Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 473.24 12 0.0634 2.03 344 210.2 0.75 80 7.0802 41.00 2 640.44 15 0.0695 2.38 539 293.8 0.95 11811.4919 55.41 3 669.31 18 0.0740 5.77 493 272.5 0.98 96 9.6956 47.76 4 739.90 20 0.0742 3.92 660 349.8 1.01 12310.8363 54.49 5 748.12 19 0.0713 2.42 700 369.5 1.44 11813.6404 50.73 6 775.21 19 0.0733 3.92 666 352.9 1.04 11213.7141 77.55 7 787.48 22 0.0764 4.76 654 349.3 1.01 12311.8726 43.33 8 792.31 30 0.0774 4.75 648 351.0 0.99 11810.7888 33.91 9 797.64 26 0.0770 2.36 708 373.7 0.95 10410.1289 42.79 10 799.99 26 0.0771 4.79 659 354.9 1.00 12311.7432 48.37 11 802.09 30 0.0789 5.01 662 350.0 1.05 11810.6048 40.20 12 805.05 25 0.0771 4.53 709 371.4 1.07 12611.3142 42.02 13 814.04 33 0.0813 4.52 603 322.6 1.04 104 9.5175 35.60 14 816.34 30 0.0785 2.65 691 358.6 0.83 12813.3237 85.97 15 823.32 22 0.0759 4.39 694 359.9 1.00 13214.5979 69.30 16 826.03 27 0.0759 3.09 679 360.6 1.00 12116.0261 79.57 17 830.19 28 0.0792 4.62 651 346.3 0.87 12012.5307 92.26 18 832.48 26 0.0794 5.22 705 366.1 1.00 11811.1351 39.35 19 833.09 30 0.0812 5.58 659 345.4 1.17 107 9.8932 42.87 20 835.68 28 0.0787 4.52 718 375.2 1.01 11811.9917 55.89 Ave 772.10 24 0.0760 4.06 642 341.7 1.01 11511.5963 53.92 +/- 85.71 6 0.0041 1.13 88 39.2 0.13 12 1.9660 17.08 Min 473.24 12 0.0634 2.03 344 210.2 0.75 80 7.0802 33.91 Max 835.68 33 0.0813 5.77 718 375.2 1.44 13216.0261 92.26 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG2 GLU 41 - HB ILE 100 3.54 17 3.44 5.52 + ++ ++++++++ ++++*+ peak 2813 HG2 GLU 41 - HB ILE 400 HB VAL 88 - HB ILE 100 HB VAL 88 - HB ILE 400 QG GLU 99 - HB ILE 400 HA HIS 51 - HD2 ARG 78 HA HIS 51 - HD2 ARG 378 Upper QE PHE 47 - H ARG 74 3.81 7 1.12 1.77 ++ + +++ * peak 8265 H TRP 72 - H ARG 74 H TRP 72 - H ARG 374 HZ2 TRP 72 - H ARG 74 HZ2 TRP 72 - H ARG 374 H ARG 74 - H ILE 100 H ILE 100 - H ARG 374 H ARG 74 - H ARG 103 H ARG 103 - H ARG 374 HB2 PRO 112 - QD1 LEU 362 Upper H ARG 48 - HA ARG 108 3.66 10 1.55 2.37 +++ + + ++ ++ * peak 3691 H ARG 48 - HA ARG 408 H ARG 74 - HA ARG 108 H ARG 74 - HA ARG 408 HA LEU 86 - HB3 PRO 109 HA LEU 86 - HB3 PRO 409 HA PRO 98 - HB3 PRO 109 HA PRO 98 - HB3 PRO 409 HB3 PRO 109 - HA LEU 118 HA LEU 118 - HB3 PRO 409 Upper H ARG 48 - HB3 ARG 108 4.10 7 1.33 3.92 + * + ++ + + peak 8251 H ARG 48 - HB3 ARG 408 H ARG 74 - HB3 ARG 108 H ARG 74 - HB3 ARG 408 HB3 LEU 73 - HG2 GLU 113 HB3 LEU 73 - HG2 GLU 413 QD1 LEU 96 - HG2 GLU 113 QD1 LEU 96 - HG2 GLU 413 Upper HA GLU 54 - HA THR 56 4.18 17 1.50 1.82 + +* ++++++++ ++++++ peak 2327 HA GLU 54 - HA THR 356 HA THR 56 - HD3 PRO 58 HD3 PRO 58 - HA THR 356 HG2 GLN 64 - HB3 LEU 73 HB3 LEU 73 - HG2 GLN 364 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 11 1.59 2.41 + + + +++++ +*+ peak 212 HB2 TRP 72 - HZ3 TRP 372 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 7 1.20 2.30 ++ + * + ++ peak 214 HB3 TRP 72 - HZ3 TRP 372 Upper HB3 LEU 73 - H VAL 119 4.18 8 1.34 2.19 ++ + +++ * + peak 2338 HB3 LEU 73 - H VAL 419 QD1 LEU 96 - H VAL 119 QD1 LEU 96 - H VAL 419 HG2 GLN 64 - H TRP 72 H TRP 72 - HG2 GLN 364 HG2 GLN 64 - HZ2 TRP 72 HZ2 TRP 72 - HG2 GLN 364 Upper QG1 VAL 77 - HA ARG 108 3.52 7 1.01 2.05 ++ +*+ ++ peak 3657 QG1 VAL 77 - HA ARG 408 QG2 VAL 77 - HA ARG 108 QG2 VAL 77 - HA ARG 408 QQG VAL 104 - HA GLN 107 HA ARG 108 - QD1 LEU 122 QD1 LEU 122 - HA ARG 408 HA ARG 108 - QD2 LEU 122 QD2 LEU 122 - HA ARG 408 QE PHE 47 - HD2 ARG 108 QE PHE 47 - HD2 ARG 408 H ILE 100 - HD2 ARG 108 H ILE 100 - HD2 ARG 408 Upper HA2 GLY 94 - HB2 LEU 396 4.13 9 1.56 2.39 + + ++ *+ + + + peak 2327 HA3 GLY 94 - HB2 LEU 96 HA3 GLY 94 - HB2 LEU 396 HB2 LEU 96 - HA VAL 104 HA VAL 104 - HB2 LEU 396 HG2 GLN 64 - HB3 LEU 73 HB3 LEU 73 - HG2 GLN 364 Upper HB2 LEU 96 - HA2 GLY 394 4.13 7 1.46 2.38 +++ *+ + + peak 2327 HA3 GLY 394 - HB2 LEU 396 HB2 LEU 96 - HA3 GLY 394 HB2 LEU 396 - HA VAL 404 HB2 LEU 96 - HA VAL 404 HG2 GLN 364 - HB3 LEU 373 HG2 GLN 64 - HB3 LEU 373 Upper QD2 LEU 96 - HA VAL 119 3.66 7 1.15 2.41 ++++ ++ * peak 8114 QD2 LEU 96 - HA VAL 419 QD1 ILE 100 - QE TYR 352 Upper HB3 PRO 97 - HG13 ILE 100 3.89 6 0.86 1.82 * + ++++ peak 3474 HB3 PRO 97 - HG13 ILE 400 HG13 ILE 100 - HB2 GLN 101 HB2 GLN 101 - HG13 ILE 400 HG3 GLN 101 - HG13 ILE 400 Upper HG2 GLU 341 - HB ILE 400 3.54 17 3.58 5.77 + *+ ++++++++ ++++++ peak 2813 HB ILE 100 - HG2 GLU 341 HB VAL 388 - HB ILE 400 HB ILE 100 - HB VAL 388 HB ILE 100 - QG GLU 399 HA HIS 351 - HD2 ARG 378 HD2 ARG 78 - HA HIS 351 Upper H ARG 348 - HA ARG 408 3.66 10 1.66 2.52 ++ + ++++ ++ * peak 3691 HA ARG 108 - H ARG 348 H ARG 374 - HA ARG 408 HA ARG 108 - H ARG 374 HA LEU 386 - HB3 PRO 409 HB3 PRO 109 - HA LEU 386 HA PRO 398 - HB3 PRO 409 HB3 PRO 109 - HA PRO 398 HB3 PRO 409 - HA LEU 418 HB3 PRO 109 - HA LEU 418 Upper H ARG 348 - HB3 ARG 408 4.10 7 1.34 3.90 + + * + + + + peak 8251 HB3 ARG 108 - H ARG 348 H ARG 374 - HB3 ARG 408 HB3 ARG 108 - H ARG 374 HB3 LEU 373 - HG2 GLU 413 HG2 GLU 113 - HB3 LEU 373 QD1 LEU 396 - HG2 GLU 413 HG2 GLU 113 - QD1 LEU 396 Upper HA GLU 354 - HA THR 356 4.18 16 1.52 1.84 ++ ++++++++ +++++* peak 2327 HA THR 56 - HA GLU 354 HA THR 356 - HD3 PRO 358 HA THR 56 - HD3 PRO 358 HG2 GLN 364 - HB3 LEU 373 HG2 GLN 64 - HB3 LEU 373 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 11 1.52 2.43 + + +++ *+++++ peak 212 HZ3 TRP 72 - HB2 TRP 372 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 7 1.14 2.31 ++++ * + + peak 214 HZ3 TRP 72 - HB3 TRP 372 Upper HB3 LEU 373 - H VAL 419 4.18 7 1.23 2.37 ++ ++ * + + peak 2338 H VAL 119 - HB3 LEU 373 QD1 LEU 396 - H VAL 419 H VAL 119 - QD1 LEU 396 HG2 GLN 364 - H TRP 372 HG2 GLN 64 - H TRP 372 HG2 GLN 364 - HZ2 TRP 372 HG2 GLN 64 - HZ2 TRP 372 Upper QG1 VAL 377 - HA ARG 408 3.52 8 0.99 2.04 + ++ ++ +* + peak 3657 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 ARG 408 - QD1 LEU 422 HA ARG 108 - QD1 LEU 422 HA ARG 408 - QD2 LEU 422 HA ARG 108 - QD2 LEU 422 QE PHE 347 - HD2 ARG 408 HD2 ARG 108 - QE PHE 347 H ILE 400 - HD2 ARG 408 HD2 ARG 108 - H ILE 400 Upper QD2 LEU 396 - HA VAL 419 3.66 8 1.09 2.08 + *+ ++ ++ + peak 8114 HA VAL 119 - QD2 LEU 396 QE TYR 52 - QD1 ILE 400 VdW HA2 GLY 39 - CD PRO 40 2.60 9 0.18 0.25 +* ++++ + ++ VdW H ARG 44 - CG ARG 44 2.55 6 0.11 0.34 + *+ ++ + VdW O ARG 44 - HB2 ARG 48 2.30 7 0.13 0.38 ++ +* + ++ VdW CG PHE 47 - C PHE 47 2.90 7 0.13 0.25 + + + + + *+ VdW CD1 PHE 47 - C PHE 47 3.10 9 0.14 0.38 +++ *+ +++ + VdW CZ PHE 47 - HB2 LEU 87 2.60 7 0.11 0.38 + + + * +++ VdW HZ PHE 47 - C LEU 87 2.50 9 0.22 0.61 ++* ++++ ++ VdW C PHE 47 - H CYS 49 2.45 13 0.26 0.58 + ++ ++ +++ +* ++ + VdW CD1 PHE 50 - N HIS 51 3.05 6 0.10 0.42 * + + + + + VdW HZ PHE 50 - HA ALA 61 2.00 7 0.12 0.45 + * ++ ++ + VdW CD2 PHE 50 - N HIS 51 3.05 12 0.19 0.41 + +++ + + + + *+++ VdW CD1 TYR 52 - C TYR 52 3.10 7 0.14 0.50 +++ +++ * VdW HD1 TYR 52 - N GLU 53 2.45 7 0.16 0.66 +++ +++ * VdW CE2 TYR 52 - C GLY 57 3.10 9 0.13 0.37 + + + + +++*+ VdW CD2 TYR 52 - C TYR 52 3.10 12 0.26 0.72 + + ++ +*++++++ VdW HD2 TYR 52 - C TYR 52 2.50 10 0.24 0.79 + ++ +*+ ++++ VdW HD2 TYR 52 - N GLU 53 2.45 11 0.23 0.64 + ++ +++++*++ VdW OH TYR 52 - HD3 PRO 58 2.30 15 0.28 0.60 +++ +++++ + *+++++ VdW O GLU 53 - N THR 56 2.75 6 0.17 0.29 + + ++ + * VdW C THR 56 - O GLY 57 2.80 15 0.21 0.38 +++ ++ ++++ *+++++ VdW O THR 56 - C GLY 57 2.80 14 0.25 0.47 + +++ ++++*+++++ VdW O THR 56 - O GLY 57 2.60 17 0.54 0.94 +++ +++ +++++*+++++ VdW O THR 56 - HB3 GLU 60 2.30 13 0.28 0.66 ++++ * ++++ + ++ + VdW HA PRO 58 - HE1 PHE 92 2.00 8 0.14 0.43 + + +++++ * VdW HG2 PRO 58 - NE2 GLN 59 2.45 8 0.15 0.45 + + ++ + +*+ VdW O PRO 58 - CG LEU 62 2.90 12 0.27 0.52 + * ++++ + ++ + ++ VdW O PRO 58 - HG LEU 62 2.30 16 0.38 0.71 * ++ +++++++ ++++ ++ VdW O ALA 61 - CD2 LEU 65 2.90 6 0.13 0.69 + *++ + + VdW HA LEU 62 - CD1 LEU 65 2.60 6 0.12 0.47 + *+ + + + VdW CB LEU 62 - HA GLU 113 2.60 6 0.13 0.51 + + + + * + VdW CD1 LEU 62 - O PRO 112 2.90 9 0.19 0.56 + ++++*+ + + VdW CD1 LEU 62 - CB ALA 116 3.20 10 0.21 0.48 + + ++ ++ + + *+ VdW CD2 LEU 62 - CD2 PHE 92 3.20 6 0.13 0.60 ++ + *+ + VdW CD2 LEU 62 - HB2 PRO 112 2.60 8 0.19 0.65 + + ++ + + + * VdW CD2 LEU 62 - O PRO 112 2.90 9 0.19 0.66 + * ++ + ++ + + VdW O LEU 62 - HG2 ARG 66 2.30 7 0.14 0.49 + + + * + ++ VdW N GLN 64 - HG2 GLN 64 2.45 12 0.21 0.37 + + +++++ ++ *+ + VdW H GLN 64 - HG2 GLN 64 1.95 8 0.19 0.51 + ++ + * +++ VdW O LEU 65 - C ARG 66 2.80 6 0.13 0.28 + ++ + * + VdW O LEU 65 - N LEU 68 2.75 10 0.19 0.49 + ++ + + ++ *+ + VdW O LEU 65 - SG CYS 69 3.10 6 0.12 0.52 + +++ * + VdW HA ARG 66 - SG CYS 69 2.80 10 0.22 0.73 + + + + +*+ +++ VdW CB ARG 66 - HG2 PRO 112 2.60 9 0.18 0.55 + ++ +++ * + + VdW O ARG 66 - N ARG 70 2.75 8 0.17 0.52 ++ ++++ +* VdW CG GLU 67 - C GLU 67 2.90 6 0.14 0.24 + + + *+ + VdW CA LEU 68 - CD1 LEU 68 3.00 6 0.10 0.26 * ++ ++ + VdW CB CYS 69 - HG LEU 87 2.60 7 0.13 0.55 + + ++ + +* VdW HB2 CYS 69 - HG LEU 87 2.00 6 0.10 0.59 + + ++ + * VdW SG CYS 69 - N ARG 70 3.25 9 0.18 0.57 +++++ + + +* VdW SG CYS 69 - CD2 LEU 87 3.40 7 0.14 0.73 + + * ++ + + VdW C CYS 69 - N GLN 71 2.95 7 0.15 0.38 * + + ++ + + VdW O CYS 69 - C ARG 70 2.80 13 0.24 0.38 +++++*+++++++ VdW O CYS 69 - N GLN 71 2.75 13 0.23 0.57 + +++++ ++++ ++* VdW O CYS 69 - N TRP 72 2.75 16 0.32 0.52 + + +*+ +++++++++++ VdW O CYS 69 - H TRP 72 1.80 7 0.15 0.40 + +++ * ++ VdW HD2 ARG 70 - O ARG 70 2.30 11 0.18 0.42 ++ + ++ +++ + + * VdW C ARG 70 - H TRP 72 2.45 11 0.26 0.64 + ++ *++ ++++ + VdW H GLN 71 - CG GLN 71 2.55 7 0.14 0.30 + + +* + ++ VdW CG TRP 72 - C TRP 72 2.90 15 0.21 0.26 + ++* +++++++ ++++ VdW CG TRP 72 - O TRP 72 2.90 12 0.31 0.76 ++++++ + + +*+ + VdW CD1 TRP 72 - O TRP 72 2.90 11 0.35 0.99 ++* + +++ + ++ + VdW CD2 TRP 72 - O TRP 72 2.90 6 0.10 0.46 + + + +* + VdW HD1 TRP 72 - O TRP 72 2.30 6 0.13 0.58 ++ + *+ + VdW CH2 TRP 72 - HB3 LEU 87 2.60 6 0.14 0.62 + + +* + + VdW HA LEU 73 - CD1 LEU 73 2.60 7 0.10 0.39 + + ++ ++* VdW CB LEU 73 - H ARG 74 2.55 15 0.28 0.40 ++ ++ ++ +*+ +++++ + VdW HB3 LEU 73 - N ARG 74 2.45 10 0.17 0.43 + +* +++ + +++ VdW HB3 LEU 73 - H ARG 74 1.95 12 0.29 0.69 + + +* +++ +++++ VdW C ARG 74 - H GLU 76 2.45 6 0.12 0.38 + * + ++ + VdW O ARG 74 - CG2 VAL 77 2.90 9 0.18 0.50 + + ++ *++ + + VdW HB3 PRO 75 - HA LYS 80 2.00 6 0.10 0.36 ++ ++ + * VdW HD2 PRO 75 - CB ARG 108 2.60 7 0.10 0.32 ++ + + +* + VdW H GLU 76 - HB2 ARG 108 1.95 7 0.15 0.51 ++ + + +* + VdW CG GLU 76 - C GLU 76 2.90 11 0.17 0.24 +* + + +++++++ VdW N VAL 77 - CG2 VAL 77 2.85 8 0.16 0.24 + + + ++ * ++ VdW H VAL 77 - CG2 VAL 77 2.55 9 0.16 0.37 ++ *+ + ++++ VdW CB ARG 78 - H SER 79 2.55 14 0.26 0.40 + * ++++++ ++ ++++ VdW HB2 ARG 78 - H SER 79 1.95 8 0.15 0.42 + + *+ + ++ + VdW O GLU 81 - CB GLU 85 2.90 8 0.14 0.46 + + ++* + + + VdW HA MET 83 - CE MET 83 2.60 6 0.11 0.52 + + ++* + VdW O MET 83 - N LEU 86 2.75 6 0.12 0.45 +++ + *+ VdW N LEU 84 - CD1 LEU 84 3.05 7 0.12 0.42 * + ++ + + + VdW H LEU 84 - CD2 LEU 84 2.55 6 0.11 0.46 + * + + + + VdW C LEU 84 - H LEU 86 2.45 8 0.18 0.57 + + +*+ +++ VdW HA GLU 85 - HB2 LEU 89 2.00 9 0.20 0.57 + ++ ++ + ++ * VdW O GLU 85 - CB LEU 89 2.90 9 0.16 0.53 + +++ ++* + + VdW O GLU 85 - HB3 LEU 89 2.30 7 0.14 0.47 + + ++ + * + VdW N LEU 87 - CD1 LEU 87 3.05 10 0.24 0.79 + ++ +* + ++++ VdW H LEU 87 - CD1 LEU 87 2.55 8 0.17 0.68 + + ++ * +++ VdW CD2 LEU 87 - H VAL 88 2.55 6 0.12 0.56 + ++ ++* VdW N VAL 88 - CG2 VAL 88 2.85 10 0.14 0.25 + + +* ++ + ++ + VdW H VAL 88 - CG2 VAL 88 2.55 13 0.24 0.45 +++ +* ++++ + ++ + VdW CG1 VAL 88 - CB PHE 92 3.20 9 0.18 0.46 + ++*+ + ++ + VdW CG1 VAL 88 - HB2 PHE 92 2.60 6 0.11 0.47 + ++ * + + VdW CG1 VAL 88 - HB3 PHE 92 2.60 7 0.19 0.76 + ++ + + + * VdW CG1 VAL 88 - HB3 PRO 112 2.60 9 0.20 0.60 ++ + +++ * + + VdW O VAL 88 - N PHE 92 2.75 6 0.13 0.41 + + + + + * VdW O VAL 88 - N LEU 93 2.75 7 0.15 0.50 ++ +*+ + + VdW CA LEU 89 - HB2 LEU 93 2.60 9 0.17 0.47 + ++ + * + ++ + VdW HA LEU 89 - CB LEU 93 2.60 9 0.21 0.62 ++ +++ + +* + VdW HA LEU 89 - HB2 LEU 93 2.00 8 0.20 0.70 + + +++ + +* VdW HA LEU 89 - CG LEU 93 2.60 6 0.12 0.53 +*+ + ++ VdW O PHE 92 - N LEU 96 2.75 6 0.14 0.57 + + ++ +* VdW O PHE 92 - HB3 LEU 96 2.30 7 0.14 0.48 + + ++ + * + VdW HA LEU 93 - CD2 LEU 96 2.60 7 0.15 0.58 + ++ ++ *+ VdW C LEU 93 - H ALA 95 2.45 7 0.13 0.44 +* + + + ++ VdW O LEU 93 - N LEU 96 2.75 6 0.13 0.37 *+ + ++ + VdW O LEU 93 - CD GLN 101 2.80 8 0.21 0.91 +++ * ++ + + VdW O LEU 93 - NE2 GLN 101 2.75 17 0.55 0.91 +++ + ++++++++*+++ + VdW CB LEU 96 - CD PRO 97 3.20 13 0.24 0.78 ++* +++ ++ ++++ + VdW CB LEU 96 - HD2 PRO 97 2.60 13 0.27 0.60 +++ ++* ++ ++++ + VdW HB2 LEU 96 - CD PRO 97 2.60 6 0.11 0.55 + +* ++ + VdW HB2 LEU 96 - HD2 PRO 97 2.00 9 0.23 0.80 + +*+ ++ +++ VdW CG LEU 96 - HD2 PRO 97 2.60 8 0.23 0.85 + + *+ + ++ + VdW HG LEU 96 - HD2 PRO 97 2.00 7 0.22 0.94 + *+ + ++ + VdW CD1 LEU 96 - N PRO 97 3.05 6 0.13 0.55 + *+ ++ + VdW CD1 LEU 96 - CD PRO 97 3.20 6 0.17 0.65 + +++ *+ VdW CD1 LEU 96 - HD2 PRO 97 2.60 7 0.18 0.66 + + +++ *+ VdW CD1 LEU 96 - O PRO 97 2.90 6 0.24 0.90 + ++ +* + VdW CD1 LEU 96 - CB ILE 100 3.20 6 0.13 0.56 * ++ ++ + VdW CD1 LEU 96 - HB ILE 100 2.60 7 0.26 0.98 * ++ ++ ++ VdW HD13 LEU 96 - HB ILE 100 2.00 6 0.16 0.67 + + +* ++ VdW HD13 LEU 96 - N GLN 101 2.45 7 0.15 0.61 + + +* ++ + VdW O LEU 96 - NE2 GLN 101 2.75 6 0.17 0.98 ++ + * + + VdW CG PRO 97 - CG1 ILE 100 3.20 9 0.19 0.58 + +++* ++++ VdW CG PRO 97 - HG12 ILE 100 2.60 10 0.23 0.62 ++ +++* ++++ VdW CG PRO 97 - CD1 ILE 100 3.20 6 0.11 0.47 * ++ + + + VdW HG2 PRO 97 - CB ILE 100 2.60 9 0.18 0.62 ++ + + *+ + ++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 15 0.38 0.79 + + +++++++* + ++++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 11 0.27 0.93 + + ++ + +* + ++ + VdW HG2 PRO 97 - CD1 ILE 100 2.60 10 0.21 0.58 + + ++ + ++ + +* VdW N ILE 100 - CD1 ILE 100 3.05 10 0.24 0.61 + + + +++ ++*+ VdW CA ILE 100 - CD1 ILE 100 3.00 6 0.12 0.30 + *++ ++ VdW CG2 ILE 100 - CG2 VAL 119 3.20 6 0.10 0.30 + + + + +* VdW O ILE 100 - C GLN 101 2.80 7 0.14 0.32 * + + + + ++ VdW O ILE 100 - N ARG 103 2.75 12 0.23 0.50 ++ +*+++ + + + ++ VdW C VAL 104 - H GLY 106 2.45 9 0.17 0.44 + + ++ +++ * + VdW CG GLN 105 - C GLN 105 2.90 10 0.14 0.23 +++ +++* + + + VdW N GLN 107 - CD GLN 107 2.95 6 0.12 0.45 + +*+++ VdW C GLN 107 - CD PRO 109 3.10 14 0.26 0.46 + ++ ++ +++ +*+ +++ VdW C GLN 107 - HD3 PRO 109 2.50 12 0.23 0.55 + ++++++++ * ++ VdW O GLN 107 - C ARG 108 2.80 6 0.12 0.48 + + ++ + * VdW O GLN 107 - CD PRO 109 2.90 9 0.16 0.48 ++* ++++ ++ VdW N ARG 108 - CD PRO 109 3.05 9 0.24 0.72 *+++ + +++ + VdW CG ARG 108 - O ARG 108 2.90 8 0.21 0.62 ++ + *+ ++ + VdW HG2 ARG 108 - O ARG 108 2.30 6 0.12 0.65 + + + ++ * VdW C PRO 109 - N SER 111 2.95 9 0.19 0.33 + + + ++ + + + * VdW C PRO 109 - H SER 111 2.45 14 0.27 0.63 + +++ +++ + ++++*+ VdW O PRO 109 - N SER 111 2.75 9 0.20 0.48 + + + ++ ++ + * VdW O PRO 109 - HB2 GLU 114 2.30 10 0.22 0.64 ++ + + *++ + + + VdW C GLY 110 - OG SER 111 2.80 7 0.12 0.40 + + + + +* + VdW O GLY 110 - CB SER 111 2.90 17 0.41 0.58 ++ ++++++*+++ ++++ + VdW O GLY 110 - HB2 SER 111 2.30 7 0.20 0.75 + * +++++ VdW O GLY 110 - OG SER 111 2.60 9 0.23 0.77 + ++ + + +* + + VdW CB SER 111 - CD PRO 112 3.20 18 0.55 0.96 ++ ++++++++++ ++++*+ VdW CB SER 111 - HD2 PRO 112 2.60 19 0.59 0.91 +++++++*+++++ ++++++ VdW HB2 SER 111 - HD2 PRO 112 2.00 6 0.10 0.39 * + + + + + VdW HB3 SER 111 - CD PRO 112 2.60 13 0.44 1.17 + ++++++ +++ + *+ VdW HB3 SER 111 - HD2 PRO 112 2.00 17 0.50 0.94 ++ ++++*+++++ +++ ++ VdW OG SER 111 - HD2 PRO 112 2.30 6 0.15 0.73 + + * +++ VdW O ALA 115 - N ALA 117 2.75 6 0.18 0.60 + * + + + + VdW O ALA 115 - N LEU 118 2.75 10 0.18 0.46 * ++ + + ++++ + VdW O ALA 115 - H LEU 118 1.80 6 0.13 0.48 * ++ + + + VdW O ALA 115 - CG LEU 118 2.90 10 0.24 0.60 +++ ++ + +*+ + VdW O ALA 115 - HG LEU 118 2.30 19 0.58 1.00 +++++ +++++++++*++++ VdW H LEU 118 - CG LEU 118 2.55 17 0.26 0.35 ++++ ++++++ ++*++++ VdW H LEU 118 - HG LEU 118 1.95 10 0.17 0.31 ++ + *+ + + +++ VdW O LEU 118 - N LEU 122 2.75 7 0.14 0.39 ++ ++ + * + VdW O LEU 118 - HB3 LEU 122 2.30 9 0.19 0.51 ++ ++ ++* ++ VdW CG2 VAL 119 - N ASP 120 3.05 7 0.12 0.43 + + +++* + VdW CG2 VAL 119 - H ASP 120 2.55 8 0.12 0.36 + + ++*+ + + VdW HA2 GLY 339 - CD PRO 340 2.60 7 0.18 0.27 +* + + ++ + VdW H ARG 344 - CG ARG 344 2.55 7 0.12 0.38 +++ + +* + VdW O ARG 344 - HB2 ARG 348 2.30 9 0.17 0.53 + ++ +++ + +* VdW CD1 PHE 347 - C PHE 347 3.10 7 0.12 0.54 ++ + +++ * VdW HE1 PHE 347 - HB3 LEU 365 2.00 6 0.11 0.40 + + + + * + VdW CZ PHE 347 - HB2 LEU 387 2.60 7 0.14 0.83 + ++ + ++* VdW HZ PHE 347 - C LEU 387 2.50 10 0.21 0.57 + +++ *++ + ++ VdW C PHE 347 - N CYS 349 2.95 7 0.14 0.30 ++ ++ + * + VdW C PHE 347 - H CYS 349 2.45 14 0.29 0.54 + ++ ++ ++++ * ++++ VdW CD1 PHE 350 - N HIS 351 3.05 9 0.17 0.51 + ++ ++ + + + * VdW CD2 PHE 350 - N HIS 351 3.05 7 0.13 0.46 + + + + + + * VdW CD1 TYR 352 - C TYR 352 3.10 9 0.20 0.56 + * + ++ + ++ + VdW HD1 TYR 352 - C TYR 352 2.50 8 0.19 0.65 * + + ++ + + + VdW HD1 TYR 352 - N GLU 353 2.45 7 0.17 0.63 + + +* + + + VdW CE1 TYR 352 - C GLY 357 3.10 7 0.12 0.35 + * + + + ++ VdW CE2 TYR 352 - C GLY 357 3.10 6 0.09 0.38 + + + + +* VdW CD2 TYR 352 - C TYR 352 3.10 9 0.20 0.73 + +++ + *+ ++ VdW HD2 TYR 352 - C TYR 352 2.50 8 0.20 0.83 + ++ + *+ ++ VdW HD2 TYR 352 - N GLU 353 2.45 9 0.22 0.65 + +++ * ++ ++ VdW OH TYR 352 - HD3 PRO 358 2.30 17 0.33 0.56 +++ ++++++++ +++++* VdW O TYR 352 - CB ALA 395 2.90 6 0.13 0.65 * ++ ++ + VdW O GLU 353 - N THR 356 2.75 9 0.18 0.32 * ++ +++ + + + VdW C THR 356 - O GLY 357 2.80 14 0.21 0.30 +*+ +++ ++++ + +++ VdW O THR 356 - C GLY 357 2.80 13 0.25 0.47 ++ +++ +++*+ +++ VdW O THR 356 - O GLY 357 2.60 20 0.53 0.73 ++*+++++++++++++++++ VdW O THR 356 - CB GLU 360 2.90 7 0.16 0.35 + + +++ + * VdW O THR 356 - HB3 GLU 360 2.30 16 0.35 0.74 +++ + +*++++ ++++++ VdW HA PRO 358 - HE1 PHE 392 2.00 9 0.17 0.50 ++ *+ ++ +++ VdW HG2 PRO 358 - NE2 GLN 359 2.45 10 0.20 0.42 + +*++ +++ ++ VdW O PRO 358 - N LEU 362 2.75 7 0.14 0.52 ++ + + + +* VdW O PRO 358 - CG LEU 362 2.90 12 0.26 0.55 + * +++ ++ + ++++ VdW O PRO 358 - HG LEU 362 2.30 12 0.34 0.76 ++ + *++ ++ ++++ VdW O PRO 358 - CD1 LEU 362 2.90 6 0.13 0.50 ++ + + *+ VdW HE21 GLN 359 - CB ALA 416 2.55 7 0.13 0.32 +++ * +++ VdW HA LEU 362 - CD1 LEU 365 2.60 7 0.15 0.75 ++ + * + ++ VdW CB LEU 362 - HA GLU 413 2.60 6 0.14 0.42 + + + + * + VdW HB3 LEU 362 - HA GLU 413 2.00 7 0.14 0.64 + *++ ++ + VdW CD1 LEU 362 - O PRO 412 2.90 6 0.13 0.48 + * + + + + VdW CD1 LEU 362 - CB ALA 416 3.20 7 0.15 0.45 ++ + + + *+ VdW CD2 LEU 362 - HB2 PRO 412 2.60 7 0.18 0.69 ++ + + + + * VdW CD2 LEU 362 - O PRO 412 2.90 7 0.16 0.62 +++ ++ * + VdW O LEU 362 - HG2 ARG 366 2.30 7 0.13 0.45 + + + + * ++ VdW O ALA 363 - HB3 GLU 367 2.30 6 0.11 0.48 + + * + + + VdW N GLN 364 - HG2 GLN 364 2.45 10 0.17 0.33 ++ ++++ + ++* VdW H GLN 364 - HG2 GLN 364 1.95 7 0.15 0.44 + + ++ +* + VdW O GLN 364 - CD2 LEU 368 2.90 7 0.14 0.55 + + *+ + ++ VdW O LEU 365 - N LEU 368 2.75 9 0.15 0.35 + + * + + + ++ + VdW O LEU 365 - SG CYS 369 3.10 7 0.12 0.60 + ++* + ++ VdW H ARG 366 - CG ARG 366 2.55 6 0.09 0.37 + + * + ++ VdW HA ARG 366 - SG CYS 369 2.80 10 0.22 0.83 + + * ++++ + + + VdW CB ARG 366 - HG2 PRO 412 2.60 9 0.21 0.69 + + + ++ + *+ + VdW HB3 ARG 366 - CG PRO 412 2.60 7 0.18 0.63 * ++ + + ++ VdW HB3 ARG 366 - HG2 PRO 412 2.00 8 0.17 0.64 + + * + + ++ + VdW O ARG 366 - N ARG 370 2.75 8 0.21 0.60 ++ ++ ++ +* VdW CG GLU 367 - C GLU 367 2.90 7 0.16 0.24 + + ++ + +* VdW HG3 GLU 367 - C GLU 367 2.50 7 0.15 0.43 + + * ++ ++ VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.09 0.26 + ++ * ++ VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.09 0.35 + + ++ +* VdW H CYS 369 - SG CYS 369 2.75 7 0.13 0.47 +++* ++ + VdW SG CYS 369 - N ARG 370 3.25 7 0.17 0.58 ++*++ + + VdW O CYS 369 - C ARG 370 2.80 12 0.23 0.46 ++++ *++++ +++ VdW O CYS 369 - N GLN 371 2.75 9 0.21 0.86 + * ++++ +++ VdW O CYS 369 - N TRP 372 2.75 14 0.30 0.51 + + ++ +++ ++++++* VdW O CYS 369 - H TRP 372 1.80 8 0.15 0.40 + + ++ ++*+ VdW HD2 ARG 370 - O ARG 370 2.30 8 0.18 0.49 + + *++ + + + VdW C ARG 370 - H TRP 372 2.45 10 0.25 0.66 ++ *++ ++++ + VdW H TRP 372 - H LEU 373 1.90 7 0.12 0.40 + ++ ++ + * VdW CG TRP 372 - C TRP 372 2.90 14 0.20 0.26 + ++* ++++ +++ +++ VdW CG TRP 372 - O TRP 372 2.90 6 0.15 0.76 + * + +++ VdW CD1 TRP 372 - C TRP 372 3.10 11 0.23 0.55 + +++ * ++ + ++ + VdW CD1 TRP 372 - O TRP 372 2.90 12 0.38 0.86 ++++ +++ +*++ + VdW HD1 TRP 372 - O TRP 372 2.30 10 0.25 0.85 +*+ ++ ++++ + VdW CH2 TRP 372 - HB3 LEU 387 2.60 6 0.16 0.78 ++ * ++ + VdW CB LEU 373 - N ARG 374 2.85 8 0.14 0.21 + * ++ + ++ + VdW CB LEU 373 - H ARG 374 2.55 14 0.28 0.40 ++ * ++ +++ +++++ + VdW HB3 LEU 373 - H ARG 374 1.95 10 0.23 0.63 + + +* ++ +++ + VdW CD1 LEU 373 - CD2 LEU 387 3.20 6 0.14 0.75 +++ + * + VdW O LEU 373 - CB ARG 374 2.90 10 0.19 0.47 ++ +++ + ++*+ VdW O LEU 373 - HB2 ARG 374 2.30 6 0.13 0.47 *+ + ++ + VdW CG PRO 375 - HB2 ARG 408 2.60 6 0.08 0.39 + + * + + + VdW CB ARG 378 - N SER 379 2.85 8 0.12 0.21 + +++* ++ + VdW CB ARG 378 - H SER 379 2.55 12 0.23 0.40 + + ++++*+++ + + VdW O MET 383 - N LEU 386 2.75 8 0.17 0.72 +++ * ++ + + VdW O MET 383 - H LEU 386 1.80 6 0.12 0.59 + + * + + + VdW N LEU 384 - CD2 LEU 384 3.05 7 0.15 0.50 *+ + + + + + VdW C LEU 384 - H LEU 386 2.45 7 0.18 0.59 ++ + +* + + VdW O LEU 384 - HG21 VAL 388 2.30 6 0.13 0.45 ++ + + +* VdW CA GLU 385 - HB2 LEU 389 2.60 6 0.10 0.50 + + + + + * VdW HA GLU 385 - HB2 LEU 389 2.00 7 0.16 0.60 + + *+ + + + VdW O GLU 385 - CB LEU 389 2.90 9 0.18 0.54 + + + + * ++++ VdW O GLU 385 - HB2 LEU 389 2.30 6 0.15 0.61 ++ + ++ * VdW O GLU 385 - HB3 LEU 389 2.30 7 0.14 0.44 + +++ + + * VdW N LEU 387 - CD1 LEU 387 3.05 6 0.19 0.71 + * + +++ VdW H LEU 387 - CD1 LEU 387 2.55 7 0.19 0.76 + ++ + ++* VdW CD2 LEU 387 - H VAL 388 2.55 6 0.19 0.89 * ++ ++ + VdW N VAL 388 - CG2 VAL 388 2.85 8 0.15 0.25 + + ++ + * + + VdW H VAL 388 - CG2 VAL 388 2.55 14 0.24 0.44 +++ +* ++++ + ++++ VdW CG1 VAL 388 - CB PHE 392 3.20 8 0.18 0.56 + + + + + *+ + VdW CG1 VAL 388 - CB PRO 412 3.20 7 0.13 0.50 ++ + + + *+ VdW CG1 VAL 388 - HB3 PRO 412 2.60 6 0.19 0.71 ++ * + + + VdW O VAL 388 - N PHE 392 2.75 8 0.16 0.50 ++ + + + * + + VdW O VAL 388 - N LEU 393 2.75 7 0.15 0.53 ++ ++ + * + VdW CA LEU 389 - HB2 LEU 393 2.60 10 0.19 0.53 + ++ +++ * ++ + VdW HA LEU 389 - CB LEU 393 2.60 9 0.23 0.64 ++ +++ * ++ + VdW HA LEU 389 - HB2 LEU 393 2.00 10 0.26 0.75 + ++ +++ * ++ + VdW HA LEU 389 - CG LEU 393 2.60 7 0.15 0.58 * +++ + ++ VdW O PHE 392 - N LEU 396 2.75 7 0.16 0.53 + +*+ ++ + VdW O LEU 393 - N LEU 396 2.75 6 0.12 0.31 +* + + + + VdW O LEU 393 - CD GLN 401 2.80 6 0.16 0.72 + + * ++ + VdW O LEU 393 - NE2 GLN 401 2.75 15 0.50 1.00 ++ ++++++++*+++ + VdW CB LEU 396 - CD PRO 397 3.20 9 0.20 0.99 +*+ ++ + + ++ VdW CB LEU 396 - HD2 PRO 397 2.60 10 0.24 0.88 +*+ ++ + + ++ + VdW HB2 LEU 396 - HD2 PRO 397 2.00 7 0.22 0.90 + +* + ++ + VdW CG LEU 396 - CD PRO 397 3.20 7 0.13 0.49 + + + *+ ++ VdW CG LEU 396 - HD2 PRO 397 2.60 9 0.26 0.83 + * + +++ + ++ VdW HG LEU 396 - HD2 PRO 397 2.00 8 0.27 1.01 + * + ++ + ++ VdW HD12 LEU 396 - CD PRO 397 2.60 6 0.14 0.55 + ++ * + + VdW CD2 LEU 396 - CD PRO 397 3.20 6 0.15 0.56 + *+ + ++ VdW CD2 LEU 396 - HD2 PRO 397 2.60 9 0.16 0.62 ++ + ++ ++ +* VdW O LEU 396 - NE2 GLN 401 2.75 8 0.23 1.04 + + ++ *++ + VdW CG PRO 397 - CG1 ILE 400 3.20 12 0.22 0.55 + + +++ +* + ++++ VdW CG PRO 397 - HG12 ILE 400 2.60 12 0.28 0.57 * +++ ++++ + +++ VdW HG2 PRO 397 - CB ILE 400 2.60 9 0.17 0.60 ++ ++ * ++ + + VdW HG2 PRO 397 - CG1 ILE 400 2.60 15 0.40 0.81 + + +++++++* + ++++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 14 0.33 0.87 + *+ +++ + ++ + ++++ VdW HG2 PRO 397 - CD1 ILE 400 2.60 6 0.14 0.44 + + + +*+ VdW N ILE 400 - CD1 ILE 400 3.05 10 0.22 0.59 + ++ *++ + +++ VdW CA ILE 400 - CD1 ILE 400 3.00 7 0.11 0.30 +* +++ + + VdW HA ILE 400 - HB VAL 419 2.00 6 0.10 0.42 ++ ++ * + VdW CG1 ILE 400 - HB VAL 419 2.60 6 0.12 0.49 ++ ++ + * VdW O ILE 400 - C GLN 401 2.80 7 0.13 0.38 + + + * + + + VdW O ILE 400 - N ARG 403 2.75 8 0.19 0.55 + + ++ * + + + VdW C VAL 404 - H GLY 406 2.45 10 0.17 0.40 + +++ ++ * + + + VdW CG GLN 405 - C GLN 405 2.90 6 0.11 0.23 +++ + + * VdW C GLN 407 - CD PRO 409 3.10 13 0.24 0.54 + ++ ++ + + ++* +++ VdW C GLN 407 - HD3 PRO 409 2.50 10 0.19 0.72 + + ++ + + + * ++ VdW O GLN 407 - CD PRO 409 2.90 7 0.14 0.42 +++ ++ +* VdW N ARG 408 - CD PRO 409 3.05 10 0.28 0.75 *+++ + + +++ + VdW N ARG 408 - HD3 PRO 409 2.45 6 0.10 0.33 ++ + *+ + VdW CG ARG 408 - O ARG 408 2.90 8 0.23 0.69 + ++ + + ++ * VdW HG3 ARG 408 - O ARG 408 2.30 6 0.15 0.81 + ++ + + * VdW HG2 PRO 409 - CB ALA 415 2.60 6 0.10 0.42 * ++ ++ + VdW C PRO 409 - N SER 411 2.95 12 0.20 0.34 + + ++++ ++++*+ VdW C PRO 409 - H SER 411 2.45 13 0.25 0.57 + + +++++ ++++*+ VdW O PRO 409 - N SER 411 2.75 13 0.23 0.45 + ++ ++++ ++++*+ VdW O PRO 409 - CB GLU 414 2.90 7 0.13 0.36 +++ ++ + * VdW O PRO 409 - HB2 GLU 414 2.30 9 0.21 0.65 ++ ++ ++ + * + VdW C GLY 410 - OG SER 411 2.80 10 0.18 0.41 ++ +*+++ ++ + VdW O GLY 410 - CB SER 411 2.90 17 0.41 0.58 ++ ++++++++++ +*++ + VdW O GLY 410 - OG SER 411 2.60 13 0.36 0.81 + +++ +++++ +*+ + VdW CB SER 411 - CD PRO 412 3.20 18 0.49 0.92 ++++++++++ ++ ++++*+ VdW CB SER 411 - HD2 PRO 412 2.60 19 0.56 0.82 +++++*+++++++ ++++++ VdW HB2 SER 411 - HD2 PRO 412 2.00 8 0.14 0.44 + ++ + + + + * VdW HB3 SER 411 - CD PRO 412 2.60 14 0.39 0.91 + +++ +++ ++ +++ *+ VdW HB3 SER 411 - HD2 PRO 412 2.00 14 0.45 0.90 * +++ +++ ++ ++++ + VdW C ALA 415 - N ALA 417 2.95 8 0.19 0.40 * + + + +++ + VdW O ALA 415 - N ALA 417 2.75 9 0.20 0.62 + + + + + ++* + VdW O ALA 415 - N LEU 418 2.75 10 0.19 0.46 * ++ + + ++++ + VdW O ALA 415 - H LEU 418 1.80 8 0.14 0.49 * ++ + +++ + VdW O ALA 415 - CG LEU 418 2.90 11 0.27 0.58 +++ ++ + + +*+ + VdW O ALA 415 - HG LEU 418 2.30 19 0.60 0.88 ++++ ++++++++++*++++ VdW O ALA 416 - HG21 VAL 419 2.30 6 0.12 0.52 + +* + + + VdW H LEU 418 - CG LEU 418 2.55 17 0.28 0.33 ++++ *++++++ ++++++ VdW H LEU 418 - HG LEU 418 1.95 9 0.18 0.31 ++ + + + + ++ * VdW O LEU 418 - N LEU 422 2.75 7 0.11 0.36 +* ++ ++ + VdW O LEU 418 - HB3 LEU 422 2.30 10 0.20 0.49 + ++ ++ * + ++ + VdW CG2 VAL 419 - N ASP 420 3.05 10 0.19 0.44 + ++*+ ++ +++ VdW CG2 VAL 419 - H ASP 420 2.55 13 0.20 0.43 ++ ++++ *+ ++ +++ Angle PHI ALA 42 -75.00 -55.00 6 5.76 39.39 + + + + * + Angle PSI ALA 42 -53.00 -27.00 12 8.54 43.00 ++ + ++++++ * ++ Angle PHI ALA 43 -78.00 -58.00 6 5.60 55.93 + + + + * + Angle PHI ARG 44 -71.00 -51.00 7 3.83 13.09 +* +++ ++ Angle PSI ARG 44 -54.00 -34.00 13 7.01 15.95 ++++++ ++ ++* + + Angle PHI LEU 45 -72.00 -52.00 6 2.90 14.62 *+ ++ + + Angle PSI LEU 45 -52.00 -32.00 6 3.55 14.16 ++ + + +* Angle PHI PHE 47 -74.00 -54.00 9 6.60 31.35 ++ +++ * + ++ Angle PSI PHE 47 -49.00 -29.00 13 11.96 35.30 + +++*++++++ + + Angle PSI ARG 48 -34.00 -4.00 11 8.83 33.38 + + ++ +++ + +* + Angle PSI CYS 49 -51.00 -5.00 17 11.16 21.41 +++++++++*++++++ + Angle PSI PHE 50 120.00 140.00 14 7.59 15.43 + +*+++++++ + ++ + Angle PHI HIS 51 -128.00 -90.00 16 10.32 20.55 +++ ++++++*++ +++ + Angle PHI TYR 52 -106.00 -68.00 11 5.10 13.13 ++ *+ ++ ++ + ++ Angle PSI TYR 52 120.00 140.00 17 9.66 20.93 ++* +++ +++++++++++ Angle PSI ALA 55 -50.00 -30.00 9 4.29 7.94 ++ + * + +++ + Angle PSI THR 56 -15.00 15.00 6 4.41 26.53 + + *+ ++ Angle PSI PRO 58 -41.00 -31.00 16 10.94 24.52 + +++++ *++ ++++++ + Angle PHI GLN 59 -77.00 -57.00 7 3.87 14.23 + + +* +++ Angle PSI GLN 59 -46.00 -26.00 19 13.31 44.96 ++++*+++++++ +++++++ Angle PHI ALA 61 -72.00 -52.00 8 4.26 11.32 *++ ++ ++ + Angle PHI LEU 62 -71.00 -51.00 7 3.87 21.19 + + * ++ + + Angle PHI ALA 63 -76.00 -56.00 12 6.59 15.32 + ++ ++*+ +++ ++ Angle PSI ALA 63 -48.00 -28.00 7 4.85 16.89 + * ++ + + + Angle PHI GLN 64 -78.00 -58.00 11 5.06 9.49 + +++* +++ ++ + Angle PHI LEU 65 -71.00 -51.00 11 8.49 23.56 + + +++ ++ *+++ Angle PSI LEU 65 -52.00 -32.00 11 6.91 15.84 + + +*+ + + +++ + Angle PHI ARG 66 -76.00 -56.00 16 12.60 23.79 ++ +++++ ++* ++ ++++ Angle PSI ARG 66 -50.00 -30.00 9 5.60 17.77 + +++*+++ + Angle PHI GLU 67 -79.00 -59.00 9 5.55 14.86 ++ +++ + + + * Angle PHI LEU 68 -74.00 -54.00 13 9.45 22.47 + ++++*+ + ++++ + Angle PSI LEU 68 -52.00 -32.00 7 6.01 21.76 +++ * + + + Angle PHI CYS 69 -76.00 -56.00 14 10.12 24.62 ++ +++++* ++++++ Angle PSI CYS 69 -50.00 -30.00 9 6.00 20.49 + +++ + +++ * Angle PHI ARG 70 -73.00 -53.00 19 18.23 30.61 ++++ ++++++*++++++++ Angle PSI GLN 71 -47.00 -17.00 14 17.39 39.35 + +++ ++++++ + +* + Angle PHI GLU 76 -78.00 -58.00 10 12.04 49.44 + +*+ + +++++ Angle PSI GLU 76 -40.00 -6.00 7 6.75 30.85 + +++ + + * Angle PSI VAL 77 -29.00 -5.00 8 9.17 60.69 ++++* + + + Angle PHI SER 79 -113.00 -71.00 11 7.48 32.95 + + * ++ ++ ++++ Angle PSI SER 79 155.00 175.00 14 11.66 55.41 *+++ ++ +++ + + +++ Angle PHI LYS 80 -69.00 -49.00 10 8.24 40.95 + + + + + ++++* Angle PSI LYS 80 -48.00 -28.00 12 11.19 36.15 ++ + +++ +++*+ + Angle PHI GLU 81 -73.00 -53.00 13 13.25 40.18 ++++ + ++ + ++++ * Angle PSI GLU 81 -50.00 -30.00 13 13.64 42.35 +++++ ++++*++ + Angle PHI GLN 82 -76.00 -56.00 15 17.95 53.71 + +++++++ ++++*+ + Angle PSI GLN 82 -48.00 -28.00 15 13.56 37.91 ++++*+ +++++ ++++ Angle PHI MET 83 -75.00 -55.00 17 16.16 36.73 + +++*++ +++ +++++++ Angle PSI MET 83 -52.00 -32.00 14 16.74 42.07 +++++++++ ++ * + + Angle PHI LEU 84 -73.00 -53.00 12 11.58 76.05 ++++* ++ + + +++ Angle PSI LEU 84 -52.00 -32.00 9 9.48 37.41 + ++ ++ + +*+ Angle PHI GLU 85 -75.00 -55.00 6 3.95 13.54 ++ * + + + Angle PSI GLU 85 -54.00 -34.00 15 21.54 42.86 +++ + ++ +++ ++*+++ Angle PHI LEU 86 -74.00 -54.00 18 23.76 42.87 ++++++++ +++ +++++*+ Angle PSI LEU 86 -51.00 -31.00 7 10.53 85.97 +++ ++* + Angle PHI LEU 87 -77.00 -57.00 18 19.88 38.36 + +*+++++++++++++++ Angle PSI LEU 87 -51.00 -31.00 15 20.17 43.57 ++++ ++++ + + +*+++ Angle PHI VAL 88 -78.00 -58.00 10 7.29 22.32 ++ + *+ + ++++ Angle PSI VAL 88 -55.00 -35.00 7 6.00 41.14 ++ +++ +* Angle PHI LEU 89 -70.00 -50.00 9 4.84 14.04 *+ + + + ++ ++ Angle PSI LEU 89 -57.00 -37.00 10 5.98 25.26 +++ +++ +* ++ Angle PHI GLU 90 -73.00 -53.00 16 13.53 29.80 +++ +++ ++*+ ++++++ Angle PHI GLN 91 -74.00 -54.00 17 17.69 28.79 ++ +++++++++*+ ++++ Angle PSI GLN 91 -46.00 -26.00 14 21.17 55.89 ++ +++++++ + +++* Angle PHI PHE 92 -74.00 -54.00 8 5.99 22.69 * + ++ ++++ Angle PSI PHE 92 -55.00 -35.00 11 8.37 50.06 *+ ++ ++ + ++++ Angle PSI LEU 93 -49.00 -29.00 12 6.71 26.34 ++++++ *++++ + Angle PHI GLY 94 -80.00 -56.00 14 10.30 38.72 ++++ + +++ +++* ++ Angle PSI PRO 97 132.20 154.90 14 9.97 28.03 ++++*+ +++++ + ++ Angle PSI PRO 98 -46.00 -28.00 11 8.36 30.32 + ++++*+++ ++ Angle PHI GLU 99 -76.00 -56.00 12 9.85 27.84 ++ ++ *+++++ ++ Angle PHI ILE 100 -73.00 -53.00 17 18.60 60.44 ++++ +++++ +++*++++ Angle PSI ILE 100 -52.00 -32.00 8 5.61 19.51 + + + + + *+ + Angle PHI GLN 101 -71.00 -51.00 11 8.94 22.29 ++ *+++ + + + ++ Angle PSI GLN 101 -51.00 -31.00 10 4.46 13.55 + + ++++ + *++ Angle PSI ALA 102 -51.00 -31.00 18 8.52 18.24 +++*+ ++ +++++++++++ Angle PHI ARG 103 -73.00 -53.00 8 4.67 10.03 + +++ +* + + Angle PSI ARG 103 -53.00 -33.00 14 8.11 13.86 + + + ++++*++ ++++ Angle PHI VAL 104 -77.00 -57.00 11 6.46 34.88 + +++ + +*++++ Angle PHI GLN 105 -72.00 -52.00 6 3.66 18.76 ++*+ + + Angle PSI GLN 105 -52.00 -30.00 16 13.16 29.03 +++ *+++++++ +++++ Angle PHI GLY 106 -79.00 -59.00 8 4.15 20.50 *++ + ++ ++ Angle PSI GLY 106 -40.00 -6.00 9 11.17 39.12 +++* + + ++ + Angle PHI GLY 110 58.00 92.00 13 9.68 19.60 + *++ ++++ ++ + + + Angle PSI PRO 112 -44.00 -28.00 10 8.17 23.44 + ++ +++* +++ Angle PHI GLU 113 -75.00 -55.00 8 5.67 26.13 + +++* ++ + Angle PSI GLU 113 -51.00 -31.00 7 5.82 32.43 * + + + + ++ Angle PHI GLU 114 -74.00 -54.00 8 4.52 13.52 + +* + + ++ + Angle PSI GLU 114 -54.00 -34.00 9 4.16 8.04 + ++ ++ + * + + Angle PHI ALA 116 -73.00 -53.00 16 10.85 28.51 ++++ ++++ +++++++ * Angle PSI ALA 116 -50.00 -30.00 6 2.71 7.90 * +++ + + Angle PSI VAL 119 -53.00 -33.00 8 4.44 12.43 + *+ +++ ++ Angle PHI ASP 120 -69.00 -49.00 9 4.54 13.43 ++ * + ++++ + Angle PHI ALA 342 -75.00 -55.00 6 4.50 19.81 + ++ * + + Angle PSI ALA 342 -53.00 -27.00 11 6.82 25.58 *++ +++++ + + + Angle PSI ARG 344 -54.00 -34.00 8 6.00 16.28 ++ + + +++ * Angle PSI LEU 345 -52.00 -32.00 6 2.80 10.09 *+ + + + + Angle PSI ARG 346 -48.00 -28.00 9 5.16 17.18 + * +++ + ++ + Angle PHI PHE 347 -74.00 -54.00 13 7.12 23.65 + + +*+ ++++ + + ++ Angle PSI PHE 347 -49.00 -29.00 12 13.08 29.81 ++ +*+ +++ ++ + + Angle PSI ARG 348 -34.00 -4.00 11 7.19 34.13 + + ++ +*++ + + + Angle PSI CYS 349 -51.00 -5.00 18 11.01 21.12 +++++++++++ ++*++++ Angle PHI PHE 350 -112.00 -54.00 7 4.53 17.03 +++++ * + Angle PSI PHE 350 120.00 140.00 13 8.41 14.88 ++ ++ + + ++ + +*++ Angle PHI HIS 351 -128.00 -90.00 16 10.15 27.01 +++ + +++ +++ +++*++ Angle PHI TYR 352 -106.00 -68.00 12 6.22 16.91 ++ +* ++++++ ++ Angle PSI TYR 352 120.00 140.00 19 11.62 23.32 ++*++++++++++++++++ Angle PSI THR 356 -15.00 15.00 7 4.39 23.89 + + + +* ++ Angle PSI PRO 358 -41.00 -31.00 18 13.72 22.47 ++ ++++*+++++++++++ Angle PHI GLN 359 -77.00 -57.00 6 3.95 17.68 ++ + ++* Angle PSI GLN 359 -46.00 -26.00 16 13.38 47.25 ++++* + ++++++ ++++ Angle PHI ALA 361 -72.00 -52.00 10 5.63 20.94 + + + + +++ ++* Angle PHI ALA 363 -76.00 -56.00 6 3.66 12.03 +* + + ++ Angle PSI ALA 363 -48.00 -28.00 9 5.59 13.45 + + * ++ + ++ + Angle PHI GLN 364 -78.00 -58.00 11 7.84 22.89 ++*++++ +++ + Angle PHI LEU 365 -71.00 -51.00 15 10.42 23.95 + + + ++++++++ +++* Angle PSI LEU 365 -52.00 -32.00 15 12.47 39.09 + ++++++ +++ ++++ * Angle PHI ARG 366 -76.00 -56.00 17 12.29 23.50 +++++ +++++++ *+++ + Angle PHI GLU 367 -79.00 -59.00 9 6.44 23.76 ++ * + +++ ++ Angle PHI LEU 368 -74.00 -54.00 13 10.81 26.14 + +++ ++++ ++*+ + Angle PHI CYS 369 -76.00 -56.00 12 8.26 26.43 + ++ ++*+ ++ +++ Angle PSI CYS 369 -50.00 -30.00 11 6.62 25.85 +++ ++ + ++ ++* Angle PHI ARG 370 -73.00 -53.00 18 18.04 42.02 + ++++++++*++++++++ Angle PHI GLN 371 -76.00 -56.00 6 4.08 14.60 ++* + ++ Angle PSI GLN 371 -47.00 -17.00 14 17.32 42.81 + + + +++++++ + ++ * Angle PHI GLU 376 -78.00 -58.00 13 14.00 51.98 + ++*+ + + ++++ ++ Angle PSI GLU 376 -40.00 -6.00 6 6.73 37.90 * ++ + ++ Angle PHI VAL 377 -118.00 -86.00 6 5.96 32.77 * + + +++ Angle PSI VAL 377 -29.00 -5.00 8 10.58 77.55 ++++* ++ + Angle PHI SER 379 -113.00 -71.00 11 7.83 29.53 +++ *++ + + ++ + Angle PSI SER 379 155.00 175.00 16 17.52 92.26 +++++ ++++ ++++*++ Angle PHI LYS 380 -69.00 -49.00 6 6.40 39.13 + + + + *+ Angle PSI LYS 380 -48.00 -28.00 10 11.64 47.76 +* + +++ +++ + Angle PHI GLU 381 -73.00 -53.00 14 13.63 45.31 ++ ++ ++++ +*+++ + Angle PSI GLU 381 -50.00 -30.00 13 11.78 47.38 + +++++ + ++* +++ Angle PHI GLN 382 -76.00 -56.00 11 17.60 69.30 + ++++ ++*+ + + Angle PSI GLN 382 -48.00 -28.00 14 16.46 40.64 ++++* + +++ +++++ Angle PHI MET 383 -75.00 -55.00 11 11.02 28.11 ++++ +++ ++ * + Angle PSI MET 383 -52.00 -32.00 13 15.11 50.73 + ++*+++ +++ + ++ Angle PHI LEU 384 -73.00 -53.00 13 10.95 42.79 + ++++ +* + ++ ++ + Angle PSI LEU 384 -52.00 -32.00 13 10.11 41.00 * ++++ +++++ + ++ Angle PHI GLU 385 -75.00 -55.00 8 5.35 15.86 + + * + +++ + Angle PSI GLU 385 -54.00 -34.00 17 22.76 37.97 ++++++++ +++ +++++* Angle PHI LEU 386 -74.00 -54.00 17 22.44 44.83 +++++ +++*++ ++++++ Angle PSI LEU 386 -51.00 -31.00 9 11.11 73.20 + ++ + + * + ++ Angle PHI LEU 387 -77.00 -57.00 16 17.87 45.39 ++ +*++++++ +++++ + Angle PSI LEU 387 -51.00 -31.00 15 17.95 45.50 ++++ ++ ++ +* +++++ Angle PHI VAL 388 -78.00 -58.00 11 7.02 32.11 ++ +++ +* + +++ Angle PSI VAL 388 -55.00 -35.00 7 7.08 38.86 +++ + + * + Angle PHI LEU 389 -70.00 -50.00 8 4.61 21.50 ++ + + * ++ + Angle PSI LEU 389 -57.00 -37.00 8 5.24 20.09 +++ ++ + * + Angle PHI GLU 390 -73.00 -53.00 15 11.51 26.51 +++ +++ *+++ + ++++ Angle PHI GLN 391 -74.00 -54.00 16 17.80 30.95 ++ + +*+++++++ ++++ Angle PSI GLN 391 -46.00 -26.00 16 20.47 48.37 +++ +++*+++ ++++++ Angle PHI PHE 392 -74.00 -54.00 6 3.83 20.59 * + ++ + + Angle PSI PHE 392 -55.00 -35.00 14 10.61 54.49 *++++ ++++ +++++ Angle PSI LEU 393 -49.00 -29.00 10 9.01 79.57 + ++ + ++*++ + Angle PHI GLY 394 -80.00 -56.00 14 8.93 26.41 ++ + +*+++ +++ +++ Angle PSI PRO 397 132.20 154.90 15 9.52 19.26 ++*+ ++ ++++++ +++ Angle PSI PRO 398 -46.00 -28.00 15 13.27 32.14 +++ +++ +++ ++*+ ++ Angle PHI GLU 399 -76.00 -56.00 17 13.30 33.61 ++ ++++*+++++++ +++ Angle PHI ILE 400 -73.00 -53.00 18 19.39 60.97 +++++++ +++++++*+++ Angle PHI GLN 401 -71.00 -51.00 9 9.17 28.32 + + ++ * +++ + Angle PSI GLN 401 -51.00 -31.00 9 5.93 13.06 + +++++*+ + Angle PHI ALA 402 -72.00 -52.00 6 4.77 16.79 + +++* + Angle PSI ALA 402 -51.00 -31.00 16 9.06 16.26 +++++ ++ ++++ +*++ + Angle PHI ARG 403 -73.00 -53.00 14 6.32 12.42 ++ +++++++ ++*+ + Angle PSI ARG 403 -53.00 -33.00 16 8.12 15.89 + +++++++++*+ ++++ Angle PHI VAL 404 -77.00 -57.00 14 6.83 22.78 + + ++++ ++++ *+++ Angle PHI GLN 405 -72.00 -52.00 6 4.02 21.81 + ++ ++* Angle PSI GLN 405 -52.00 -30.00 12 11.92 30.63 + +++ +*++ ++++ Angle PHI GLY 406 -79.00 -59.00 11 7.44 34.86 *++ ++ ++ ++ + + Angle PSI GLY 406 -40.00 -6.00 13 14.64 49.65 +++* ++ +++ ++++ Angle PHI GLY 410 58.00 92.00 19 12.83 24.06 ++*+++++++ +++++++++ Angle PSI PRO 412 -44.00 -28.00 9 5.72 18.84 + + + * + ++++ Angle PHI GLU 413 -75.00 -55.00 9 4.75 17.90 ++++++ + + * Angle PHI GLU 414 -74.00 -54.00 8 4.83 15.73 + ++ ++ ++ * Angle PSI GLU 414 -54.00 -34.00 8 4.58 12.28 + + + + * ++ + Angle PHI ALA 416 -73.00 -53.00 14 11.01 30.01 + +++++++ + +++* + Angle PSI ALA 416 -50.00 -30.00 9 4.88 12.70 +*+ ++ + + + + Angle PHI ASP 420 -69.00 -49.00 8 4.68 14.51 * + + +++ + + 22 violated distance constraints. 181 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 3.13 +/- 1.68 A (1.98..7.94 A; 20 structures) Average heavy atom RMSD to mean : 3.67 +/- 1.65 A (2.46..8.39 A; 20 structures)