - H VAL 404 HD2 PRO 375 - HD2 ARG 408 HD2 ARG 108 - HD2 PRO 375 HA ILE 400 - HD2 ARG 408 HD2 ARG 108 - HA ILE 400 Upper HB2 PHE 350 - QB ALA 395 3.19 7 1.03 2.16 + + + ++ +* peak 3617 HB2 PHE 50 - QB ALA 395 QG1 VAL 377 - HA ARG 408 HA ARG 108 - QG1 VAL 377 QG2 VAL 377 - HA ARG 408 HA ARG 108 - QG2 VAL 377 QQG VAL 404 - HA GLN 407 HA GLN 107 - QQG VAL 404 Upper HA ALA 355 - QG2 THR 356 4.28 6 1.27 1.83 + + +* + + peak 2114 HA ALA 55 - QG2 THR 356 Upper HE22 GLN 359 - QD1 ILE 400 3.35 11 1.30 2.05 * +++ + +++++ + peak 1601 QD1 ILE 100 - HE22 GLN 359 QD PHE 392 - QD1 ILE 400 QD1 ILE 100 - QD PHE 392 H LEU 396 - QD1 ILE 400 QD1 ILE 100 - H LEU 396 QB ALA 355 - QB ALA 361 QB ALA 61 - QB ALA 355 QB ALA 361 - QB ALA 415 QB ALA 61 - QB ALA 415 Upper H LEU 362 - QG1 VAL 388 4.21 12 1.49 2.59 ++++ ++ +++++* peak 147 H LEU 62 - QG1 VAL 388 H LEU 362 - QD1 LEU 393 H LEU 62 - QD1 LEU 393 H LEU 362 - HB3 LEU 396 H LEU 62 - HB3 LEU 396 H ARG 348 - HA ARG 408 H ARG 48 - HA ARG 408 Upper HB2 GLN 364 - HG LEU 373 3.88 8 1.27 2.11 +* + ++ ++ + peak 3030 HG LEU 73 - HB2 GLN 364 HG LEU 373 - HB VAL 388 HG LEU 73 - HB VAL 388 HG LEU 373 - HB2 LEU 389 HG LEU 73 - HB2 LEU 389 HG LEU 373 - HG2 PRO 397 HG LEU 73 - HG2 PRO 397 HG LEU 373 - HB VAL 419 HG LEU 73 - HB VAL 419 HG3 GLU 385 - QG1 VAL 388 HG3 GLU 85 - QG1 VAL 388 HG3 GLU 385 - HB3 LEU 396 HG3 GLU 85 - HB3 LEU 396 HG3 GLU 385 - QD1 LEU 418 HG3 GLU 85 - QD1 LEU 418 HG3 GLU 385 - QD2 LEU 418 HG3 GLU 85 - QD2 LEU 418 Upper HD2 ARG 370 - H ARG 408 4.53 17 2.64 3.67 ++++++++ *+++++ +++ peak 1306 H ARG 108 - HD2 ARG 370 QD ARG 374 - H ARG 408 H ARG 108 - QD ARG 374 HD3 PRO 375 - H ARG 408 H ARG 108 - HD3 PRO 375 HD2 ARG 378 - H VAL 419 H VAL 119 - HD2 ARG 378 HB2 PHE 392 - H VAL 419 H VAL 119 - HB2 PHE 392 HB3 PHE 392 - H VAL 419 H VAL 119 - HB3 PHE 392 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 12 1.61 2.32 ++ +++*++ + + ++ peak 214 HZ3 TRP 72 - HB3 TRP 372 Upper QD2 LEU 373 - HA LEU 386 4.61 6 1.03 1.91 + + ++ * + peak 3417 QD2 LEU 73 - HA LEU 386 HB2 PRO 397 - H GLU 425 HB2 PRO 97 - H GLU 425 Upper HD2 PRO 375 - H ARG 408 4.06 16 2.18 3.20 +++++++ ++++++*++ peak 2385 H ARG 108 - HD2 PRO 375 H ARG 408 - HB3 SER 411 H ARG 108 - HB3 SER 411 H ARG 408 - HA PRO 412 H ARG 108 - HA PRO 412 HA LEU 365 - QD PHE 392 HA LEU 65 - QD PHE 392 HA LEU 365 - H LEU 396 HA LEU 65 - H LEU 396 Upper HA GLU 385 - H SER 411 3.48 7 1.24 2.61 + + + + + *+ peak 3692 H SER 111 - HA GLU 385 H SER 411 - HA GLU 414 H SER 111 - HA GLU 414 HA LEU 386 - HB2 PRO 409 HB2 PRO 109 - HA LEU 386 HA PRO 398 - HB2 PRO 409 HB2 PRO 109 - HA PRO 398 HB2 PRO 409 - HA LEU 418 HB2 PRO 109 - HA LEU 418 Upper H ILE 400 - HB3 GLN 401 2.77 7 1.32 1.62 ++ + + ++ * peak 241 HB3 GLN 401 - H ARG 403 H ILE 100 - HB3 GLN 401 H ARG 103 - HB3 GLN 401 H ARG 403 - HB VAL 404 H ARG 103 - HB VAL 404 VdW HA2 GLY 39 - CD PRO 40 2.60 12 0.18 0.28 + +++ ++ + + ++*+ VdW CG PHE 47 - C PHE 47 2.90 8 0.13 0.25 ++ ++*+ + + VdW CZ PHE 47 - HA VAL 88 2.60 7 0.16 0.64 + * +++ ++ VdW HZ PHE 47 - HA VAL 88 2.00 7 0.13 0.46 *++ ++ + + VdW CE2 PHE 47 - SG CYS 69 3.40 6 0.14 0.64 + ++ * + + VdW CD2 PHE 47 - C PHE 47 3.10 7 0.12 0.53 + ++ * + + + VdW HZ PHE 50 - HA ALA 61 2.00 6 0.10 0.31 *+ ++ ++ VdW CD1 TYR 52 - C TYR 52 3.10 8 0.16 0.58 + + + ++ +* + VdW HD1 TYR 52 - C TYR 52 2.50 7 0.15 0.56 + * + ++ + + VdW HD1 TYR 52 - N GLU 53 2.45 8 0.17 0.59 + + + ++ +* + VdW CD2 TYR 52 - C TYR 52 3.10 6 0.12 0.48 + *+ +++ VdW HD2 TYR 52 - N GLU 53 2.45 6 0.12 0.57 + ++ *++ VdW OH TYR 52 - HD3 PRO 58 2.30 9 0.21 0.63 + ++ ++* +++ VdW O GLU 53 - N THR 56 2.75 16 0.25 0.38 ++++++*++ + ++++++ VdW CG2 THR 56 - C THR 56 2.90 8 0.13 0.31 + *+++ + + + VdW C THR 56 - O GLY 57 2.80 7 0.14 0.29 + + + + +* + VdW O THR 56 - C GLY 57 2.80 7 0.12 0.30 + + + + +* + VdW O THR 56 - O GLY 57 2.60 13 0.34 0.69 ++ + ++++++++* + VdW O THR 56 - CB GLU 60 2.90 11 0.23 0.40 ++ +++ +*++ + + VdW O THR 56 - HB3 GLU 60 2.30 15 0.36 0.67 ++++++++ + +*+ ++ + VdW CB PRO 58 - HA ALA 116 2.60 6 0.12 0.64 + * + + + + VdW HB2 PRO 58 - CA ALA 116 2.60 8 0.18 0.49 +++ + + * + + VdW HB2 PRO 58 - HA ALA 116 2.00 9 0.23 0.65 + ++ +* + + + + VdW HB2 PRO 58 - CB ALA 116 2.60 8 0.19 0.62 ++ + +++ * + VdW HG2 PRO 58 - NE2 GLN 59 2.45 8 0.19 0.65 +++ + + * + + VdW O PRO 58 - CG LEU 62 2.90 10 0.21 0.65 + +++* +++++ VdW O PRO 58 - HG LEU 62 2.30 12 0.27 0.72 + ++ + *+ +++ +++ VdW O PRO 58 - CD2 LEU 62 2.90 7 0.18 0.75 + + ++*+ + VdW CB LEU 62 - HB2 PRO 112 2.60 7 0.15 0.62 ++ +*+ ++ VdW HB3 LEU 62 - HB2 PRO 112 2.00 8 0.17 0.63 ++ ++*+ + + VdW CG LEU 62 - HB2 PRO 112 2.60 7 0.15 0.58 + * + +++ + VdW CD1 LEU 62 - O PRO 112 2.90 7 0.19 0.81 ++ * + + ++ VdW CD1 LEU 62 - CB ALA 116 3.20 8 0.14 0.47 ++ + +*+ ++ VdW CD2 LEU 62 - HB2 PRO 112 2.60 9 0.20 0.75 + + + ++ * + ++ VdW O LEU 62 - N ARG 66 2.75 6 0.14 0.54 ++ * + ++ VdW O GLN 64 - CD2 LEU 68 2.90 8 0.17 0.50 + + + + *++ + VdW O LEU 65 - SG CYS 69 3.10 6 0.11 0.58 + ++ + * + VdW CB ARG 66 - HG2 PRO 112 2.60 6 0.13 0.52 + ++++ * VdW O ARG 66 - N ARG 70 2.75 6 0.14 0.39 + * + + + + VdW CG GLU 67 - C GLU 67 2.90 6 0.10 0.24 * ++ + + + VdW CA LEU 68 - CD1 LEU 68 3.00 7 0.13 0.26 + + + + + +* VdW HA LEU 68 - CD1 LEU 68 2.60 8 0.14 0.40 + + + + ++ +* VdW SG CYS 69 - H ARG 70 2.75 6 0.14 0.57 + + + ++ * VdW SG CYS 69 - CG2 VAL 88 3.40 7 0.13 0.61 + + + ++ *+ VdW O CYS 69 - C ARG 70 2.80 6 0.18 0.42 + *+ +++ VdW O CYS 69 - N TRP 72 2.75 11 0.22 0.57 ++ + + *++ ++++ VdW O CYS 69 - H TRP 72 1.80 7 0.15 0.41 + + *++ + + VdW C ARG 70 - N TRP 72 2.95 9 0.18 0.47 ++ + +++ *++ VdW C ARG 70 - H TRP 72 2.45 13 0.27 0.72 + ++ + +++ *++ +++ VdW CG TRP 72 - C TRP 72 2.90 10 0.13 0.25 + + ++ * ++ +++ VdW CB LEU 73 - H ARG 74 2.55 14 0.25 0.40 + * + +++++++++++ VdW HB3 LEU 73 - H ARG 74 1.95 6 0.12 0.45 + + + * + + VdW CD2 LEU 73 - CE MET 83 3.20 10 0.17 0.43 + +++ + + * + + + VdW O LEU 73 - CB ARG 74 2.90 8 0.18 0.59 ++ * + + ++ + VdW HA ARG 74 - CD PRO 75 2.60 9 0.13 0.31 + ++++++*+ VdW O ARG 74 - CG2 VAL 77 2.90 7 0.12 0.54 ++++*+ + VdW CB ARG 78 - N SER 79 2.85 8 0.15 0.21 + +* ++++ + VdW CB ARG 78 - H SER 79 2.55 15 0.29 0.40 ++++ ++ +*+++++ ++ VdW H LYS 80 - CG LYS 80 2.55 6 0.09 0.39 + ++ +* + VdW CA MET 83 - CE MET 83 3.20 8 0.15 0.41 ++ ++ * +++ VdW HA MET 83 - SD MET 83 2.80 8 0.21 0.70 + ++ *+ + + + VdW HA MET 83 - CE MET 83 2.60 7 0.17 0.53 + + +* + + + VdW O MET 83 - C LEU 84 2.80 9 0.18 0.45 + + + +++++* VdW O MET 83 - N LEU 86 2.75 9 0.20 0.46 + + + + ++ +*+ VdW O MET 83 - H LEU 86 1.80 7 0.15 0.44 + + + + +*+ VdW N LEU 84 - CD1 LEU 84 3.05 11 0.21 0.55 + ++ ++ + * + + ++ VdW H LEU 84 - CD1 LEU 84 2.55 9 0.24 0.74 + ++ +* + + ++ VdW H LEU 84 - CD2 LEU 84 2.55 6 0.14 0.67 + ++ + + * VdW C LEU 84 - N LEU 86 2.95 9 0.20 0.38 + ++ + + + * + + VdW C LEU 84 - H LEU 86 2.45 12 0.27 0.59 + +++ + +++++ * + VdW O LEU 84 - N LEU 86 2.75 8 0.16 0.48 + + + + + * + + VdW O LEU 84 - N VAL 88 2.75 7 0.13 0.40 + + + + ++* VdW HA GLU 85 - CB LEU 89 2.60 8 0.16 0.69 + + + ++ * ++ VdW N LEU 87 - CD2 LEU 87 3.05 7 0.17 0.51 + + +++* + VdW H LEU 87 - CD2 LEU 87 2.55 6 0.13 0.68 + ++ + +* VdW CG1 VAL 88 - N LEU 89 3.05 8 0.15 0.52 + +* + + ++ + VdW CG1 VAL 88 - CD PRO 112 3.20 8 0.17 0.67 + ++ + +++* VdW CG1 VAL 88 - CG PRO 112 3.20 6 0.15 0.75 ++ + +*+ VdW CG1 VAL 88 - HG3 PRO 112 2.60 8 0.18 0.62 ++ +++ * + + VdW CG1 VAL 88 - HD3 PRO 112 2.60 8 0.15 0.66 ++++ + *+ + VdW O GLN 91 - N ALA 95 2.75 7 0.12 0.38 + + + * + + + VdW O PHE 92 - N LEU 96 2.75 7 0.14 0.45 + + + * + + + VdW O LEU 93 - NE2 GLN 101 2.75 18 0.43 0.81 ++ *+ ++++++++++++++ VdW CB LEU 96 - HD2 PRO 97 2.60 7 0.17 0.79 + + + + *++ VdW HG LEU 96 - HD2 PRO 97 2.00 6 0.14 0.75 + + + * + + VdW CD1 LEU 96 - HD2 PRO 97 2.60 6 0.18 0.73 ++ +* + + VdW O LEU 96 - NE2 GLN 101 2.75 12 0.21 0.43 ++ ++ +++ *+++ + VdW CG PRO 97 - CG1 ILE 100 3.20 9 0.18 0.48 ++ *++ ++ ++ VdW CG PRO 97 - CD1 ILE 100 3.20 9 0.15 0.39 + + ++ *+ ++ + VdW HG2 PRO 97 - CB ILE 100 2.60 12 0.20 0.54 ++ ++++ ++ + *+ + VdW HG2 PRO 97 - HB ILE 100 2.00 9 0.21 0.74 ++ + + + + + * + VdW HG2 PRO 97 - CG1 ILE 100 2.60 17 0.34 0.57 ++++ +*++++++++ +++ VdW HG2 PRO 97 - HG13 ILE 100 2.00 9 0.15 0.54 ++ + *++ + ++ VdW HG2 PRO 97 - CD1 ILE 100 2.60 6 0.10 0.47 * + + ++ + VdW HD2 PRO 97 - CG1 ILE 100 2.60 6 0.09 0.39 *+ + + + + VdW O PRO 97 - CB GLN 101 2.90 7 0.14 0.47 ++ * + + ++ VdW O PRO 97 - CG GLN 101 2.90 12 0.39 0.87 +* ++ ++++ ++++ VdW O PRO 97 - HG2 GLN 101 2.30 11 0.33 0.86 + ++ ++++ *+++ VdW O PRO 97 - HG3 GLN 101 2.30 8 0.19 0.65 ++ +++ * ++ VdW CG2 ILE 100 - CG2 VAL 119 3.20 7 0.11 0.39 ++ + * + + + VdW O ILE 100 - N ARG 103 2.75 11 0.23 0.61 ++ + * +++ ++++ VdW H GLN 101 - CG GLN 101 2.55 7 0.13 0.36 * + + ++ + + VdW C GLN 101 - N ARG 103 2.95 6 0.11 0.40 + + + *+ + VdW C GLN 101 - H ARG 103 2.45 6 0.11 0.65 + + + *+ + VdW H VAL 104 - CG1 VAL 104 2.55 7 0.13 0.37 + + + + ++ * VdW CG2 VAL 104 - C VAL 104 2.90 6 0.13 0.30 + + + ++ * VdW C VAL 104 - H GLY 106 2.45 6 0.14 0.39 + + ++ *+ VdW O VAL 104 - N GLN 107 2.75 6 0.15 0.37 ++ + + * + VdW C GLN 107 - CD PRO 109 3.10 6 0.15 0.63 + ++ *+ + VdW C GLN 107 - HD3 PRO 109 2.50 6 0.10 0.55 * ++ + ++ VdW N ARG 108 - CD PRO 109 3.05 9 0.25 0.80 *+ +++ ++ + + VdW CG ARG 108 - O ARG 108 2.90 8 0.16 0.47 + *+ + + + + + VdW C PRO 109 - N SER 111 2.95 8 0.19 0.39 + + +*++ ++ VdW C PRO 109 - H SER 111 2.45 11 0.32 0.70 + + ++*+++++ + VdW O PRO 109 - N SER 111 2.75 11 0.26 0.70 ++++ ++++ *++ VdW O PRO 109 - CB GLU 114 2.90 6 0.09 0.42 + + + + * + VdW O PRO 109 - HB2 GLU 114 2.30 6 0.14 0.71 + ++ ++ * VdW O GLY 110 - CB SER 111 2.90 8 0.22 0.56 * ++ ++ ++ + VdW CB SER 111 - CD PRO 112 3.20 17 0.52 0.93 ++ ++++++++ +*++++ + VdW CB SER 111 - HD2 PRO 112 2.60 18 0.49 0.91 ++++++++++++ *++++ + VdW HB2 SER 111 - HD2 PRO 112 2.00 8 0.24 1.08 + + + *+++ + VdW HB3 SER 111 - CD PRO 112 2.60 10 0.35 1.05 ++++++ *+ + + VdW HB3 SER 111 - HD2 PRO 112 2.00 9 0.30 0.95 ++++++ +* + VdW HB3 SER 111 - HD3 PRO 112 2.00 6 0.16 0.91 ++ + * + + VdW O SER 111 - CB ALA 115 2.90 8 0.14 0.61 ++ + +*++ + VdW O ALA 115 - N LEU 118 2.75 9 0.15 0.38 * ++ + + + + ++ VdW O ALA 115 - HG LEU 118 2.30 11 0.24 0.64 +*+++ + + + + ++ VdW H LEU 118 - CG LEU 118 2.55 12 0.19 0.34 + + + +++ + ++* ++ VdW H LEU 118 - HG LEU 118 1.95 6 0.14 0.44 *+ + + ++ VdW CG2 VAL 119 - N ASP 120 3.05 6 0.12 0.45 + + + + + * VdW CG2 VAL 119 - H ASP 120 2.55 9 0.14 0.46 + * + ++ + + ++ VdW HA2 GLY 339 - CD PRO 340 2.60 12 0.18 0.24 *+++ + +++++++ VdW CG PHE 347 - C PHE 347 2.90 10 0.18 0.25 + + +++ +++ *+ VdW CD1 PHE 347 - C PHE 347 3.10 9 0.17 0.51 ++ + ++++ *+ VdW CE1 PHE 347 - SG CYS 369 3.40 8 0.16 0.56 + ++ +*+ + + VdW CZ PHE 347 - HB2 GLN 391 2.60 6 0.10 0.43 + + + ++* VdW HZ PHE 347 - C LEU 387 2.50 6 0.12 0.49 + + + + *+ VdW CD2 PHE 350 - N HIS 351 3.05 6 0.10 0.32 + ++ + + * VdW H TYR 352 - CB ALA 395 2.55 8 0.14 0.48 ++ + * + + ++ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.15 0.47 ++ * +++ + + VdW HD1 TYR 352 - N GLU 353 2.45 6 0.14 0.56 +* + ++ + VdW OH TYR 352 - HD3 PRO 358 2.30 9 0.19 0.65 +++ + +++ +* VdW N GLU 353 - HG2 GLU 353 2.45 9 0.15 0.45 + + ++*+ + ++ VdW CG GLU 353 - HB THR 356 2.60 6 0.11 0.42 + +*+ + + VdW O GLU 353 - N THR 356 2.75 15 0.20 0.27 + ++++ +*+++ +++++ VdW CG2 THR 356 - C THR 356 2.90 10 0.14 0.32 + +++++ + *++ VdW O THR 356 - O GLY 357 2.60 11 0.29 0.75 +* + + ++ +++++ VdW O THR 356 - CB GLU 360 2.90 12 0.21 0.43 ++++++ + ++ ++* VdW O THR 356 - HB3 GLU 360 2.30 15 0.32 0.58 + ++++++ +++ +++* + VdW CB PRO 358 - HZ PHE 392 2.60 8 0.15 0.47 + ++ + ++ * + VdW CB PRO 358 - HA ALA 416 2.60 7 0.16 0.56 + + * ++ + + VdW HB2 PRO 358 - CA ALA 416 2.60 8 0.17 0.48 ++ ++ ++ * + VdW HB2 PRO 358 - HA ALA 416 2.00 10 0.23 0.58 *++++ ++++ + VdW HB2 PRO 358 - CB ALA 416 2.60 7 0.17 0.55 + + + + ++ * VdW HG2 PRO 358 - NE2 GLN 359 2.45 7 0.15 0.49 + *++ +++ VdW O PRO 358 - N LEU 362 2.75 6 0.12 0.45 + + + * + + VdW O PRO 358 - CG LEU 362 2.90 7 0.14 0.65 +++++ + * VdW O PRO 358 - HG LEU 362 2.30 8 0.19 0.57 ++*+ ++ + + VdW O PRO 358 - CD2 LEU 362 2.90 6 0.12 0.43 ++ + ++ * VdW H GLN 359 - CG GLN 359 2.55 6 0.12 0.36 + + + + +* VdW O GLN 359 - CB ALA 363 2.90 6 0.13 0.57 + + * + + + VdW O ALA 361 - HG LEU 365 2.30 6 0.12 0.50 + + + ++* VdW N LEU 362 - CD1 LEU 362 3.05 6 0.11 0.47 + + + + + * VdW CA LEU 362 - CD1 LEU 362 3.00 6 0.07 0.26 + + * + + + VdW HA LEU 362 - HB2 LEU 365 2.00 6 0.11 0.49 +* + + + + VdW CB LEU 362 - HB2 PRO 412 2.60 6 0.12 0.50 * +++ + + VdW CG LEU 362 - HB2 PRO 412 2.60 7 0.15 0.52 +* + + + + + VdW CD1 LEU 362 - HB2 PRO 412 2.60 6 0.18 0.88 + * + ++ + VdW CD1 LEU 362 - O PRO 412 2.90 6 0.14 0.59 + + + * ++ VdW CD1 LEU 362 - CB ALA 416 3.20 8 0.13 0.39 + + + + + +* + VdW CD2 LEU 362 - CD2 PHE 392 3.20 6 0.15 0.64 + + + ++* VdW CD2 LEU 362 - HB2 PRO 412 2.60 6 0.16 0.73 + * + + + + VdW CD2 LEU 362 - O PRO 412 2.90 8 0.15 0.56 + *++ + + + + VdW H GLN 364 - CG GLN 364 2.55 6 0.10 0.37 ++ *+ ++ VdW O GLN 364 - HB2 LEU 368 2.30 6 0.13 0.48 ++ * + + + VdW O GLN 364 - CD2 LEU 368 2.90 7 0.14 0.48 + ++ + *+ + VdW HG2 ARG 366 - C ARG 366 2.50 7 0.14 0.47 +++ ++ + * VdW O ARG 366 - N ARG 370 2.75 12 0.21 0.46 ++++++ ++ * ++ + VdW O ARG 366 - CB ARG 370 2.90 7 0.19 0.65 + +++ + *+ VdW O ARG 366 - HB3 ARG 370 2.30 6 0.16 0.71 *+ + ++ + VdW CG GLU 367 - C GLU 367 2.90 8 0.15 0.24 ++++++ * + VdW O GLU 367 - CG GLN 371 2.90 8 0.16 0.43 + * + ++ + ++ VdW CA LEU 368 - CD1 LEU 368 3.00 10 0.15 0.27 ++ +++ ++ ++ * VdW HA LEU 368 - CD1 LEU 368 2.60 12 0.19 0.39 ++ ++++ ++ +++* VdW SG CYS 369 - HB2 LEU 387 2.80 6 0.17 0.67 ++ * + + + VdW C CYS 369 - N GLN 371 2.95 7 0.13 0.28 + ++ * + ++ VdW O CYS 369 - N GLN 371 2.75 7 0.14 0.40 + + * + ++ + VdW O CYS 369 - N TRP 372 2.75 8 0.15 0.34 + + + *++ ++ VdW O CYS 369 - CD1 TRP 372 2.90 7 0.14 0.47 ++ *++ + + VdW C ARG 370 - H TRP 372 2.45 6 0.15 0.58 + * + + + + VdW CG TRP 372 - C TRP 372 2.90 7 0.09 0.25 + * ++ +++ VdW CZ2 TRP 372 - CD1 LEU 387 3.20 7 0.13 0.54 + ++++ * + VdW HZ2 TRP 372 - CG LEU 387 2.60 6 0.12 0.49 +++ *+ + VdW HZ2 TRP 372 - CD1 LEU 387 2.60 8 0.16 0.56 ++++* + + + VdW CB LEU 373 - H ARG 374 2.55 7 0.16 0.40 * +++ + ++ VdW CD1 LEU 373 - HA LEU 384 2.60 6 0.12 0.52 + + + + + * VdW CD2 LEU 373 - CD2 LEU 387 3.20 6 0.11 0.46 ++ +* + + VdW C LEU 373 - CD PRO 375 3.10 8 0.17 0.67 +*+ +++ + + VdW C LEU 373 - HD2 PRO 375 2.50 7 0.18 0.63 ++ + * + + + VdW O LEU 373 - CB ARG 374 2.90 9 0.26 0.59 + +++ ++ + + * VdW O LEU 373 - HB2 ARG 374 2.30 7 0.18 0.72 + * + + + + + VdW O LEU 373 - C ARG 374 2.80 6 0.12 0.48 + +* + ++ VdW N ARG 374 - CD PRO 375 3.05 10 0.26 0.78 + +*+ +++ + ++ VdW N ARG 374 - HD2 PRO 375 2.45 9 0.22 0.69 + +*+ +++ + + VdW CB ARG 374 - CD PRO 375 3.20 6 0.17 0.67 +++ + *+ VdW N VAL 377 - CG2 VAL 377 2.85 6 0.12 0.24 + ++ + *+ VdW CB ARG 378 - H SER 379 2.55 9 0.18 0.40 + + + +* + + ++ VdW O SER 379 - N MET 383 2.75 6 0.10 0.49 * + + + ++ VdW O MET 383 - C LEU 384 2.80 8 0.18 0.48 ++ *++ + ++ VdW O MET 383 - N GLU 385 2.75 7 0.18 0.79 +++ * + + + VdW O MET 383 - N LEU 386 2.75 12 0.23 0.58 + ++ +++* + ++ ++ VdW O MET 383 - H LEU 386 1.80 7 0.17 0.55 ++ +* + + + VdW H LEU 384 - CD2 LEU 384 2.55 7 0.13 0.50 + + +* + + + VdW C LEU 384 - N LEU 386 2.95 10 0.16 0.33 ++++ + + + *+ + VdW C LEU 384 - H LEU 386 2.45 10 0.20 0.49 ++ + + + ++ *++ VdW O LEU 384 - N LEU 386 2.75 7 0.14 0.42 * + + + ++ + VdW O LEU 384 - N VAL 388 2.75 8 0.15 0.41 ++ +* + + + + VdW HA GLU 385 - HB2 LEU 389 2.00 8 0.17 0.53 + + + + ++ + * VdW N LEU 387 - CD1 LEU 387 3.05 7 0.12 0.48 +++ ++ * + VdW N LEU 387 - HD21 LEU 387 2.45 6 0.12 0.66 + * + ++ + VdW H LEU 387 - CD2 LEU 387 2.55 8 0.17 0.65 ++++++ * + VdW H LEU 387 - HD21 LEU 387 1.95 6 0.16 0.61 + + + ++ * VdW CD2 LEU 387 - H VAL 388 2.55 7 0.18 0.90 + ++ + ++ * VdW CG1 VAL 388 - C VAL 388 2.90 6 0.09 0.33 * + + + + + VdW CG1 VAL 388 - CG PRO 412 3.20 11 0.25 0.52 + +*+ + +++++ + VdW CG1 VAL 388 - HG3 PRO 412 2.60 8 0.20 0.71 + + + +++*+ VdW HG13 VAL 388 - HG3 PRO 412 2.00 8 0.15 0.60 + * +++++ + VdW O VAL 388 - N GLN 391 2.75 7 0.14 0.49 + + ++ +* + VdW HA LEU 389 - CD1 LEU 389 2.60 8 0.14 0.38 + + + + + + + * VdW O GLN 391 - N ALA 395 2.75 7 0.15 0.49 + +*+ + ++ VdW O GLN 391 - CB ALA 395 2.90 7 0.14 0.49 ++++ * + + VdW O PHE 392 - HG LEU 396 2.30 6 0.11 0.47 + * + + ++ VdW O LEU 393 - NE2 GLN 401 2.75 17 0.42 0.74 ++++++ +++++++* +++ VdW CD2 LEU 396 - HD2 PRO 397 2.60 6 0.14 0.50 * + + +++ VdW O LEU 396 - NE2 GLN 401 2.75 9 0.22 0.60 + + *+++ +++ VdW CG PRO 397 - HB ILE 400 2.60 6 0.15 0.51 ++ + + *+ VdW CG PRO 397 - CG1 ILE 400 3.20 6 0.16 0.47 + * + + ++ VdW CG PRO 397 - CD1 ILE 400 3.20 7 0.13 0.46 + ++ + + +* VdW HG2 PRO 397 - CB ILE 400 2.60 13 0.25 0.47 +++++ ++ ++*++ + VdW HG2 PRO 397 - HB ILE 400 2.00 12 0.27 0.64 +++++ ++ +++* + VdW HG2 PRO 397 - CG1 ILE 400 2.60 14 0.29 0.58 + +*+ + +++++ ++++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 7 0.13 0.52 + ++ ++* + VdW HG2 PRO 397 - CD1 ILE 400 2.60 6 0.12 0.44 + ++ * ++ VdW O PRO 397 - N GLN 401 2.75 7 0.10 0.31 + + * ++++ VdW O PRO 397 - CB GLN 401 2.90 9 0.21 0.67 ++ + * + ++++ VdW O PRO 397 - CG GLN 401 2.90 10 0.29 0.91 +++ + ++ *++ + VdW O PRO 397 - HG2 GLN 401 2.30 10 0.31 0.95 +++ + +* +++ + VdW O PRO 397 - HG3 GLN 401 2.30 6 0.10 0.59 + + *++ + VdW HA ILE 400 - CD2 LEU 422 2.60 7 0.11 0.38 * + + + ++ + VdW CG2 ILE 400 - CG1 VAL 419 3.20 8 0.13 0.45 ++ + * +++ + VdW CG1 ILE 400 - N GLN 401 3.05 6 0.08 0.33 * ++ + ++ VdW O ILE 400 - N ARG 403 2.75 8 0.17 0.47 *+ + + +++ + VdW H VAL 404 - CG1 VAL 404 2.55 7 0.13 0.38 + +++ * ++ VdW HA VAL 404 - NE2 GLN 407 2.45 6 0.11 0.31 +* + ++ + VdW CG2 VAL 404 - C VAL 404 2.90 6 0.14 0.30 + +++ * + VdW C ARG 408 - H GLY 410 2.45 8 0.14 0.37 + + + ++ + *+ VdW C PRO 409 - H SER 411 2.45 7 0.15 0.56 + * + + + ++ VdW O PRO 409 - C GLY 410 2.80 8 0.13 0.30 + + ++ +* + + VdW O PRO 409 - N SER 411 2.75 6 0.15 0.41 + + *+ + + VdW O PRO 409 - HB2 GLU 414 2.30 9 0.16 0.50 *+++ + + +++ VdW O GLY 410 - CB SER 411 2.90 10 0.23 0.53 + + *+ + ++++ + VdW CB SER 411 - CD PRO 412 3.20 19 0.47 0.84 +++++++ +++++++*++++ VdW CB SER 411 - HD2 PRO 412 2.60 19 0.51 0.83 +++++++ +++++*++++++ VdW HB2 SER 411 - HD2 PRO 412 2.00 12 0.24 0.59 +++++*+ + + + + + VdW HB3 SER 411 - CD PRO 412 2.60 6 0.19 0.77 + ++ * + + VdW HB3 SER 411 - HD2 PRO 412 2.00 10 0.25 0.67 + ++ ++++* ++ VdW O ALA 415 - HG LEU 418 2.30 8 0.16 0.55 + ++ + + + +* VdW H LEU 418 - CG LEU 418 2.55 11 0.17 0.35 +++* + +++ +++ VdW H LEU 418 - HG LEU 418 1.95 7 0.13 0.29 ++ + + + *+ VdW O LEU 418 - N LEU 422 2.75 6 0.13 0.39 + * + + ++ VdW O LEU 418 - HB3 LEU 422 2.30 7 0.12 0.38 * + + + ++ + VdW CG2 VAL 419 - N ASP 420 3.05 7 0.12 0.34 + +*+ + + + VdW CG2 VAL 419 - H ASP 420 2.55 10 0.18 0.44 + ++++ + + +* + VdW O VAL 419 - HG LEU 422 2.30 6 0.12 0.28 ++ + + * + Angle PHI ARG 44 -71.00 -51.00 6 2.59 10.39 +* + + + + Angle PSI ARG 44 -54.00 -34.00 12 7.22 16.97 + + +++++ *++++ Angle PSI ARG 46 -48.00 -28.00 7 4.86 23.32 + + + ++ * + Angle PSI PHE 47 -49.00 -29.00 17 13.95 43.30 ++++++++ ++++++ *++ Angle PHI ARG 48 -91.00 -61.00 8 6.54 53.55 + + ++ + + + * Angle PSI CYS 49 -51.00 -5.00 11 8.09 23.09 ++ ++ + + + +* ++ Angle PSI PHE 50 120.00 140.00 10 6.62 28.69 ++++ +* ++ + + Angle PHI HIS 51 -128.00 -90.00 9 5.07 20.32 + + + + * ++++ Angle PSI HIS 51 99.00 143.00 6 4.57 21.93 + *+ + ++ Angle PHI TYR 52 -106.00 -68.00 7 4.08 17.03 + +++* + + Angle PSI TYR 52 120.00 140.00 11 5.11 15.08 + ++++++*+ ++ Angle PHI GLU 54 -70.00 -50.00 6 3.58 10.18 + * + + + + Angle PSI ALA 55 -50.00 -30.00 8 4.09 15.91 ++ * + + +++ Angle PSI PRO 58 -41.00 -31.00 17 10.43 26.97 ++++ +++++++*++ + ++ Angle PHI GLN 59 -77.00 -57.00 9 6.05 24.15 + + ++++*+ + Angle PSI GLN 59 -46.00 -26.00 9 5.16 15.05 ++ + + + * +++ Angle PHI GLU 60 -75.00 -55.00 6 4.65 21.58 + ++ + *+ Angle PHI ALA 63 -76.00 -56.00 18 13.97 31.23 +++++++ ++++*+++ +++ Angle PHI GLN 64 -78.00 -58.00 16 10.94 28.97 + ++++++++++* +++ + Angle PHI LEU 65 -71.00 -51.00 6 6.26 38.38 * ++ ++ + Angle PSI LEU 65 -52.00 -32.00 15 9.51 22.27 +++++++* ++ + + ++ + Angle PHI ARG 66 -76.00 -56.00 8 5.57 25.93 + *+ + + + + + Angle PSI ARG 66 -50.00 -30.00 6 4.70 29.01 ++ * +++ Angle PHI GLU 67 -79.00 -59.00 12 6.23 15.77 * ++++++++ +++ Angle PSI GLU 67 -50.00 -30.00 11 8.05 27.77 ++ ++ * + + + +++ Angle PHI LEU 68 -74.00 -54.00 12 9.59 25.40 + +++ ++*++ + ++ Angle PSI LEU 68 -52.00 -32.00 6 4.91 27.78 + +*+ + + Angle PHI CYS 69 -76.00 -56.00 14 13.28 35.38 + ++++ + ++*+++++ Angle PSI CYS 69 -50.00 -30.00 13 9.70 28.47 + + ++++++*++ ++ Angle PHI ARG 70 -73.00 -53.00 19 16.51 69.83 +++ +++++++++*++++++ Angle PHI GLN 71 -76.00 -56.00 10 7.85 39.05 + ++++++ + * + Angle PSI GLN 71 -47.00 -17.00 9 9.83 33.75 ++++*++++ Angle PHI GLU 76 -78.00 -58.00 13 15.92 55.78 ++*+++ + + +++ ++ Angle PSI GLU 76 -40.00 -6.00 11 6.89 32.47 + ++ ++ + + + ++* Angle PHI VAL 77 -118.00 -86.00 13 8.44 35.49 + +++* + + ++++++ Angle PSI VAL 77 -29.00 -5.00 9 6.73 19.94 ++++ * + +++ Angle PHI SER 79 -113.00 -71.00 10 6.57 29.65 ++ + ++ ++ ++ * Angle PSI SER 79 155.00 175.00 10 7.77 21.43 + ++*+ + ++++ Angle PHI LYS 80 -69.00 -49.00 9 7.14 30.07 ++++* ++ + + Angle PSI LYS 80 -48.00 -28.00 8 5.53 24.84 * +++ ++ ++ Angle PHI GLU 81 -73.00 -53.00 12 11.11 32.77 +++ ++ + ++ + *++ Angle PSI GLU 81 -50.00 -30.00 14 11.84 36.39 ++ +++ +++*+++ ++ Angle PHI GLN 82 -76.00 -56.00 15 11.42 31.89 +++++++++*++ +++ Angle PSI GLN 82 -48.00 -28.00 10 7.85 31.86 + + +*+ + + + ++ Angle PHI MET 83 -75.00 -55.00 15 17.53 52.74 +++ + *+ +++++++++ Angle PSI MET 83 -52.00 -32.00 17 21.98 55.26 +++++ ++*+++++++++ Angle PHI LEU 84 -73.00 -53.00 16 14.16 41.44 +++ ++++++ + +++++* Angle PSI LEU 84 -52.00 -32.00 9 7.26 31.19 + + + + +* ++ + Angle PHI GLU 85 -75.00 -55.00 11 5.83 30.73 + +++ + + + *+++ Angle PSI GLU 85 -54.00 -34.00 19 20.43 37.02 ++++++++ ++++++*++++ Angle PHI LEU 86 -74.00 -54.00 11 8.37 28.47 ++ + *+ + ++ + ++ Angle PHI LEU 87 -77.00 -57.00 18 37.74 71.72 ++++++++ *++++++ +++ Angle PSI LEU 87 -51.00 -31.00 9 16.15 95.72 ++ + + + ++ +* Angle PHI VAL 88 -78.00 -58.00 10 9.12 36.39 + ++ + +* + +++ Angle PSI VAL 88 -55.00 -35.00 12 10.98 40.13 + + ++*++ ++++ + Angle PHI LEU 89 -70.00 -50.00 9 8.01 41.00 + + ++*+ + + + Angle PSI LEU 89 -57.00 -37.00 9 4.89 12.20 + + + + +*+ ++ Angle PHI GLU 90 -73.00 -53.00 9 12.56 115.23 ++ + +* +++ + Angle PSI GLU 90 -52.00 -32.00 7 4.85 27.62 ++ * ++ + + Angle PHI GLN 91 -74.00 -54.00 17 13.57 28.09 ++++ +++*+++++++ ++ Angle PSI GLN 91 -46.00 -26.00 14 14.24 42.32 ++ +++ +++++*+ + + Angle PHI PHE 92 -74.00 -54.00 8 5.03 14.84 ++ + +* + ++ Angle PSI PHE 92 -55.00 -35.00 13 9.57 23.71 +++ + ++ ++*+ +++ Angle PSI PRO 97 132.20 154.90 9 5.88 20.67 ++ ++++* + + Angle PSI PRO 98 -46.00 -28.00 13 14.47 43.06 ++ ++++ +++ *+ ++ Angle PHI GLU 99 -76.00 -56.00 12 15.76 45.51 +++ +++++ + + * + Angle PSI GLU 99 -47.00 -27.00 9 5.73 15.15 + + + + +* + ++ Angle PHI ILE 100 -73.00 -53.00 20 25.08 40.91 ++++++++++*+++++++++ Angle PSI ILE 100 -52.00 -32.00 12 9.58 23.16 ++ +++ + ++ + +* + Angle PHI GLN 101 -71.00 -51.00 14 11.01 47.31 ++++++++ + ++ +*+ Angle PSI GLN 101 -51.00 -31.00 6 3.12 13.09 + *++ + + Angle PHI ALA 102 -72.00 -52.00 7 3.84 10.86 ++ + * + + + Angle PSI ALA 102 -51.00 -31.00 16 9.44 32.88 ++ +++++ + + +++*+++ Angle PHI ARG 103 -73.00 -53.00 11 8.56 20.87 + ++* ++ +++ ++ Angle PSI ARG 103 -53.00 -33.00 13 11.38 30.76 ++++++ + + + *+++ Angle PHI VAL 104 -77.00 -57.00 9 4.14 11.71 ++ +++ +*+ + Angle PHI GLN 105 -72.00 -52.00 8 4.83 18.08 *++ + + + + + Angle PSI GLN 105 -52.00 -30.00 14 8.87 19.32 + ++++ ++*+++++ + Angle PHI GLY 106 -79.00 -59.00 8 6.09 22.65 + + ++ + + * + Angle PHI GLY 110 58.00 92.00 11 8.82 27.25 +* + ++ ++ ++ + + Angle PSI GLY 110 -10.00 46.00 9 7.40 18.83 ++ + + + ++ +* Angle PSI PRO 112 -44.00 -28.00 13 10.51 33.41 +++++ ++ ++ *+ + + Angle PHI GLU 113 -75.00 -55.00 11 7.67 20.54 *++++ + + + +++ Angle PSI GLU 113 -51.00 -31.00 7 5.66 26.18 + ++ *+++ Angle PHI GLU 114 -74.00 -54.00 10 13.05 65.36 + ++ ++ ++* + + Angle PSI GLU 114 -54.00 -34.00 12 6.32 25.85 ++++ ++ + +*+++ Angle PHI ALA 115 -76.00 -56.00 11 6.53 19.04 + + ++ +* +++ ++ Angle PHI ALA 116 -73.00 -53.00 15 10.11 25.25 +* ++ + +++++++++ + Angle PHI ARG 344 -71.00 -51.00 6 3.55 11.47 + + ++ + * Angle PSI ARG 344 -54.00 -34.00 12 6.13 19.71 * +++++ + + ++++ Angle PSI LEU 345 -52.00 -32.00 6 2.78 8.49 * + ++ ++ Angle PSI ARG 346 -48.00 -28.00 11 4.92 14.47 ++ + + + ++ +++ * Angle PSI PHE 347 -49.00 -29.00 16 14.30 46.84 ++++++++ + +++ +++ * Angle PSI CYS 349 -51.00 -5.00 16 9.87 29.98 ++++++ +++++ ++++ * Angle PSI PHE 350 120.00 140.00 11 6.48 23.36 ++ + +++ +++ +* Angle PHI HIS 351 -128.00 -90.00 6 4.16 20.27 + + + ++* Angle PHI TYR 352 -106.00 -68.00 6 5.31 35.79 ++ + + + * Angle PHI ALA 355 -80.00 -58.00 6 5.03 16.51 ++ ++ + * Angle PSI THR 356 -15.00 15.00 9 5.12 20.24 + + *+ + ++ + + Angle PSI PRO 358 -41.00 -31.00 13 9.04 20.43 + +++ +++ +++++* Angle PHI GLN 359 -77.00 -57.00 9 6.57 23.67 + + ++++ +*+ Angle PSI GLN 359 -46.00 -26.00 6 2.41 7.72 + * + + + + Angle PHI GLU 360 -75.00 -55.00 6 3.69 14.48 * + + +++ Angle PHI ALA 363 -76.00 -56.00 18 12.01 23.34 +*++++++ ++++++++ ++ Angle PHI GLN 364 -78.00 -58.00 13 8.68 20.74 ++++ + + ++ ++ +* + Angle PSI LEU 365 -52.00 -32.00 12 5.52 10.09 +*+ ++ +++ + +++ Angle PSI ARG 366 -50.00 -30.00 9 7.59 33.79 + ++++ ++ *+ Angle PHI GLU 367 -79.00 -59.00 10 9.44 34.88 + + + +*+ ++ ++ Angle PSI GLU 367 -50.00 -30.00 10 5.75 18.37 *+++++ + + + + Angle PHI LEU 368 -74.00 -54.00 14 8.29 25.81 +*++++ + ++++ + ++ Angle PSI LEU 368 -52.00 -32.00 6 5.34 46.47 + + + ++ * Angle PHI CYS 369 -76.00 -56.00 15 11.21 28.65 ++++++ ++++ +++ +* Angle PSI CYS 369 -50.00 -30.00 6 3.60 14.92 + +* + + + Angle PHI ARG 370 -73.00 -53.00 18 11.20 23.84 +++++++++++++ +++ +* Angle PSI ARG 370 -51.00 -31.00 6 3.17 11.02 ++ + ++ * Angle PHI GLN 371 -76.00 -56.00 14 8.13 16.02 + *+++++++ + + +++ Angle PSI GLN 371 -47.00 -17.00 6 4.63 26.38 + + + + *+ Angle PHI GLU 376 -78.00 -58.00 17 22.85 58.28 ++ *+++ + ++++++++++ Angle PSI GLU 376 -40.00 -6.00 15 17.55 43.82 + ++++++ ++*++ +++ Angle PHI VAL 377 -118.00 -86.00 14 12.27 29.59 ++* + ++ ++++++++ Angle PSI VAL 377 -29.00 -5.00 16 15.34 66.20 +++*+++ ++++++++ + Angle PHI SER 379 -113.00 -71.00 8 6.57 31.90 + +* + + + + + Angle PSI SER 379 155.00 175.00 11 17.66 79.62 + + ++ ++* + + + + Angle PHI LYS 380 -69.00 -49.00 8 6.22 22.16 + + + ++ *+ + Angle PSI LYS 380 -48.00 -28.00 6 7.71 59.97 + + * + + + Angle PHI GLU 381 -73.00 -53.00 16 19.53 43.09 +++++*+ ++++++ +++ Angle PSI GLU 381 -50.00 -30.00 16 20.07 48.09 ++++++++ ++ +++* ++ Angle PHI GLN 382 -76.00 -56.00 15 16.25 62.68 ++++ *++ ++ ++++ + + Angle PSI GLN 382 -48.00 -28.00 12 13.25 42.91 + +*+ + ++ +++ ++ Angle PHI MET 383 -75.00 -55.00 17 21.83 77.99 +++++++ ++*++ +++++ Angle PSI MET 383 -52.00 -32.00 14 23.00 78.14 +++++ ++ + ++*+ ++ Angle PHI LEU 384 -73.00 -53.00 14 17.01 58.75 + +* ++++ +++++ ++ Angle PSI LEU 384 -52.00 -32.00 9 5.15 17.20 * + ++++ + + + Angle PHI GLU 385 -75.00 -55.00 9 5.82 18.94 + + ++ ++ ++ * Angle PSI GLU 385 -54.00 -34.00 17 18.02 30.95 +++++++ ++++++++* + Angle PHI LEU 386 -74.00 -54.00 15 11.10 49.11 + ++ +++ + +++++ +*+ Angle PHI LEU 387 -77.00 -57.00 20 30.68 50.12 +++++++++++++*++++++ Angle PSI LEU 387 -51.00 -31.00 13 17.50 65.20 + ++ +++++ + + + +* Angle PHI VAL 388 -78.00 -58.00 13 10.53 48.52 ++++ + + ++ +++ +* Angle PSI VAL 388 -55.00 -35.00 11 13.27 66.10 + + ++ * + + + + ++ Angle PHI LEU 389 -70.00 -50.00 6 7.73 61.38 + ++ + *+ Angle PSI LEU 389 -57.00 -37.00 8 6.88 48.92 ++ *+ + + ++ Angle PHI GLU 390 -73.00 -53.00 8 10.46 75.28 + +++ + + *+ Angle PSI GLU 390 -52.00 -32.00 9 5.09 17.97 ++ + ++* + + + Angle PHI GLN 391 -74.00 -54.00 17 17.03 106.60 +++++++ ++ +++ +++*+ Angle PSI GLN 391 -46.00 -26.00 17 10.45 29.19 +++++ ++++++ ++*+++ Angle PHI PHE 392 -74.00 -54.00 6 4.46 27.73 + + + ++ * Angle PSI PHE 392 -55.00 -35.00 10 7.14 28.88 +*+++ + + +++ Angle PSI PRO 397 132.20 154.90 14 7.87 16.34 ++++* +++ + ++++ + Angle PSI PRO 398 -46.00 -28.00 16 15.26 31.16 +++++ ++ ++* ++ ++++ Angle PHI GLU 399 -76.00 -56.00 18 19.45 38.19 ++++ +++++++ +*+++++ Angle PSI GLU 399 -47.00 -27.00 7 4.08 13.73 ++ + ++ * + Angle PHI ILE 400 -73.00 -53.00 20 24.22 40.87 ++++++++++*+++++++++ Angle PSI ILE 400 -52.00 -32.00 9 8.46 26.36 +++ ++ ++* + Angle PHI GLN 401 -71.00 -51.00 16 7.69 15.19 ++++ + +++ ++*+++++ Angle PHI ALA 402 -72.00 -52.00 6 3.29 9.60 * + +++ + Angle PSI ALA 402 -51.00 -31.00 17 9.44 29.15 *+++ ++ +++ ++++++++ Angle PHI ARG 403 -73.00 -53.00 11 8.15 26.36 +++ + +++ +++ * Angle PSI ARG 403 -53.00 -33.00 14 11.07 23.40 ++++ + +++++++ +* Angle PHI VAL 404 -77.00 -57.00 8 4.80 12.54 + * + ++ + + + Angle PHI GLN 405 -72.00 -52.00 6 2.83 11.09 * + + + ++ Angle PSI GLN 405 -52.00 -30.00 11 7.55 29.88 + ++ +++++ ++* Angle PHI GLY 406 -79.00 -59.00 6 3.00 14.77 + ++* + + Angle PHI GLY 410 58.00 92.00 13 12.97 28.21 + + +++ + +*+++ + + Angle PSI PRO 412 -44.00 -28.00 8 8.35 44.74 ++ + + + + + * Angle PHI GLU 413 -75.00 -55.00 13 8.96 37.77 ++++ + +++++ ++* Angle PHI GLU 414 -74.00 -54.00 10 8.69 39.44 + +++ + + + ++* Angle PSI GLU 414 -54.00 -34.00 12 6.63 17.88 ++ +++ *+++++ + Angle PHI ALA 416 -73.00 -53.00 14 8.89 17.66 ++++++ *++ +++ ++ Angle PSI VAL 419 -53.00 -33.00 7 4.62 11.77 + + *+ ++ + 28 violated distance constraints. 170 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 3.02 +/- 1.66 A (1.61..9.17 A; 20 structures) Average heavy atom RMSD to mean : 3.54 +/- 1.61 A (2.21..9.48 A; 20 structures)