Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 500.12 27 0.2277 3.48 401 215.8 0.76 13423.1097122.62 2 504.92 24 0.2259 2.95 398 218.3 0.79 11823.1871 73.44 3 506.15 24 0.2381 3.79 457 242.7 0.85 12220.2418 80.46 4 512.93 25 0.2267 4.50 413 224.0 0.92 11423.4409108.77 5 525.10 28 0.2298 3.67 367 212.2 0.86 13424.6313106.10 6 528.46 27 0.2352 3.64 449 244.1 0.80 10821.9017 88.37 7 540.55 30 0.2298 3.38 463 250.6 0.82 12724.0935 87.84 8 542.53 30 0.2262 2.73 494 282.2 1.16 11920.8112 70.24 9 551.97 28 0.2451 5.00 411 221.3 1.05 11723.9103106.94 10 560.91 35 0.2396 3.65 420 230.4 1.31 12223.5786 97.12 11 561.63 29 0.2412 3.48 427 233.3 0.99 12024.1288 82.11 12 562.55 38 0.2536 3.69 454 248.2 0.97 11721.0630 73.93 13 564.86 39 0.2480 4.13 413 228.8 0.84 12223.5257 77.67 14 567.69 35 0.2355 2.81 432 237.6 1.29 12824.6235 88.04 15 570.28 33 0.2387 2.88 486 269.1 1.23 12322.1585115.52 16 571.77 27 0.2300 3.32 529 277.2 1.20 13124.7932103.45 17 583.37 41 0.2550 3.92 426 230.1 0.77 12823.7960 76.70 18 586.18 31 0.2426 4.06 469 256.4 0.84 12624.4936 82.92 19 586.34 30 0.2465 3.80 490 269.4 1.08 12722.8689 78.05 20 588.20 28 0.2392 3.49 462 252.5 0.87 13825.2328 80.27 Ave 550.83 30 0.2377 3.62 443 242.2 0.97 12423.2795 90.03 +/- 28.35 5 0.0087 0.55 38 20.3 0.18 7 1.3607 15.08 Min 500.12 24 0.2259 2.73 367 212.2 0.76 10820.2418 70.24 Max 588.20 41 0.2550 5.00 529 282.2 1.31 13825.2328122.62 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 GLU 9 - H GLY 69 3.56 6 1.10 2.74 ++ *+ ++ peak 1118 H GLY 69 - HB3 GLU 105 H GLY 69 - HB3 LYS 121 H GLY 69 - HB2 PRO 124 HG LEU 84 - H VAL 103 H VAL 103 - HG2 LYS 141 H VAL 103 - HG3 LYS 155 Upper H CYS 10 - H GLY 49 3.60 7 1.24 2.38 + *+ + + + + peak 1066 H GLY 49 - H GLY 78 H GLY 49 - H ASP 82 H GLY 49 - H THR 99 H GLY 49 - H GLN 160 H GLY 49 - H ASN 162 H GLY 49 - H ASP 163 H ASN 19 - H ARG 97 H THR 46 - H ARG 97 H GLY 73 - H ARG 97 Upper H LEU 15 - H ASN 107 3.41 7 1.07 2.45 * +++ + + + peak 325 H GLN 16 - H ASN 107 H GLU 70 - H ASN 107 H ASN 107 - H GLU 145 H ASN 107 - H THR 146 H ASP 123 - HA GLU 134 HA GLU 134 - H LYS 149 H ASP 123 - HA TRP 135 HA LYS 140 - H LYS 149 Upper H LEU 15 - H ASN 107 3.68 9 1.34 2.90 + ++ * ++ ++ + peak 711 H GLN 16 - H ASN 107 H GLU 70 - H ASN 107 H ASN 107 - H GLU 145 H ASN 107 - H THR 146 HB3 GLN 16 - H MET 117 HB ILE 32 - H MET 117 HB2 GLU 70 - H MET 117 HB3 GLU 94 - H MET 117 Upper HG LEU 17 - H ILE 102 3.39 8 1.62 4.50 ++ *+ + +++ peak 1615 HB2 LEU 47 - H ILE 102 HB ILE 63 - H ILE 102 HG12 ILE 63 - H ILE 102 QG1 VAL 90 - HD21 ASN 162 Upper H HIS 18 - H VAL 20 3.31 6 1.22 2.34 + + + * + + peak 1193 H VAL 20 - H LEU 76 H VAL 20 - H VAL 113 HB ILE 32 - H LEU 36 H LEU 36 - HB3 MET 111 H LEU 36 - HB3 GLU 133 H LEU 36 - HB ILE 144 Upper H HIS 18 - HA2 GLY 73 3.68 8 1.11 2.41 + ++ +* +++ peak 891 HA2 GLY 73 - H LEU 76 HA2 GLY 73 - H VAL 113 HA VAL 20 - H VAL 113 Upper H HIS 18 - HA2 GLY 73 4.49 6 0.97 2.38 * + + + + + peak 935 HA2 GLY 73 - H LEU 76 HA2 GLY 73 - H VAL 113 H CYS 62 - HA ARG 97 H CYS 62 - HA ILE 102 Upper H ASN 19 - H ILE 63 3.92 7 1.20 2.50 + + +* + + + peak 1357 H THR 46 - H ILE 63 H ILE 63 - H GLY 73 H ILE 63 - H ASP 88 H ILE 63 - H TRP 118 H ILE 63 - H ASP 125 QG1 VAL 22 - HA TYR 95 Upper HD22 ASN 19 - H VAL 34 3.64 8 1.17 2.76 + + *+ + + ++ peak 1195 HD22 ASN 19 - H ARG 38 HA CYS 10 - H LEU 36 H LEU 36 - HA ALA 122 H LEU 36 - HA ASP 123 Upper H ASP 30 - HA ILE 32 3.89 6 1.25 3.27 + +* + ++ peak 1214 HA ILE 32 - H GLY 49 HA ILE 32 - H GLN 51 HA ILE 32 - H GLN 158 H HIS 5 - HD3 PRO 40 HD3 PRO 40 - H GLU 94 HA LEU 84 - H GLU 94 H GLU 94 - HD3 PRO 124 Upper H VAL 31 - H VAL 34 3.73 6 0.80 1.86 ++ * + ++ peak 420 H VAL 34 - H TYR 116 H VAL 34 - H LYS 121 H ASP 30 - HD2 PRO 48 H ASP 30 - HD3 PRO 48 H ASP 30 - HA2 GLY 49 Upper HB VAL 31 - HG13 ILE 42 3.36 6 0.94 2.20 ++ *+ + + peak 717 HB VAL 31 - QD1 ILE 42 HG2 MET 77 - QG1 VAL 90 HG3 MET 77 - QG1 VAL 90 HA ILE 32 - H ASP 123 HA ILE 32 - H TRP 135 H TRP 135 - HA ILE 150 H TRP 135 - HD2 PRO 157 Upper HB VAL 31 - H MET 117 3.24 8 1.23 2.40 + + ++++ * + peak 797 HB VAL 113 - H MET 117 H VAL 20 - HB VAL 75 H VAL 20 - HB3 LEU 76 Upper HB VAL 31 - H TRP 118 3.37 6 1.01 2.56 + + ++* + peak 254 HB VAL 113 - H TRP 118 HD2 ARG 137 - H LYS 154 HD3 ARG 137 - H LYS 154 Upper H VAL 34 - H ASP 125 3.92 6 0.94 2.91 + + + + *+ peak 833 H ARG 38 - H ASP 125 H ALA 89 - H ASP 125 HA ALA 45 - H VAL 75 HA GLU 70 - H VAL 75 Upper HB3 MET 35 - H ARG 104 4.00 9 1.44 3.79 + * + + + + + + + peak 84 HB3 LEU 36 - H ARG 104 HB3 ARG 38 - H ARG 104 HB2 PRO 48 - H ARG 104 HB3 LEU 76 - H ARG 104 H ARG 104 - HG3 PRO 124 H ARG 104 - HB ILE 150 H LEU 15 - H GLU 83 H LEU 15 - H GLU 85 Upper H THR 39 - H VAL 113 3.73 8 1.21 2.57 + ++ ++*+ + peak 800 H VAL 43 - H VAL 113 H GLU 94 - H VAL 113 H ILE 102 - H VAL 113 H VAL 20 - HB VAL 31 H VAL 20 - HG3 GLU 83 H VAL 20 - HB3 TYR 116 Upper H VAL 43 - H VAL 75 3.65 6 0.93 2.05 + * +++ + peak 37 H VAL 75 - H GLU 94 H VAL 75 - H ILE 102 HA VAL 20 - H ALA 112 H ALA 112 - HA TYR 116 Upper HA SER 44 - H ASN 120 3.99 7 1.02 2.95 * + + +++ + peak 1422 HA PRO 48 - H ASN 120 HB THR 80 - H ASN 120 HA GLU 96 - H ASN 120 HA ASN 107 - H ASN 120 QG1 VAL 31 - H ARG 54 Upper H LEU 47 - H VAL 100 4.12 7 1.10 4.06 ++ ++ + * + peak 488 H VAL 100 - H ARG 104 H HIS 18 - H SER 81 H SER 81 - H VAL 113 Upper HD2 PRO 48 - H LEU 138 3.80 7 1.06 2.26 ++ *+ + + + peak 863 H LEU 138 - HA LYS 140 H LEU 138 - HB THR 146 H HIS 18 - QG2 VAL 34 H HIS 18 - QG1 VAL 43 H HIS 18 - QG2 VAL 90 H HIS 18 - QD1 ILE 144 Upper HG13 ILE 63 - HB ILE 119 3.62 13 1.76 3.38 ++++++* ++++++ peak 1002 HB ILE 119 - HG12 ILE 150 H GLU 109 - H LEU 138 H LEU 138 - H GLU 145 H LEU 138 - H THR 146 Upper HB3 HIS 72 - HD22 ASN 107 3.46 7 1.31 5.00 ++ * ++ + + peak 859 HD22 ASN 107 - HA2 GLY 128 H HIS 18 - H VAL 79 H HIS 18 - H SER 81 Upper HG3 GLU 85 - H GLU 133 3.25 6 1.22 3.67 ++ * + + + peak 511 H GLU 133 - HG3 GLU 145 H THR 46 - HG2 PRO 48 H THR 46 - HB3 MET 117 H THR 46 - HB3 GLN 158 VdW HG2 PRO 29 - H ASP 30 1.95 6 0.11 0.29 + + + + + * VdW CB ASP 30 - H VAL 31 2.55 7 0.12 0.36 +* + ++ + + VdW C ASP 30 - H ILE 32 2.45 7 0.14 0.70 +++ + *+ + VdW N VAL 31 - CG2 VAL 31 2.85 6 0.11 0.24 + + ++* + VdW CG2 ILE 32 - CD1 ILE 32 3.00 7 0.13 0.32 ++ +++ + * VdW C VAL 34 - H LEU 36 2.45 6 0.11 0.50 + * + ++ + VdW C MET 35 - H ASP 37 2.45 6 0.12 0.53 * + + + ++ VdW HA THR 39 - CD PRO 40 2.60 10 0.16 0.30 ++ + * ++ ++ ++ VdW O PRO 40 - CB GLU 41 2.90 6 0.12 0.53 +++ * + + VdW CB GLU 41 - H ILE 42 2.55 8 0.13 0.40 + + + ++ * ++ VdW O VAL 43 - N ALA 45 2.75 8 0.21 0.59 ++ + +++ + * VdW CG2 THR 46 - C THR 46 2.90 6 0.08 0.32 *++ + ++ VdW HA LEU 47 - CD PRO 48 2.60 11 0.18 0.31 +++ * ++ +++++ VdW CD1 LEU 47 - C LEU 47 3.10 7 0.19 0.69 + + + * ++ + VdW CD1 LEU 47 - O LEU 47 2.90 7 0.15 0.60 ++ + * ++ + VdW CD2 LEU 47 - C LEU 47 3.10 6 0.11 0.55 + * + + + + VdW HA VAL 64 - CD PRO 65 2.60 10 0.16 0.30 ++ ++++ *+ ++ VdW CG1 VAL 64 - C VAL 64 2.90 9 0.13 0.33 + +++ + ++* + VdW CB LYS 68 - H GLY 69 2.55 6 0.11 0.40 + +++ + * VdW CG1 VAL 79 - C VAL 79 2.90 9 0.14 0.33 +++ *++ ++ + VdW C ASP 82 - N LEU 84 2.95 6 0.12 0.41 + + * + + + VdW O ASP 82 - N LEU 84 2.75 7 0.15 0.67 + + + + * + + VdW O ASP 82 - CB ASN 86 2.90 6 0.13 0.48 + + * + ++ VdW C GLU 83 - H GLU 85 2.45 6 0.10 0.58 +* + + + + VdW CB LEU 87 - H ASP 88 2.55 9 0.17 0.40 + + + + ++ * ++ VdW CB GLU 94 - H TYR 95 2.55 7 0.14 0.39 ++ + + + +* VdW CG ARG 97 - HB VAL 113 2.60 6 0.15 0.74 + + *+ ++ VdW O SER 108 - CB GLU 109 2.90 6 0.13 0.58 + + ++ * + VdW C LYS 114 - OG1 THR 115 2.80 10 0.14 0.34 ++ +++ + ++ + * VdW O LYS 114 - CB THR 115 2.90 8 0.19 0.57 + +++ +++ * VdW O LYS 114 - OG1 THR 115 2.60 10 0.28 0.81 + +++ + ++* + + VdW CB THR 115 - H TYR 116 2.55 10 0.21 0.42 ++ ++ + ++* + + VdW HB THR 115 - H TYR 116 1.95 6 0.11 0.51 * + + + + + VdW CG2 THR 115 - H TYR 116 2.55 6 0.12 0.49 + + + +*+ VdW CG2 ILE 119 - CD1 ILE 119 3.00 10 0.15 0.33 *++++ ++ + ++ VdW C ILE 119 - H LYS 121 2.45 7 0.14 0.54 *++ + + ++ VdW O ASN 120 - CB LYS 121 2.90 7 0.16 0.56 +* ++ + + + VdW O LYS 121 - CB ALA 122 2.90 7 0.16 0.57 + ++++ +* VdW C ALA 122 - HD2 PRO 124 2.50 6 0.11 0.41 ++ * +++ VdW N ASP 123 - CD PRO 124 3.05 8 0.23 0.81 * +++ ++++ VdW N ASP 123 - HD2 PRO 124 2.45 7 0.14 0.65 *++ + +++ VdW C ASP 123 - H ASP 125 2.45 8 0.17 0.38 +* + + + + + + VdW CB GLU 133 - N ILE 150 3.05 6 0.13 0.43 ++ + + *+ VdW CB GLU 133 - HA ILE 150 2.60 8 0.14 0.52 + + ++++* + VdW C LYS 136 - N LEU 138 2.95 10 0.17 0.45 +* + + + ++++ + VdW C LYS 136 - H LEU 138 2.45 11 0.26 0.75 +*+ + + ++++ ++ VdW O LYS 136 - N LEU 138 2.75 9 0.18 0.66 +* + + + +++ + VdW O HIS 139 - N LYS 141 2.75 6 0.18 0.93 +*+++ + VdW C LYS 140 - N LYS 142 2.95 8 0.14 0.42 + +* + +++ + VdW C LYS 140 - H LYS 142 2.45 10 0.20 0.74 +++ +* + +++ + VdW O LYS 140 - N LYS 142 2.75 8 0.16 0.68 + +* + +++ + VdW C LYS 141 - N PHE 143 2.95 9 0.18 0.50 +++ + * ++ + + VdW C LYS 141 - H PHE 143 2.45 9 0.22 0.75 +++ + + + * + + VdW O LYS 141 - N PHE 143 2.75 9 0.20 0.78 +++ + * ++ ++ VdW CG2 ILE 144 - CD1 ILE 144 3.00 11 0.16 0.31 +* + ++++ + +++ VdW O ILE 144 - C GLU 145 2.80 6 0.13 0.47 +*+ + + + VdW HG3 GLU 145 - C GLU 145 2.50 8 0.16 0.46 ++++ +*+ + VdW C GLU 145 - N PHE 147 2.95 7 0.13 0.47 + + + + + *+ VdW O GLU 145 - N PHE 147 2.75 6 0.16 0.77 + + + + *+ VdW O GLU 145 - N LYS 148 2.75 7 0.14 0.52 ++ + + ++* VdW O THR 146 - CG2 ILE 150 2.90 6 0.10 0.39 ++ ++ * + VdW C LYS 149 - N MET 151 2.95 8 0.14 0.34 + + + * ++ + + VdW O LYS 149 - C ILE 150 2.80 7 0.19 0.46 *+ ++ + + + VdW O LYS 149 - N MET 151 2.75 10 0.19 0.63 * + ++ + ++ ++ + VdW O LYS 149 - N GLU 152 2.75 6 0.15 0.62 ++ + + * + VdW CG2 ILE 150 - CD1 ILE 150 3.00 8 0.14 0.33 + + + ++ + *+ VdW CG2 ILE 150 - C ILE 150 2.90 6 0.13 0.33 *+ + +++ VdW HA LYS 156 - CD PRO 157 2.60 7 0.14 0.30 ++ + + + *+ Angle PHI HIS 18 -140.00 -116.00 16 14.44 29.06 +++ + +++ +++++*+++ Angle PSI HIS 18 138.00 158.00 16 14.19 45.29 + + + ++++ ++++++*++ Angle PHI ASN 19 -138.00 -88.00 8 12.79 57.23 * +++ ++ ++ Angle PSI ASN 19 124.00 156.00 15 22.97 43.20 +*+ +++++++ ++ + + + Angle PHI VAL 20 -133.00 -113.00 16 18.59 97.12 ++ ++ +++*+ ++++ +++ Angle PSI VAL 20 118.00 144.00 13 10.67 36.12 *++++ +++ ++++ + Angle PHI PHE 21 -128.00 -94.00 12 11.65 48.39 +*++++++++ ++ Angle PSI PHE 21 124.00 148.00 10 10.33 46.44 + + +++*+ +++ Angle PHI VAL 22 -137.00 -101.00 11 6.15 17.88 +* +++ ++ + +++ Angle PSI PRO 29 -39.00 -29.00 20 28.64 64.61 *+++++++++++++++++++ Angle PHI ASP 30 -76.00 -56.00 19 26.35 79.20 ++ +++++++++++*+++++ Angle PSI ASP 30 -48.00 -28.00 15 28.20 60.86 +++*++ ++ + ++++++ Angle PHI VAL 31 -76.00 -56.00 17 29.95 71.45 + +++ *+++++++ +++++ Angle PSI VAL 31 -53.00 -31.00 19 19.68 55.07 +++++*++++++++++++ + Angle PHI ILE 32 -73.00 -53.00 18 33.67 84.72 +++*+++ ++++++ +++++ Angle PSI ILE 32 -55.00 -35.00 16 19.56 62.13 ++++++ +++ + ++*+++ Angle PHI ASN 33 -74.00 -54.00 14 9.07 40.84 +++++ ++ + +*+ ++ + Angle PSI ASN 33 -52.00 -32.00 13 15.05 59.30 ++ + + +++ + +++*+ Angle PHI VAL 34 -81.00 -61.00 17 15.94 40.25 +++++ + +++ +++++*++ Angle PSI VAL 34 -51.00 -31.00 10 7.67 40.03 + +++ +*+++ + Angle PHI MET 35 -78.00 -58.00 11 12.51 50.77 + + +++*+ ++ ++ Angle PSI MET 35 -35.00 -15.00 11 8.38 30.44 +++ ++ + ++ *++ Angle PHI LEU 36 -115.00 -83.00 9 10.15 43.25 + +++ + +*+ + Angle PSI LEU 36 -34.00 10.00 9 7.85 28.72 + + + +*+ ++ + Angle PHI THR 39 -125.00 -97.00 10 6.91 23.93 ++ ++ + + +* ++ Angle PSI THR 39 120.00 150.00 14 13.05 36.83 +++ ++ ++*+++++ + Angle PSI PRO 40 116.00 150.00 10 10.70 40.66 *+ + ++ + ++ + + Angle PHI ILE 42 -126.00 -96.00 16 11.40 30.52 +++ +++ + +*+++++++ Angle PSI ILE 42 124.00 144.00 16 16.88 67.62 + +++* + +++++ +++++ Angle PHI VAL 43 -132.00 -112.00 16 14.58 44.71 + + +++++++++ + +++* Angle PSI VAL 43 115.00 145.00 17 26.05 60.66 +++*+++++ +++++ +++ Angle PHI SER 44 -113.00 -77.00 16 18.14 50.43 +++ ++ ++++++++++ * Angle PSI SER 44 124.00 144.00 17 39.19 91.94 ++++ +++*++++++ +++ Angle PHI ALA 45 -145.00 -125.00 17 31.19 82.92 +++++ ++++++ ++++*+ Angle PSI ALA 45 131.00 157.00 18 22.35 74.59 +++++++*+++ +++++++ Angle PHI THR 46 -134.00 -92.00 14 13.49 39.19 ++ ++* +++ +++ ++ + Angle PSI THR 46 118.00 138.00 16 19.80 58.31 +++++ + ++++ + +*+++ Angle PHI LEU 47 -131.00 -99.00 15 16.85 42.85 ++ ++*++ + + ++++++ Angle PSI LEU 47 93.00 143.00 6 6.54 36.48 + + + *++ Angle PSI PRO 48 133.00 147.00 18 31.89 78.41 +++++++*+ +++++++++ Angle PHI PHE 50 -149.00 -103.00 14 23.93 52.75 ++++ + +++++++ * + Angle PSI PHE 50 145.00 175.00 15 20.65 65.35 ++++++ ++*+ + + +++ Angle PHI GLN 51 -164.00 -140.00 9 6.80 20.96 + + *+++++ + Angle PSI GLN 51 141.00 167.00 10 6.34 20.28 + *+ + + +++++ Angle PHI ARG 52 -136.00 -94.00 9 6.10 23.97 + *+ + + + +++ Angle PSI ARG 52 113.00 141.00 7 4.94 18.63 + + ++ + * + Angle PHI CYS 62 -150.00 -116.00 7 4.15 18.58 +* +++ + + Angle PSI CYS 62 149.00 169.00 11 8.76 27.22 *++ ++ +++ ++ + Angle PHI ILE 63 -151.00 -129.00 14 16.68 42.36 + *++ ++ + ++ +++++ Angle PSI ILE 63 146.00 170.00 11 9.92 25.46 + ++ + * + +++++ Angle PHI VAL 64 -151.00 -127.00 12 10.37 29.57 +++ + + ++ + + *++ Angle PSI VAL 64 146.00 170.00 9 12.67 49.18 + + ++ +*+++ Angle PHI SER 66 -124.00 -76.00 10 10.56 28.31 ++ *+ ++++ + + Angle PSI SER 66 99.00 147.00 10 12.40 47.90 + + +++ ++ *+ + Angle PHI GLU 67 -72.00 -52.00 14 17.83 55.79 ++ ++++* +++ ++ ++ Angle PSI GLU 67 -36.00 -16.00 13 11.36 37.36 + ++++ +*++ + ++ + Angle PHI GLU 70 -152.00 -108.00 12 10.65 46.82 + + + + ++++ + +*+ Angle PSI GLU 70 127.00 159.00 15 14.41 39.58 +++ +++++ +++*++ + Angle PHI VAL 71 -140.00 -110.00 13 10.97 27.36 +++ ++++ + +*+ ++ Angle PSI VAL 71 120.00 142.00 15 11.09 34.38 +++ + +++ ++++++*+ Angle PHI HIS 72 -116.00 -70.00 10 11.33 35.70 + + + + ++++ + * Angle PSI HIS 72 113.00 157.00 11 12.88 49.56 ++ + + + + +++ *+ Angle PHI LYS 74 -150.00 -122.00 12 14.79 64.51 + ++ *+ + ++++ ++ Angle PSI LYS 74 148.00 172.00 18 35.42 87.54 + ++*++++++++++++ ++ Angle PHI VAL 75 -138.00 -108.00 17 29.24 64.26 +++++*+ ++++++ ++++ Angle PSI VAL 75 116.00 146.00 19 36.17 115.52 + ++++++++++++*+++++ Angle PHI LEU 76 -116.00 -96.00 17 24.94 54.25 +++++ ++++ ++++*+++ Angle PSI LEU 76 104.00 128.00 11 14.74 52.47 +++ ++ ++++* + Angle PHI MET 77 -128.00 -70.00 15 15.95 54.60 ++ +*+++++ ++ ++++ Angle PSI MET 77 118.00 174.00 9 6.69 24.64 + + + +++* ++ Angle PHI THR 80 -117.00 -71.00 14 16.56 42.92 ++* ++ +++ ++++ + + Angle PSI THR 80 159.00 179.00 11 10.06 27.50 ++ + * + ++ ++ ++ Angle PHI SER 81 -70.00 -50.00 13 13.07 48.42 + + ++++++ ++*+ + Angle PSI SER 81 -47.00 -27.00 12 9.25 46.80 + + + ++ ++*++++ Angle PHI ASP 82 -77.00 -57.00 12 11.25 59.04 +++ + ++ ++++ *+ Angle PSI ASP 82 -50.00 -30.00 16 17.36 55.18 + ++ +++++ +++ ++++* Angle PHI GLU 83 -79.00 -59.00 16 16.11 68.61 +++ +++ +++ *+++ +++ Angle PSI GLU 83 -49.00 -29.00 16 20.82 77.67 ++ ++++++ + *++++++ Angle PHI LEU 84 -74.00 -54.00 14 19.46 48.76 + +++++ ++ *+++++ Angle PSI LEU 84 -52.00 -32.00 14 21.35 55.77 +++* + ++++++ +++ Angle PHI GLU 85 -75.00 -55.00 17 11.30 28.66 +++* +++++++++++ ++ Angle PSI GLU 85 -51.00 -31.00 13 14.75 64.85 ++ +* + + ++ ++ ++ + Angle PHI ASN 86 -76.00 -56.00 12 12.54 61.32 ++ ++ + ++ *++ ++ Angle PSI ASN 86 -52.00 -32.00 17 32.24 84.52 +++++++ ++ + *++++++ Angle PHI LEU 87 -72.00 -52.00 17 24.11 54.71 + *+++++++ +++++ +++ Angle PSI LEU 87 -51.00 -31.00 18 38.43 82.11 ++++++++ +*++++++ ++ Angle PHI ASP 88 -72.00 -52.00 18 30.63 66.26 +++++++++ +++ *+++++ Angle PSI ASP 88 -50.00 -30.00 15 19.21 45.24 + ++++++ *++ +++ ++ Angle PHI ALA 89 -73.00 -53.00 11 13.92 58.70 ++ ++ ++* ++ ++ Angle PSI ALA 89 -52.00 -32.00 13 13.14 57.09 + + +++ +++++ +*+ Angle PHI VAL 90 -76.00 -56.00 11 14.29 69.92 + *+ + ++ ++ ++ + Angle PSI VAL 90 -56.00 -36.00 15 13.67 38.92 +++++ + + +++ ++*++ Angle PHI GLU 91 -94.00 -58.00 11 11.27 38.95 ++ *+ ++ +++++ Angle PSI GLU 91 -43.00 -1.00 10 8.23 34.52 + +++ ++++*+ Angle PHI TYR 95 -139.00 -105.00 9 6.65 23.43 +++ + * ++++ Angle PSI TYR 95 143.00 163.00 16 17.03 39.21 +* ++ ++++++ ++++ ++ Angle PHI GLU 96 -153.00 -121.00 15 18.54 83.85 ++ +++++ ++*++ +++ Angle PSI GLU 96 127.00 161.00 14 17.32 65.33 ++++++ + *+ ++ +++ Angle PHI ARG 97 -111.00 -87.00 14 18.38 51.56 +*+ + ++++ ++ +++ + Angle PSI ARG 97 117.00 137.00 14 20.69 57.47 ++ ++ ++++++*+ ++ Angle PHI VAL 98 -133.00 -111.00 15 21.76 48.76 +++++ * +++ ++++++ Angle PSI VAL 98 130.00 160.00 17 19.18 81.09 ++++++++++* + + ++++ Angle PHI THR 99 -111.00 -87.00 19 23.22 62.34 +++++++*+ ++++++++++ Angle PSI THR 99 123.00 143.00 17 27.37 67.02 ++++++*++++++ ++++ Angle PHI VAL 100 -143.00 -123.00 14 22.96 52.98 + ++++++ ++*+ + ++ Angle PSI VAL 100 147.00 167.00 12 11.16 31.37 + + +++ + ++ ++ + * Angle PHI ILE 102 -140.00 -120.00 13 14.87 55.87 ++++ ++ +++ +* ++ Angle PSI ILE 102 136.00 160.00 8 8.36 40.98 + + ++ *+ + + Angle PHI VAL 103 -125.00 -77.00 11 12.21 35.23 + ++ + ++ +++* + Angle PSI VAL 103 113.00 157.00 13 10.56 28.91 +++++ *+ ++++ + + Angle PHI GLU 105 -69.00 -49.00 11 12.11 56.23 + + ++++ + +*++ Angle PSI GLU 105 -55.00 -35.00 13 11.95 42.59 +++++ + + * + ++++ Angle PHI ASP 106 -82.00 -58.00 11 9.43 30.27 + + ++++ + ++ *+ Angle PHI SER 108 -88.00 -50.00 10 12.32 69.34 ++ + *+ ++++ + Angle PSI SER 108 -45.00 9.00 13 13.31 39.35 ++ + + + *+ ++++ ++ Angle PHI LYS 110 -111.00 -69.00 7 4.14 11.81 * + + + + + + Angle PSI LYS 110 126.00 148.00 12 10.54 39.82 + ++ + + ++++ ++ * Angle PHI MET 111 -155.00 -93.00 6 5.50 35.58 ++ *++ + Angle PSI MET 111 134.00 158.00 13 8.12 27.17 ++++++*+++++ + Angle PHI ALA 112 -118.00 -86.00 16 11.56 29.35 ++++++++ +++ ++*++ Angle PSI ALA 112 120.00 144.00 14 16.06 50.29 +*++++ ++++++ + + Angle PHI VAL 113 -146.00 -126.00 18 26.54 48.88 ++++++++ +++*++++++ Angle PSI VAL 113 147.00 173.00 9 9.25 35.70 + +++ ++ ++* Angle PHI LYS 114 -141.00 -95.00 8 10.63 38.47 +++ + * + ++ Angle PSI LYS 114 134.00 164.00 20 53.95 108.77 +++*++++++++++++++++ Angle PHI THR 115 -163.00 -113.00 19 35.75 87.84 ++++++*+++++++++++ + Angle PSI THR 115 124.00 174.00 17 42.79 106.10 ++++*+++ ++ +++++++ Angle PHI TYR 116 -124.00 -96.00 13 12.84 44.60 + +++*+ +++++++ Angle PSI TYR 116 108.00 138.00 19 43.47 122.62 *+++++++++++++++++ + Angle PHI MET 117 -145.00 -107.00 11 25.46 103.45 + ++ + ++++ *++ Angle PSI MET 117 118.00 156.00 14 26.18 68.51 + + + + ++*+ + +++++ Angle PHI TRP 118 -127.00 -59.00 8 7.69 50.76 + + ++ ++ * + Angle PSI TRP 118 117.00 157.00 10 13.79 72.33 ++++++ + + + * Angle PHI ILE 119 -72.00 -52.00 16 18.18 61.55 + ++++ + +++*+++++ + Angle PSI ILE 119 -41.00 -21.00 14 19.16 81.74 ++ +++++* + + ++++ Angle PHI ASN 120 -104.00 -78.00 17 23.10 59.76 *+ ++++++ ++++++++ + Angle PSI ASN 120 -11.00 9.00 15 16.84 43.65 ++++ ++ ++ *+++++ + Angle PHI PHE 132 -76.00 -56.00 8 5.08 17.52 + + * + ++ + + Angle PSI PHE 132 -54.00 -34.00 14 14.78 56.74 +++ + ++++ +++ +*+ Angle PHI GLU 133 -76.00 -56.00 11 8.62 36.60 ++*+ + ++ ++++ Angle PSI GLU 133 -50.00 -30.00 13 11.42 34.74 +++ +++ ++++* + + Angle PHI GLU 134 -78.00 -58.00 10 6.39 17.77 +* +++++ + ++ Angle PSI GLU 134 -54.00 -34.00 17 14.81 31.86 + +++*++++ ++ ++++++ Angle PHI TRP 135 -73.00 -53.00 12 10.93 34.57 + +++ + + + + +++* Angle PSI TRP 135 -52.00 -32.00 15 20.58 100.45 * +++++ ++ +++++ ++ Angle PHI LYS 136 -73.00 -53.00 15 19.94 75.31 +++++* +++ ++ ++ ++ Angle PSI LYS 136 -52.00 -32.00 12 22.20 74.28 + + +++ +++ +++* Angle PHI ARG 137 -74.00 -54.00 14 9.74 37.43 ++ ++++++++ + +*+ Angle PSI ARG 137 -51.00 -31.00 15 22.36 49.33 +++ +++ + +++* ++++ Angle PHI LEU 138 -91.00 -71.00 17 18.36 48.05 + ++++++++ +++++ ++* Angle PSI LEU 138 -45.00 -15.00 7 8.15 51.44 +*+ + + ++ Angle PHI HIS 139 -107.00 -71.00 12 15.27 45.53 +*+ + + ++++ + ++ Angle PSI HIS 139 -41.00 -1.00 17 30.96 77.73 + ++ +*+++++++++++ + Angle PHI LYS 140 -70.00 -50.00 15 25.54 106.94 + +++ ++*+++++ +++ Angle PSI LYS 140 -53.00 -33.00 14 15.67 47.07 + ++++ +++++*+++ Angle PHI LYS 141 -73.00 -53.00 9 9.90 51.35 + + + ++ +*++ Angle PSI LYS 141 -51.00 -31.00 19 20.16 53.54 +++++++*++++++++ +++ Angle PHI LYS 142 -75.00 -55.00 17 13.34 37.79 +++ +++++ +++++ *+++ Angle PSI LYS 142 -49.00 -29.00 14 15.20 44.49 +++*++++ +++ ++ + Angle PHI PHE 143 -76.00 -56.00 15 18.15 44.31 ++ +*+ ++++ +++ + ++ Angle PSI PHE 143 -54.00 -34.00 16 13.78 36.56 ++++++++ + + + ++++* Angle PHI ILE 144 -73.00 -53.00 18 31.88 60.01 +++++++*++ +++ +++++ Angle PSI ILE 144 -53.00 -33.00 12 11.75 48.76 *++++++ + + +++ Angle PHI GLU 145 -71.00 -51.00 13 13.82 80.27 +++++ + ++ +++ + * Angle PSI GLU 145 -51.00 -31.00 13 15.04 67.11 + ++++++++ + *++ Angle PHI THR 146 -79.00 -59.00 17 14.61 31.15 +++ ++++++ ++++++*+ Angle PSI THR 146 -48.00 -28.00 11 10.50 52.73 ++ + +++ ++* ++ Angle PHI PHE 147 -77.00 -57.00 13 15.68 63.10 + +++ ++++*+++ + Angle PSI PHE 147 -50.00 -30.00 19 19.01 49.26 ++ ++++++++++++*++++ Angle PHI LYS 148 -74.00 -54.00 8 12.75 82.37 + *++ +++ + Angle PSI LYS 148 -48.00 -28.00 16 28.12 62.96 ++ +* +++ +++++++++ Angle PHI LYS 149 -74.00 -54.00 15 27.21 74.06 ++ *+++++ ++++ +++ Angle PSI LYS 149 -48.00 -28.00 13 15.27 56.99 +++*+ +++++ + + + Angle PHI ILE 150 -74.00 -54.00 19 16.04 45.03 +*+++++++++++ ++++++ Angle PSI ILE 150 -52.00 -32.00 9 5.40 24.52 + ++* ++ ++ + Angle PHI MET 151 -76.00 -56.00 13 9.62 27.25 ++ + ++++ +* ++ ++ Angle PSI MET 151 -48.00 -28.00 8 5.05 32.19 + ++ + ++* + Angle PHI GLU 152 -76.00 -56.00 16 9.16 22.22 +++++++++ + ++*++ + Angle PSI GLU 152 -51.00 -31.00 8 7.79 38.90 ++* + + ++ + Angle PHI CYS 153 -73.00 -53.00 14 9.85 21.32 * +++ ++ ++ ++ ++++ Angle PSI CYS 153 -50.00 -30.00 9 6.36 19.61 * + ++ ++ + ++ Angle PHI LYS 154 -82.00 -60.00 15 10.23 24.86 + ++ ++++ ++++*+++ 25 violated distance constraints. 182 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 9.06 +/- 1.37 A (6.59..11.61 A) Average heavy atom RMSD to mean : 9.84 +/- 1.38 A (7.33..12.43 A)