Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 101.15 46 0.1492 1.96 80 64.0 0.86 49 7.7863 34.60 2 103.42 40 0.1506 2.14 88 64.1 0.67 58 8.1469 32.94 3 107.69 43 0.1538 1.94 86 66.6 0.62 53 8.3163 40.93 4 117.24 62 0.1680 1.53 85 70.7 0.90 64 7.8764 31.97 5 119.64 58 0.1630 1.87 104 73.1 0.67 54 8.0311 41.90 6 120.83 55 0.1696 1.78 107 69.6 0.48 66 8.2861 32.20 7 121.70 61 0.1657 2.20 110 78.8 0.78 51 8.4594 35.00 8 122.12 59 0.1631 1.71 94 71.4 0.68 60 9.0299 42.94 9 124.90 62 0.1672 1.50 116 79.7 0.69 67 8.5615 42.39 10 125.72 59 0.1723 1.94 97 71.9 0.57 62 8.3574 35.94 11 125.94 64 0.1678 2.10 99 76.2 0.54 66 9.1414 50.33 12 126.60 53 0.1637 2.20 117 78.8 0.79 50 8.6759 38.91 13 126.86 57 0.1743 2.01 98 71.1 0.61 55 8.4406 34.74 14 127.18 48 0.1632 2.07 112 78.7 0.92 62 9.6005 54.18 15 128.13 55 0.1674 2.09 95 71.3 0.60 66 9.6254 48.97 16 128.70 66 0.1710 1.98 118 79.3 0.55 70 9.0492 32.52 17 130.05 59 0.1691 1.65 124 84.0 0.62 73 8.5434 39.37 18 131.99 62 0.1647 1.82 121 83.5 0.72 69 9.6156 41.67 19 133.24 67 0.1765 2.29 106 75.7 0.64 60 8.7765 38.72 20 133.40 60 0.1729 1.60 131 85.9 0.64 53 7.7237 42.39 Ave 122.82 57 0.1656 1.92 104 74.7 0.68 60 8.6022 39.63 +/- 8.98 7 0.0071 0.22 14 6.2 0.12 7 0.5732 6.10 Min 101.15 40 0.1492 1.50 80 64.0 0.48 49 7.7237 31.97 Max 133.40 67 0.1765 2.29 131 85.9 0.92 73 9.6254 54.18 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLN 16 - H LEU 17 3.38 6 0.33 1.00 + * + + + + peak 222 Upper H HIS 18 - HD2 HIS 18 3.95 8 0.57 0.91 +++ *+ +++ peak 854 Upper H ASN 19 - QG2 VAL 20 4.03 9 0.46 1.10 +++ + ++ +* + peak 212 Upper HA ASN 19 - H GLY 78 3.93 8 0.61 1.46 +*+ +++ + + peak 947 Upper HB2 ASN 19 - QG2 VAL 71 3.80 12 0.98 2.14 +* + ++++ + + ++ + peak 123 Upper HD22 ASN 19 - HB VAL 71 3.86 8 0.49 1.43 ++ + * ++++ peak 1707 Upper H VAL 20 - QG1 VAL 71 4.06 6 0.47 1.20 *+ + + + + peak 802 H VAL 20 - QG1 VAL 79 Upper QG1 VAL 20 - HB3 PHE 21 4.01 7 0.43 1.17 * + ++ + + + peak 1407 Upper QG2 VAL 20 - H PHE 21 3.44 6 0.48 0.89 * ++ ++ + peak 650 Upper QG2 VAL 20 - HA PHE 21 4.34 8 0.55 1.24 + + ++ + ++* peak 142 Upper H PHE 21 - QD1 ILE 102 5.14 10 0.63 1.71 + ++ +++ *++ + peak 2350 Upper HA PHE 21 - QG1 VAL 71 4.33 10 0.54 1.10 +++ *+++ + + + peak 2424 HA PHE 21 - QG2 VAL 75 Upper HA PHE 21 - H LEU 76 4.11 6 0.32 1.59 * ++ + ++ peak 689 Upper HB2 PHE 21 - H TYR 23 4.73 10 0.69 1.01 + + + *+ ++ +++ peak 1790 Upper HB3 PHE 21 - QG1 VAL 71 3.88 9 0.50 1.21 + + ++*+ ++ + peak 465 Upper QD PHE 21 - QG1 VAL 22 4.21 8 0.52 1.28 ++ + * ++ + + peak 1358 Upper QD PHE 21 - QG1 VAL 71 3.68 7 0.38 1.22 + + ++* + + peak 1774 Upper QD PHE 21 - HG13 ILE 102 4.09 13 0.81 1.99 + ++ +++ ++*+++ + peak 1945 Upper H VAL 22 - QG1 VAL 71 4.16 8 0.50 1.33 + + + ++ + + * peak 1502 H VAL 22 - QG2 VAL 75 Upper H VAL 22 - HA VAL 75 4.64 12 0.68 1.23 ++++ *++ + ++ ++ peak 1501 Upper H VAL 22 - H LEU 76 4.13 8 0.57 1.20 ++ ++ ++ + * peak 696 Upper QG1 VAL 22 - H LYS 74 3.68 7 0.53 1.41 + ++ * + + + peak 1310 Upper H ILE 32 - QD2 LEU 36 3.72 6 0.48 0.62 +* + +++ peak 384 Upper HB ILE 32 - H LEU 36 4.63 11 0.61 0.90 ++ + +*+ +++++ peak 175 Upper H MET 35 - HG LEU 36 4.67 9 0.40 0.83 + ++++++ * + peak 1020 Upper H THR 39 - HA PRO 40 4.09 19 0.74 0.82 +++++ ++++++++++++*+ peak 569 Upper H ILE 42 - QD1 ILE 42 3.33 17 0.82 0.95 +++ ++++++++*++ +++ peak 55 Upper H ALA 45 - H THR 46 3.79 12 0.60 0.71 +*++++++ + + ++ peak 507 Upper H ALA 45 - H VAL 75 4.24 13 0.84 1.57 + + ++ +++ +* + ++ + peak 1393 Upper HA ALA 45 - HA VAL 103 3.85 12 0.79 1.91 ++++++ ++ * + ++ peak 746 Upper HA ALA 45 - H ASP 106 4.43 9 0.51 1.06 + ++++++ +* peak 456 Upper QB ALA 45 - QG2 THR 46 2.88 14 0.79 1.42 +++ +++* +++++ ++ peak 289 Upper QB ALA 45 - H LYS 74 3.67 10 0.59 1.42 ++* + + ++ + ++ peak 1313 Upper QB ALA 45 - HB3 LYS 74 4.12 8 0.53 1.49 + ++ *++ + + peak 484 Upper QB ALA 45 - HG13 ILE 102 3.86 16 0.93 2.01 +++++++++ +* + ++++ peak 294 Upper H THR 46 - HB3 GLU 105 4.97 8 0.47 1.26 ++ ++ + * ++ peak 511 Upper HB THR 46 - HD3 PRO 48 3.69 6 0.49 0.76 * + ++ ++ peak 304 Upper H LEU 47 - HB VAL 71 4.05 8 0.69 1.78 + +* + + + + + peak 663 Upper HB2 LEU 47 - QD1 ILE 102 3.14 13 0.72 1.17 + +++ ++++ + * ++ + peak 1960 Upper HB3 LEU 47 - HG13 ILE 102 4.63 9 0.49 1.08 ++ + ++ + * ++ peak 1519 Upper HG LEU 47 - H PHE 50 4.17 7 0.41 1.50 * + +++ ++ peak 1734 Upper QD1 LEU 47 - H PHE 50 4.38 6 0.35 0.92 + * + + + + peak 1730 Upper QD1 LEU 47 - HB THR 115 5.10 10 0.48 0.98 ++*++ + + + ++ peak 2141 Upper HD2 PRO 48 - HG13 ILE 102 4.50 16 1.43 2.20 +++ ++*+++ ++ + ++++ peak 1921 Upper HD3 PRO 48 - HG13 ILE 102 4.54 11 0.81 1.64 +++ + + + * ++ ++ peak 307 Upper H GLY 49 - QG2 VAL 71 4.58 6 0.36 0.81 + + ++ +* peak 1181 Upper H PHE 50 - HB2 GLU 70 3.85 6 0.45 1.13 + ++ + +* peak 1731 H PHE 50 - HB VAL 71 Upper H PHE 50 - HB3 GLU 70 4.37 10 0.52 1.29 +* + + + + + ++ + peak 1732 Upper H ILE 63 - H TYR 116 4.71 7 0.41 2.10 + ++ * + + + peak 154 Upper HB VAL 64 - HB2 SER 66 3.92 12 0.63 1.05 ++++++*++ + + + peak 1390 Upper QG2 VAL 64 - HB3 PRO 65 3.51 16 0.67 0.80 +*+++++++ ++ +++ + + peak 1753 Upper H LEU 76 - HG LEU 76 3.69 14 0.55 0.84 +++++++ ++ + + ++* peak 683 Upper HB3 LEU 76 - HA MET 77 3.89 11 0.60 1.07 ++ ++ ++*+ +++ peak 529 Upper QG2 VAL 79 - QG2 THR 80 2.94 10 0.59 0.86 ++ + +++++ +* peak 1810 Upper QD2 LEU 84 - QD1 LEU 87 2.99 9 0.52 0.89 +* + ++ + +++ peak 608 Upper H GLU 85 - HG LEU 87 4.00 8 0.56 1.04 * +++ + + + + peak 468 Upper HG LEU 87 - QG2 ILE 119 3.23 9 0.59 0.99 + + + + +++* + peak 1818 Upper HA GLU 96 - H MET 117 4.19 6 0.47 0.94 + *+ + ++ peak 712 Upper H GLY 101 - HG13 ILE 102 4.67 16 1.03 2.07 + ++ ++++++*++++++ peak 1954 Upper HB ILE 102 - QG2 VAL 103 3.78 17 0.87 1.25 ++++ + ++++*++ +++++ peak 725 Upper QD1 ILE 102 - H VAL 103 3.63 16 0.69 0.93 +++ +++++ +++++++* peak 2347 Upper H VAL 103 - HG2 ARG 104 3.94 14 0.95 2.20 ++ ++++ ++*+ ++ ++ peak 1118 Upper H VAL 103 - HD3 ARG 104 4.71 11 0.61 1.56 +++++ *++ ++ + peak 1973 Upper QG2 VAL 103 - H ARG 104 3.09 16 0.73 1.37 +++ +++++++ ++*+ ++ peak 4 Upper QG2 VAL 103 - H SER 108 3.76 9 0.49 1.08 + + + + + ++*+ peak 609 Upper QG2 VAL 103 - HA SER 108 3.47 7 0.39 1.39 + ++++ + * peak 787 Upper H ARG 104 - H ASN 107 4.33 7 0.42 0.88 ++ * ++ + + peak 11 Upper H ARG 104 - H SER 108 4.78 8 0.36 0.96 +++ + * ++ + peak 615 Upper HB2 ARG 104 - H SER 108 4.24 7 0.49 1.29 ++ * + ++ + peak 610 Upper HG2 ARG 104 - H ASP 106 4.17 8 0.41 1.01 + + * ++ ++ + peak 454 Upper H ASP 106 - H SER 108 3.97 7 0.44 0.79 + +*+ + + + peak 453 Upper H ASN 107 - HD21 ASN 107 4.62 8 0.49 1.07 + +* + ++ ++ peak 1769 Upper H GLU 109 - HD2 LYS 110 3.97 11 0.56 0.98 +++ ++ +* +++ + peak 250 Upper HA GLU 109 - H LYS 110 2.68 7 0.43 0.80 ++ ++ + + * peak 97 Upper H MET 111 - H ALA 112 3.50 15 0.75 1.15 + +++++ +++++*++ + peak 265 Upper HB2 LYS 114 - HA TYR 116 5.21 7 0.54 1.16 +++ + + * + peak 875 Upper H GLU 133 - HE1 HIS 139 4.02 9 0.63 0.91 +++++ + +* + peak 1304 Upper HA MET 151 - HG3 GLU 152 4.30 16 0.72 0.88 ++++++++ ++ +*+ + ++ peak 1100 VdW CB LEU 17 - H HIS 18 2.55 14 0.23 0.36 + +++ ++++*+ ++++ VdW HB3 LEU 17 - N HIS 18 2.45 6 0.11 0.27 + ++ + + * VdW HB3 LEU 17 - H HIS 18 1.95 6 0.12 0.53 + +++ + * VdW NE2 HIS 18 - O ASN 19 2.80 6 0.13 0.31 ++ +*+ + VdW O VAL 20 - CB LEU 76 2.90 12 0.21 0.68 ++++ *++ + + +++ VdW CG2 ILE 32 - CD1 ILE 32 3.00 9 0.19 0.23 +++ + ++ *++ VdW CG2 ILE 32 - CD2 LEU 36 3.20 6 0.10 0.24 ++ ++ + * VdW O ASN 33 - CA ASP 37 2.90 11 0.19 0.26 ++ + + + + + +*++ VdW O ASN 33 - HA ASP 37 2.30 11 0.21 0.38 ++++++ + *++ + VdW N VAL 34 - CG2 VAL 34 2.85 10 0.13 0.25 + +*+ ++ + + ++ VdW H VAL 34 - CG2 VAL 34 2.55 9 0.15 0.36 + +++ +* + + + VdW N LEU 36 - CD2 LEU 36 3.05 7 0.09 0.24 +* + + +++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++*+++++++++++++ VdW O SER 44 - HA GLU 105 2.30 7 0.11 0.38 ++ + ++ * + VdW C ALA 45 - O GLY 73 2.80 6 0.12 0.49 +++ + + * VdW O ALA 45 - O GLY 73 2.60 6 0.18 0.79 +++ + * + VdW HA THR 46 - CG1 ILE 102 2.60 6 0.10 0.49 + ++ + + * VdW HA THR 46 - HG12 ILE 102 2.00 6 0.13 0.60 + ++ + + * VdW C THR 46 - HD3 PRO 48 2.50 9 0.18 0.31 +*+ + + + + + + VdW C THR 46 - HA3 GLY 73 2.50 6 0.12 0.60 * ++ + + + VdW O THR 46 - CD PRO 48 2.90 16 0.31 0.53 +++ ++++ + *+++ ++++ VdW O THR 46 - HD3 PRO 48 2.30 8 0.20 0.50 +++ + + + + * VdW N LEU 47 - O VAL 71 2.75 13 0.34 0.72 +++ +++ +++ ++*+ VdW H LEU 47 - O VAL 71 1.80 6 0.18 0.62 +++ + + * VdW CB LEU 47 - O VAL 71 2.90 10 0.23 0.58 * +++ ++ + + ++ VdW HB2 LEU 47 - HA3 GLY 73 2.00 6 0.14 0.59 +++ + + * VdW HB3 LEU 47 - C VAL 71 2.50 12 0.23 0.47 ++ + +++ + * ++++ VdW HB3 LEU 47 - O VAL 71 2.30 12 0.26 0.63 + + *++ ++ + ++++ VdW HG LEU 47 - O LEU 47 2.30 7 0.14 0.40 + * + + +++ VdW CD1 LEU 47 - HB2 PHE 50 2.60 6 0.10 0.38 + ++* ++ VdW O LEU 47 - HA GLU 70 2.30 6 0.17 0.67 * +++ + + VdW O PHE 50 - N GLU 70 2.75 8 0.15 0.44 +++ + *+ ++ VdW O GLN 51 - HA ILE 63 2.30 18 0.28 0.45 +++++* ++++++ ++++++ VdW HA ARG 52 - O CYS 62 2.30 6 0.14 0.38 * + + + ++ VdW O ARG 52 - CB PHE 53 2.90 11 0.17 0.58 +++ +* +++++ + VdW N VAL 64 - CG1 VAL 64 2.85 12 0.13 0.24 +*+++++++ + + + VdW CG1 VAL 64 - C VAL 64 2.90 7 0.12 0.33 + +++ *++ VdW CG2 VAL 64 - C VAL 64 2.90 12 0.18 0.33 +*+++++++ + + + VdW CG1 VAL 71 - N HIS 72 3.05 6 0.10 0.38 ++ +++ * VdW CA GLY 73 - CG1 ILE 102 3.20 6 0.11 0.40 +++ + * + VdW O GLY 78 - O VAL 79 2.60 8 0.16 0.40 + + ++ ++*+ VdW CG1 VAL 79 - C VAL 79 2.90 12 0.23 0.30 +++++*+ + ++ + + VdW O LEU 84 - HG LEU 87 2.30 7 0.15 0.39 ++ + ++ * + VdW CG2 VAL 100 - C VAL 100 2.90 8 0.13 0.28 + + ++ * ++ + VdW O GLY 101 - CG2 ILE 102 2.90 7 0.13 0.40 +++ + * + + VdW N ILE 102 - CD1 ILE 102 3.05 12 0.28 0.56 +++ + +++ * + ++ + VdW N VAL 103 - CG2 VAL 103 2.85 10 0.14 0.24 *+ + ++ + +++ + VdW O VAL 103 - C ARG 104 2.80 12 0.25 0.48 +++++ *+ ++ + + + VdW O VAL 103 - O ARG 104 2.60 11 0.32 0.92 ++ ++ ++ +++ * + VdW O ARG 104 - N ASN 107 2.75 6 0.09 0.29 + + + * + + VdW H GLU 105 - CG GLU 105 2.55 11 0.20 0.40 +++ + ++ + *++ + VdW O ASP 106 - CB ASN 107 2.90 7 0.15 0.56 + *++ + + + VdW C ASN 107 - H GLU 109 2.45 8 0.20 0.61 + +* +++ ++ VdW CB GLU 109 - H LYS 110 2.55 8 0.14 0.40 + ++ ++ +* + VdW HA ASP 123 - CD PRO 124 2.60 7 0.15 0.31 + ++ +* ++ VdW O GLU 134 - C TRP 135 2.80 9 0.16 0.27 ++ + +++ *++ VdW O GLU 134 - N ARG 137 2.75 8 0.17 0.37 +++++ + + * VdW O GLU 134 - N LEU 138 2.75 11 0.17 0.27 ++ + + + + +++ *+ VdW HA TRP 135 - HB2 HIS 139 2.00 13 0.22 0.38 ++ + ++ + * ++++ ++ VdW HA TRP 135 - CG HIS 139 2.60 6 0.13 0.40 + ++ *+ + VdW HA TRP 135 - ND1 HIS 139 2.50 14 0.22 0.42 ++++ ++ + + ++++ +* VdW O TRP 135 - C HIS 139 2.80 11 0.16 0.27 ++*++++ ++ + + VdW C LEU 138 - H LYS 140 2.45 19 0.34 0.48 +++++++++*+ ++++++++ VdW N HIS 139 - CD2 HIS 139 3.05 10 0.15 0.24 ++ ++ * + +++ + VdW CG2 ILE 144 - CD1 ILE 144 3.00 12 0.17 0.32 ++ +++++ + + +*+ VdW CG GLU 145 - C GLU 145 2.90 6 0.13 0.24 + +++ + * VdW HG2 GLU 145 - C GLU 145 2.50 6 0.09 0.38 *++++ + VdW CG LYS 148 - C LYS 148 2.90 7 0.08 0.23 ++++ + *+ VdW HG2 LYS 148 - C LYS 148 2.50 7 0.17 0.50 ++++ + *+ VdW CG2 ILE 150 - CD1 ILE 150 3.00 6 0.12 0.30 + * +++ + Angle PHI ASN 19 -143.00 -93.00 9 3.68 11.28 + ++ + ++ + + * Angle PSI ASN 19 126.00 156.00 13 9.75 25.05 ++++ + ++ ++ *+ ++ Angle PHI VAL 20 -132.00 -112.00 8 4.26 19.49 + + ++ ++*+ Angle PSI VAL 20 124.00 144.00 17 13.72 31.39 +++++++ ++++ ++*+++ Angle PHI PHE 21 -129.00 -95.00 7 8.40 42.94 + + *+ ++ + Angle PSI VAL 22 135.00 169.00 19 10.97 17.92 ++++++++++++++*++ ++ Angle PSI PRO 29 -39.00 -29.00 15 5.23 6.62 +++*+++++ + + ++ ++ Angle PHI VAL 31 -76.00 -56.00 19 7.11 8.44 +*+++++++++++++++++ Angle PHI VAL 34 -81.00 -61.00 19 10.30 16.61 +++++*+++++++++ ++++ Angle PSI MET 35 -35.00 -15.00 11 7.20 14.21 ++ + + +* +++++ Angle PHI THR 39 -125.00 -97.00 17 7.01 14.33 +++++*+++ ++++++++ Angle PSI THR 39 120.00 150.00 8 4.25 12.89 + ++* + + + + Angle PSI PRO 40 116.00 150.00 10 4.70 6.63 + ++ +++ ++ +* Angle PSI ILE 42 123.00 143.00 7 4.20 11.82 ++++ +*+ Angle PHI VAL 43 -130.00 -110.00 19 11.27 22.60 ++++++++++++++++ ++* Angle PHI SER 44 -115.00 -77.00 17 12.97 24.00 +++++ + *+++ +++++++ Angle PSI SER 44 123.00 143.00 14 9.17 21.21 ++++++++ + ++ +* + Angle PSI ALA 45 131.00 157.00 16 18.02 36.30 +++ ++++++ ++ + +*++ Angle PSI THR 46 118.00 138.00 17 16.67 38.91 +++ ++++++ *+++ ++++ Angle PSI LEU 47 94.00 144.00 20 21.42 27.62 +++++++++++++*++++++ Angle PSI PRO 48 136.00 156.00 17 15.47 37.30 + +++ +++++++++++*+ Angle PSI PHE 50 145.00 175.00 6 3.72 19.38 + + ++ * + Angle PSI GLN 51 141.00 167.00 6 2.59 7.76 * + + + ++ Angle PSI ARG 52 118.00 150.00 14 7.61 17.47 + +++*++ +++ ++++ Angle PSI CYS 62 148.00 170.00 6 5.04 19.70 +* ++ + + Angle PHI ILE 63 -151.00 -129.00 12 10.10 19.85 + ++ +++ ++ + + *+ Angle PSI ILE 63 146.00 170.00 7 3.85 8.68 * ++ ++ + + Angle PSI GLU 67 -36.00 -14.00 7 3.31 9.20 + + + + + +* Angle PSI LYS 68 1.00 25.00 10 4.58 14.14 + + ++ ++++ *+ Angle PHI VAL 71 -144.00 -114.00 7 4.20 9.93 ++ * + ++ + Angle PSI VAL 71 120.00 142.00 16 16.49 38.72 +++ ++++++ ++ ++++* Angle PHI LYS 74 -148.00 -128.00 16 10.41 23.86 ++++*+++++ + + ++++ Angle PSI LYS 74 146.00 170.00 20 25.77 54.18 +++++++++++++*++++++ Angle PHI VAL 75 -136.00 -112.00 20 18.04 33.41 ++++++++++++*+++++++ Angle PSI VAL 75 117.00 149.00 19 25.58 42.39 ++++++++*++++ ++++++ Angle PHI LEU 76 -116.00 -96.00 17 13.74 29.96 +++++*+ ++++ ++++++ Angle PSI LEU 76 104.00 128.00 12 6.31 13.63 + + ++++* + ++ ++ Angle PSI MET 77 120.00 178.00 7 4.85 13.69 +++ ++ + * Angle PSI SER 81 -48.00 -28.00 12 5.31 14.62 + + + +*+++++ ++ Angle PSI LEU 84 -51.00 -31.00 7 3.83 9.24 + ++ + * + + Angle PHI GLU 96 -157.00 -125.00 6 3.96 18.77 + + *+ ++ Angle PSI GLU 96 129.00 163.00 8 5.69 30.42 + + ++ + *++ Angle PHI ARG 97 -112.00 -88.00 6 4.85 24.90 + + + + *+ Angle PHI THR 99 -108.00 -88.00 6 3.30 13.16 + ++ * + + Angle PSI THR 99 127.00 151.00 6 3.40 17.97 + +++ + * Angle PSI VAL 100 149.00 169.00 7 6.36 24.92 + + +*++ + Angle PHI GLY 101 -140.00 -82.00 17 14.67 28.27 +++*+ ++++++ +++++ + Angle PSI GLY 101 123.00 153.00 18 20.29 40.93 ++*++ ++++++++++++ + Angle PHI ILE 102 -140.00 -120.00 17 13.54 24.84 ++++++*++ +++ ++++ + Angle PHI VAL 103 -130.00 -84.00 19 17.96 33.75 ++++++++++++*++ ++++ Angle PSI VAL 103 108.00 152.00 15 11.73 34.25 ++++ ++ *++++++++ Angle PSI GLU 105 -55.00 -35.00 20 14.14 21.80 +++++++++++*++++++++ Angle PHI SER 108 -88.00 -50.00 7 3.19 12.56 +*+ ++ + + Angle PHI LYS 110 -109.00 -67.00 8 4.52 13.49 ++ ++ + +* + Angle PSI LYS 110 125.00 147.00 11 12.83 50.33 +++ ++ * +++ ++ Angle PHI MET 111 -157.00 -93.00 8 7.75 44.65 + +* ++++ + Angle PSI MET 111 134.00 160.00 11 9.36 28.81 ++ + + + +* + +++ Angle PHI ALA 112 -119.00 -87.00 13 6.91 19.02 +++ ++ +* + + ++++ Angle PSI VAL 113 147.00 173.00 11 7.84 24.16 + + +*++++++ + Angle PHI TYR 116 -125.00 -97.00 12 9.03 23.15 ++ + +* ++ +++++ Angle PSI TYR 116 109.00 139.00 6 2.69 10.75 + + + + * + Angle PSI MET 117 113.00 151.00 9 8.27 41.67 ++ + + ++*++ Angle PSI PHE 132 -54.00 -34.00 7 4.31 14.11 + + * ++ ++ Angle PSI GLU 134 -50.00 -30.00 20 27.53 35.08 ++++*+++++++++++++++ Angle PHI TRP 135 -74.00 -54.00 17 12.51 20.84 +++++++ + ++++++ *++ Angle PSI TRP 135 -52.00 -32.00 6 2.90 11.16 + + + + + * Angle PHI LYS 136 -72.00 -52.00 13 12.02 24.17 ++ + ++ + * ++++ ++ Angle PSI LYS 136 -49.00 -29.00 18 8.70 13.35 ++ + +++*+++++++++++ Angle PHI ARG 137 -74.00 -54.00 20 12.05 32.25 +++++++++++*++++++++ Angle PSI ARG 137 -51.00 -31.00 19 15.27 30.75 +++++++*+++ ++++++++ Angle PHI LEU 138 -91.00 -71.00 11 9.36 38.27 ++ *++ + ++ +++ Angle PSI LEU 138 -45.00 -15.00 11 6.22 15.92 +++*++ + + + + + Angle PHI HIS 139 -115.00 -77.00 10 5.88 12.64 + + ++* ++ ++ + Angle PSI HIS 139 -37.00 5.00 15 6.84 11.22 +*+++++ ++++ ++++ Angle PSI ILE 144 -54.00 -34.00 7 3.99 9.24 + +* ++ + + Angle PSI PHE 147 -51.00 -31.00 8 4.82 12.73 ++++ ++ *+ Angle PHI LYS 148 -74.00 -54.00 8 4.42 12.88 + + * + +++ + Angle PHI LYS 149 -74.00 -54.00 7 4.93 11.65 *+++ + ++ Angle PSI MET 151 -48.00 -28.00 12 5.48 9.49 *+++ +++ ++ ++ + Angle PSI GLU 152 -51.00 -31.00 16 6.10 10.98 ++++++++ ++ ++* + ++ Angle PHI CYS 153 -71.00 -51.00 18 6.45 9.54 ++++++ +*+++++ +++++ 78 violated distance constraints. 81 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.12 +/- 2.51 A (3.97..14.17 A) Average heavy atom RMSD to mean : 7.70 +/- 2.51 A (4.52..14.62 A)