Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 639.30 36 0.2400 4.22 510 277.8 0.81 12123.1009 81.96 2 651.56 43 0.2398 3.97 476 258.2 1.02 12825.5806121.74 3 681.05 44 0.2409 2.94 570 302.9 1.07 12424.0227 91.47 4 690.69 39 0.2449 4.01 549 288.1 1.46 12224.4284123.44 5 702.72 41 0.2515 3.70 544 289.8 0.79 11226.1866126.11 6 722.68 47 0.2589 4.56 626 328.0 0.94 11522.3303 77.28 7 723.19 48 0.2476 3.19 649 343.1 1.04 12222.7825 80.36 8 732.92 54 0.2567 3.73 645 329.8 1.30 12423.0484 72.67 9 751.65 42 0.2540 3.91 649 341.6 1.11 11924.0556 89.35 10 756.98 57 0.2625 3.69 577 300.9 0.95 12426.0031 96.67 11 760.65 46 0.2479 3.48 692 351.2 1.02 13026.5313102.04 12 770.35 49 0.2566 3.31 604 321.0 0.99 13226.4030111.22 13 771.89 51 0.2684 4.75 659 334.5 1.05 12323.0626 97.54 14 772.49 44 0.2516 3.38 638 332.4 1.07 12426.8860117.84 15 776.03 36 0.2393 3.04 663 359.0 1.29 12126.9235121.24 16 776.53 52 0.2606 3.77 633 325.1 0.96 13225.8447 78.10 17 778.56 40 0.2481 3.70 679 350.4 0.97 12827.3797115.18 18 782.43 46 0.2565 4.44 636 340.0 1.06 12125.6028 84.29 19 783.02 46 0.2612 3.90 643 338.2 1.57 11325.5377 94.41 20 784.86 48 0.2693 3.60 645 340.6 1.19 12023.5136 87.81 Ave 740.48 45 0.2528 3.76 614 322.6 1.08 12324.9612 98.54 +/- 44.45 5 0.0090 0.47 57 26.6 0.19 5 1.5639 17.14 Min 639.30 36 0.2393 2.94 476 258.2 0.79 11222.3303 72.67 Max 784.86 57 0.2693 4.75 692 359.0 1.57 13227.3797126.11 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H CYS 10 - H GLY 49 3.83 7 1.01 2.36 + * ++ + ++ peak 1135 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 HB3 SER 12 - HB ILE 150 HA GLU 83 - HB ILE 150 HA LYS 148 - HB ILE 150 Upper HB2 CYS 10 - H MET 117 3.96 7 1.01 2.22 ++ +++ + * peak 1760 HB3 ASP 30 - H MET 117 HB2 LEU 55 - H MET 117 HE2 LYS 74 - H MET 117 HB THR 39 - QG2 VAL 64 HA GLU 41 - QG2 VAL 64 QG2 VAL 64 - HA ALA 89 Upper HB3 SER 11 - H ARG 38 4.42 6 0.89 2.60 + +* + + + peak 511 HB2 SER 12 - H ARG 38 H ARG 38 - HB3 SER 44 H ARG 38 - HA GLU 134 H ARG 38 - HA LYS 140 H THR 46 - HG2 PRO 48 H THR 46 - HB3 MET 117 H THR 46 - HB3 GLN 158 Upper H LEU 15 - H ARG 104 3.56 6 1.18 2.58 + + *+ + + peak 1002 H ARG 104 - H GLU 109 H ARG 104 - H GLU 145 H ARG 104 - H THR 146 H GLU 109 - H LEU 138 H LEU 138 - H GLU 145 H LEU 138 - H THR 146 Upper HA LEU 17 - H VAL 20 3.54 14 1.63 2.86 + + + +++++++* +++ peak 1356 HA HIS 18 - H VAL 20 H VAL 20 - HA VAL 43 H VAL 20 - HA VAL 100 HB VAL 31 - H THR 146 HB VAL 98 - H THR 146 H THR 146 - HG3 GLU 171 Upper HA LEU 17 - H VAL 20 3.48 10 1.26 2.60 + + ++++++ *+ peak 525 HA HIS 18 - H VAL 20 H VAL 20 - HA VAL 43 H VAL 20 - HA VAL 100 H LYS 68 - HA GLU 85 H LYS 68 - HA LYS 141 H LYS 68 - HA GLU 145 Upper H HIS 18 - HA2 GLY 73 4.51 7 1.05 3.69 + + +* + + + peak 991 HA2 GLY 73 - H LEU 76 HA2 GLY 73 - H VAL 113 H ILE 63 - HA MET 117 Upper H HIS 18 - H SER 81 3.66 6 1.13 3.64 ++ + + * + peak 205 H SER 81 - H VAL 113 HB VAL 31 - HD3 PRO 40 HB VAL 31 - HA LEU 84 HB VAL 31 - HD3 PRO 124 Upper H ASN 19 - HB VAL 31 4.09 7 1.04 2.45 *+ + + + ++ peak 833 H ASN 19 - HG3 GLU 96 H ASN 19 - HB VAL 98 H ASN 19 - HB3 MET 117 H ASN 19 - HB3 GLU 145 HA ALA 45 - H VAL 75 HA GLU 70 - H VAL 75 Upper H ASN 19 - H ILE 63 3.95 7 1.16 2.89 +++++ + * peak 1172 H THR 46 - H ILE 63 H ILE 63 - H ASP 88 H ILE 63 - H TRP 118 HA ASP 30 - H GLN 51 HA ASN 33 - H GLN 51 Upper H ASN 19 - H THR 115 3.32 6 1.15 2.50 +* + ++ + peak 359 H ASP 88 - H THR 115 H VAL 98 - H THR 115 H PHE 50 - H SER 66 Upper HB3 ASN 19 - H ARG 38 3.63 10 1.60 3.22 *++ + ++ + ++ + peak 325 H ARG 38 - HB3 ASN 162 H ASP 123 - HA GLU 134 HA GLU 134 - H LYS 149 HA LYS 140 - H LYS 149 Upper HB3 ASN 19 - H ARG 38 3.75 8 1.07 2.74 +* + + + + + + peak 1502 H ARG 38 - HB3 ASN 162 H VAL 22 - QD2 LEU 76 H VAL 22 - QD1 ILE 144 Upper QD PHE 21 - HA ASP 88 4.06 10 1.58 3.69 + + ++ +++ *++ peak 656 QD PHE 21 - HA GLU 105 QD PHE 21 - HA PHE 143 H PHE 21 - HA GLU 105 H PHE 21 - HA PHE 143 Upper QD TYR 23 - HG LEU 47 3.49 6 1.11 3.78 *+ + + + + peak 544 QD TYR 23 - HB3 LYS 74 QD TYR 23 - QB ALA 112 QD TYR 23 - QG1 ILE 144 HB3 ARG 97 - H THR 115 H THR 115 - HD3 LYS 155 Upper HB VAL 31 - H MET 117 3.43 13 1.86 3.60 ++ ++ +++ ++ + ++* peak 652 HB VAL 113 - H MET 117 H PHE 21 - HA TYR 95 Upper HB VAL 31 - HA MET 117 3.72 11 1.97 3.98 + * ++ +++ + + + + peak 203 HB VAL 113 - HA MET 117 H LEU 84 - H ASP 123 H LEU 84 - H ARG 137 H LEU 84 - HD22 ASN 162 Upper HB VAL 31 - H TRP 118 3.55 8 1.11 2.96 ++ + + + *++ peak 938 HB VAL 113 - H TRP 118 HA LEU 17 - H GLY 73 HA HIS 18 - H GLY 73 HA VAL 43 - H GLY 73 H GLY 73 - HA VAL 100 Upper QG1 VAL 31 - H ILE 150 3.00 8 1.42 2.62 + +* ++ + + + peak 341 QG1 VAL 98 - H ILE 150 HB3 ASN 19 - H ASN 33 HB2 ASP 30 - H ASN 33 Upper QG1 VAL 31 - H ILE 150 3.45 8 1.22 3.82 ++ + ++ +* + peak 225 QG1 VAL 98 - H ILE 150 H GLN 16 - QG1 VAL 31 H GLN 16 - QG1 VAL 71 Upper HA ILE 32 - H GLN 51 3.49 12 1.66 3.03 + ++++++ + ++ *+ peak 1500 HB THR 46 - H GLN 51 HA3 GLY 49 - H GLN 51 H GLN 51 - HA ILE 150 H VAL 22 - H LYS 74 H VAL 22 - H GLU 152 Upper QG2 VAL 34 - H ASP 106 3.67 9 1.63 4.22 * +++ ++ + + + peak 800 QG2 VAL 90 - H ASP 106 H ASP 106 - QG2 ILE 144 H VAL 20 - HB VAL 31 H VAL 20 - HG3 GLU 83 H VAL 20 - HB3 TYR 116 Upper HB3 MET 35 - H ARG 104 2.78 6 1.09 3.01 ++ + +* + peak 962 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 HA ILE 32 - HA GLU 133 HA GLU 133 - HA ILE 150 HA GLU 133 - HD2 PRO 157 Upper HA ASP 37 - QE PHE 53 3.95 6 1.26 3.59 ++ ++ * + peak 640 HA ARG 38 - QE PHE 53 QE PHE 53 - HA LYS 68 QE PHE 53 - HA VAL 103 H GLY 69 - H LYS 155 Upper HG3 ARG 38 - H ARG 104 3.56 7 1.33 2.61 ++ + + + + * peak 2 H ARG 104 - HB2 GLU 105 H ARG 104 - HB3 LYS 141 H ARG 104 - HD3 LYS 141 Upper HA THR 39 - HB2 LEU 47 3.97 9 1.31 2.71 + + +++ ++ + * peak 961 HB2 LEU 47 - HA PHE 50 HB2 LEU 47 - HA ARG 97 HE1 HIS 72 - HA GLU 133 H GLY 78 - HA GLU 133 Upper HA THR 39 - HB3 LEU 47 3.70 7 1.12 2.39 + ++++ *+ peak 898 HB3 LEU 47 - HA PHE 50 HB3 LEU 47 - HA ARG 97 QD1 LEU 15 - H VAL 113 QG2 VAL 75 - H VAL 113 H VAL 113 - HG13 ILE 119 Upper HA THR 39 - H VAL 75 3.67 8 1.22 2.80 ++ + + * + + + peak 227 HA LEU 47 - H VAL 75 H VAL 75 - HA ARG 97 H VAL 75 - HA ILE 102 QD PHE 26 - HG LEU 47 QD PHE 26 - HG3 ARG 97 Upper HG2 PRO 40 - H VAL 79 4.38 8 1.32 3.39 + + ++ + + +* peak 688 HG3 PRO 40 - H VAL 79 HB3 GLU 70 - H VAL 79 H VAL 79 - HB3 ARG 97 HD2 HIS 18 - QG2 VAL 34 HD2 HIS 18 - QG2 VAL 90 HD2 HIS 18 - QG2 ILE 144 Upper H SER 44 - H VAL 98 3.82 12 1.64 3.70 ++++*++++ ++ + peak 1483 H LEU 47 - H VAL 98 H VAL 98 - H ARG 104 HB THR 39 - H VAL 79 HA GLU 41 - H VAL 79 H VAL 79 - HA ASP 88 H VAL 79 - HA ALA 89 Upper H ALA 45 - H ARG 104 4.22 8 1.25 3.31 ++ +++ + *+ peak 2141 H GLY 49 - H ARG 104 H CYS 62 - H ARG 104 H MET 77 - H ARG 104 HB THR 39 - QD1 LEU 47 QD1 LEU 47 - HA ASP 88 QD1 LEU 47 - HA ALA 89 Upper HB2 PHE 50 - QD1 LEU 87 3.70 6 1.05 2.64 + * + + + + peak 1002 HB3 PHE 50 - QD1 LEU 87 H GLU 109 - H LEU 138 H LEU 138 - H GLU 145 H LEU 138 - H THR 146 Upper HA ARG 52 - HB ILE 119 4.90 7 0.97 2.65 + + + *+ + + peak 681 HA LYS 114 - HB ILE 119 QD PHE 26 - H ARG 97 QD PHE 26 - H PHE 147 Upper H GLY 69 - HB2 LEU 87 3.99 9 1.45 3.25 + + +++* ++ + peak 480 HB2 LEU 87 - H CYS 153 HB2 LEU 87 - H LYS 156 HA VAL 34 - H CYS 153 HA GLU 83 - H CYS 153 HA ARG 137 - H CYS 153 Upper H GLY 69 - HG LEU 87 4.12 9 1.17 2.61 + ++ + +* ++ + peak 960 HG LEU 87 - H CYS 153 HG LEU 87 - H LYS 156 H GLY 128 - H GLU 134 H GLY 128 - H HIS 167 Upper H ASP 88 - HA THR 115 3.83 6 1.03 2.10 + + +*+ + peak 540 H ASP 88 - HA ASP 123 H ASP 88 - HA ASP 125 HB ILE 102 - HZ2 TRP 118 HZ2 TRP 118 - HG3 LYS 121 HZ2 TRP 118 - HD3 LYS 121 Upper HA VAL 90 - H GLU 133 2.92 9 1.48 3.03 + + ++ ++ + * + peak 628 H GLU 133 - HA ILE 150 H GLU 133 - HD2 PRO 157 H GLY 69 - HA3 GLY 92 H GLY 69 - HA LYS 155 Upper H VAL 98 - HG3 GLU 145 4.82 6 1.03 1.91 * + +++ + peak 1170 H ILE 144 - HG3 GLU 145 Upper HZ2 TRP 118 - HZ2 TRP 130 3.98 6 0.89 2.20 ++ * + ++ peak 950 HZ2 TRP 118 - HZ2 TRP 135 H GLY 78 - HG3 GLU 85 H GLY 78 - HG3 MET 111 H GLY 78 - HG3 GLU 145 VdW N ASN 19 - ND2 ASN 19 2.90 7 0.17 0.60 +++ * ++ + VdW CB ASP 28 - CD PRO 29 3.20 9 0.21 0.67 + ++ + + ++* + VdW C ASP 28 - H ASP 30 2.45 6 0.10 0.38 ++ * + + + VdW C ASP 30 - N ILE 32 2.95 9 0.15 0.48 +++ + ++* + + VdW C ASP 30 - H ILE 32 2.45 9 0.20 0.64 +++ + +++ * + VdW O ASP 30 - N ILE 32 2.75 8 0.21 0.81 +++ + + * + + VdW CG1 VAL 31 - C VAL 31 2.90 7 0.13 0.32 *++ + +++ VdW HB ILE 32 - CD PRO 124 2.60 6 0.12 0.53 + ++ +* + VdW CG2 ILE 32 - CD1 ILE 32 3.00 7 0.13 0.33 + + + + + * + VdW C ILE 32 - H VAL 34 2.45 6 0.11 0.49 + + + *++ VdW C ASN 33 - H MET 35 2.45 6 0.14 0.48 ++ + + +* VdW H VAL 34 - CG2 VAL 34 2.55 6 0.12 0.44 + *+ + + + VdW C VAL 34 - N LEU 36 2.95 6 0.12 0.34 +++* + + VdW C VAL 34 - H LEU 36 2.45 8 0.19 0.65 +++* + + + + VdW O ASP 37 - C ARG 38 2.80 7 0.16 0.48 + * +++ + + VdW HA THR 39 - CD PRO 40 2.60 12 0.17 0.29 ++++++ ++ + ++ * VdW O PRO 40 - CB GLU 41 2.90 8 0.20 0.56 + * ++++ + + VdW CB GLU 41 - H ILE 42 2.55 6 0.11 0.40 * + + +++ VdW CG1 ILE 42 - C ILE 42 2.90 6 0.10 0.33 ++ + + + * VdW HA LEU 47 - CD PRO 48 2.60 11 0.20 0.31 ++++ + ++ * ++ + VdW CD1 LEU 47 - C LEU 47 3.10 7 0.22 0.78 * +++ ++ + VdW CD1 LEU 47 - O LEU 47 2.90 8 0.19 0.79 + + *+ + + + + VdW CD2 LEU 47 - C LEU 47 3.10 6 0.16 0.85 ++ + * ++ VdW HA VAL 64 - CD PRO 65 2.60 8 0.13 0.30 ++ + + + +* + VdW CG1 VAL 64 - C VAL 64 2.90 7 0.11 0.32 + ++ * + ++ VdW CG2 VAL 64 - HD2 PRO 65 2.60 6 0.12 0.54 ++ + ++ * VdW N HIS 72 - CD2 HIS 72 3.05 10 0.19 0.45 +++ + +* +++ + VdW H HIS 72 - CD2 HIS 72 2.55 8 0.13 0.51 +* + ++ + ++ VdW CB LYS 74 - H VAL 75 2.55 6 0.10 0.36 + + ++*+ VdW C ASP 82 - H LEU 84 2.45 6 0.13 0.56 + + + + * + VdW C LEU 84 - N ASN 86 2.95 7 0.12 0.36 + + +*+ + + VdW O LEU 84 - C GLU 85 2.80 8 0.14 0.47 + ++ +* + + + VdW O LEU 84 - N ASN 86 2.75 8 0.16 0.75 + + *++ ++ + VdW CB ASN 86 - H LEU 87 2.55 7 0.14 0.40 ++* + + ++ VdW CB LEU 87 - H ASP 88 2.55 6 0.13 0.40 * + + + ++ VdW O ASP 88 - C ALA 89 2.80 7 0.16 0.47 + +* + + ++ VdW O ASP 88 - N VAL 90 2.75 6 0.16 0.75 + *+ + + + VdW O ASP 88 - N GLU 91 2.75 6 0.11 0.43 + * + ++ + VdW C ALA 89 - H GLU 91 2.45 6 0.13 0.61 *++ + + + VdW N VAL 90 - CG2 VAL 90 2.85 6 0.14 0.24 ++ * + + + VdW H VAL 90 - CG2 VAL 90 2.55 8 0.17 0.44 +++ * + + ++ VdW CG ARG 97 - C ARG 97 2.90 6 0.07 0.24 *+ + + + + VdW O VAL 103 - CB ARG 104 2.90 7 0.16 0.58 ++++* + + VdW C ASN 107 - N GLU 109 2.95 6 0.10 0.34 + * + ++ + VdW C ASN 107 - H GLU 109 2.45 8 0.20 0.58 + + * +++ + + VdW O ASN 107 - N GLU 109 2.75 6 0.12 0.80 + + ++ * + VdW O SER 108 - CB GLU 109 2.90 7 0.16 0.59 + *+ + + ++ VdW CG1 VAL 113 - N LYS 114 3.05 7 0.13 0.54 +++ ++ + * VdW O LYS 114 - CB THR 115 2.90 8 0.19 0.56 *+++ ++ + + VdW O LYS 114 - OG1 THR 115 2.60 7 0.19 0.68 +++ + + * + VdW O ASN 120 - CB LYS 121 2.90 11 0.23 0.59 + + +*++ ++ + + + VdW O ALA 122 - O ASP 123 2.60 7 0.17 0.83 ++ ++ + *+ VdW HA ASP 123 - CD PRO 124 2.60 9 0.14 0.31 + + +++*+ ++ VdW CB MET 126 - H PHE 127 2.55 6 0.10 0.36 + ++ + + * VdW H GLU 133 - CG GLU 133 2.55 7 0.11 0.39 ++ + ++ * + VdW C GLU 133 - N TRP 135 2.95 8 0.16 0.51 ++ + + * +++ VdW C GLU 133 - H TRP 135 2.45 8 0.22 0.76 ++ + *++++ VdW O GLU 133 - N TRP 135 2.75 8 0.20 0.78 ++ + + * +++ VdW O GLU 134 - C TRP 135 2.80 8 0.15 0.47 ++ +* ++ + + VdW C LYS 136 - N LEU 138 2.95 8 0.15 0.44 + ++++ * + + VdW C LYS 136 - H LEU 138 2.45 8 0.17 0.52 + +*++ + + + VdW O LYS 136 - N LEU 138 2.75 8 0.20 0.70 + ++ + * + + + VdW C LYS 141 - N PHE 143 2.95 11 0.19 0.46 + + +* +++++ ++ VdW C LYS 141 - H PHE 143 2.45 9 0.21 0.57 + + +* ++ + ++ VdW O LYS 141 - C LYS 142 2.80 6 0.13 0.31 + +*+ + + VdW O LYS 141 - N PHE 143 2.75 11 0.26 0.97 + + +++ + +++ *+ VdW CG2 ILE 144 - CD1 ILE 144 3.00 15 0.21 0.33 +++*++ + ++ +++ +++ VdW CG1 ILE 144 - C ILE 144 2.90 7 0.14 0.33 ++ +* + + + VdW CG1 ILE 144 - N GLU 145 3.05 6 0.13 0.83 + +* + + + VdW HG12 ILE 144 - C ILE 144 2.50 6 0.13 0.49 + + + * ++ VdW C GLU 145 - N PHE 147 2.95 7 0.11 0.30 + ++ +* + + VdW C GLU 145 - H PHE 147 2.45 8 0.16 0.50 * ++ ++ + + + VdW O GLU 145 - N PHE 147 2.75 6 0.11 0.44 + + ++ + * VdW C LYS 149 - N MET 151 2.95 6 0.15 0.45 + * + ++ + VdW O LYS 149 - N MET 151 2.75 6 0.18 0.82 + * + +++ VdW O LYS 149 - N GLU 152 2.75 6 0.11 0.40 +++ + + * Angle PHI HIS 18 -140.00 -116.00 13 13.28 58.16 ++ +++++++ ++ *+ Angle PSI HIS 18 138.00 158.00 14 21.56 66.53 + +++++++ + + +*++ Angle PHI ASN 19 -138.00 -88.00 10 9.48 34.60 + +++ + + *+ + + Angle PSI ASN 19 124.00 156.00 13 21.75 78.56 ++ *++++ ++++ ++ Angle PHI VAL 20 -133.00 -113.00 14 16.16 45.80 ++ *++ ++++ +++ ++ Angle PSI VAL 20 118.00 144.00 11 15.56 56.70 +++++ ++ * +++ Angle PHI PHE 21 -128.00 -94.00 16 21.58 59.42 ++++ ++*++++++ ++ + Angle PSI PHE 21 124.00 148.00 12 17.72 50.97 + * +++++++ +++ Angle PHI VAL 22 -137.00 -101.00 8 6.63 46.32 ++ +++ + + * Angle PSI VAL 22 138.00 172.00 9 6.85 27.52 ++ + ++ * +++ Angle PSI PRO 29 -39.00 -29.00 18 32.99 102.04 ++++ +++++*++++++++ Angle PHI ASP 30 -76.00 -56.00 12 15.37 69.65 ++++++ +*+ + ++ Angle PSI ASP 30 -48.00 -28.00 16 27.41 66.41 ++++++ ++ +++++++* Angle PHI VAL 31 -76.00 -56.00 16 33.27 111.22 + ++ + ++++*++++++ + Angle PSI VAL 31 -53.00 -31.00 13 14.69 60.17 ++ ++ +++ +++* ++ Angle PHI ILE 32 -73.00 -53.00 17 25.77 73.03 ++ +*+++++++++++ ++ Angle PSI ILE 32 -55.00 -35.00 10 15.73 71.90 + ++ +++ + +*+ Angle PHI ASN 33 -74.00 -54.00 13 12.04 35.37 +++ +++ +++ +++ * Angle PSI ASN 33 -52.00 -32.00 17 14.15 25.66 + ++ ++++*+++++ ++++ Angle PHI VAL 34 -81.00 -61.00 16 13.07 45.53 ++++ +++*+ ++ +++++ Angle PSI VAL 34 -51.00 -31.00 15 12.36 32.16 + ++ ++++*++ + ++ ++ Angle PHI MET 35 -78.00 -58.00 9 6.43 28.04 *++ + + + + + + Angle PSI MET 35 -35.00 -15.00 11 11.67 55.19 ++ + +*+ + +++ + Angle PHI LEU 36 -115.00 -83.00 11 10.45 41.36 + + ++ +*+ + +++ Angle PSI LEU 36 -34.00 10.00 7 6.88 26.96 + *++ ++ + Angle PHI THR 39 -125.00 -97.00 6 5.01 24.50 ++ *+ ++ Angle PSI THR 39 120.00 150.00 11 8.79 26.11 *++++ + ++ +++ Angle PSI PRO 40 116.00 150.00 10 7.60 23.74 ++* ++ + + ++ + Angle PHI ILE 42 -126.00 -96.00 13 10.08 37.73 + +++ ++ +++ *+++ Angle PSI ILE 42 124.00 144.00 15 14.59 37.80 + ++ +++++ +++* +++ Angle PHI VAL 43 -132.00 -112.00 13 13.45 40.96 + ++ + + + ++ + *+++ Angle PSI VAL 43 115.00 145.00 13 14.39 63.34 +++ ++++ + ++ +*+ Angle PHI SER 44 -113.00 -77.00 17 16.39 46.37 +++ +++++++ +++++* + Angle PSI SER 44 124.00 144.00 16 17.73 52.97 +++++ +++++ *++++ + Angle PHI ALA 45 -145.00 -125.00 17 23.79 55.42 ++ ++ ++++++++++*+ + Angle PSI ALA 45 131.00 157.00 12 15.85 42.63 ++ ++++++* + + + Angle PHI THR 46 -134.00 -92.00 12 16.33 55.66 +++ +++ ++++ + * Angle PSI THR 46 118.00 138.00 12 14.83 48.84 ++ + *++ ++++ ++ Angle PHI LEU 47 -131.00 -99.00 14 26.21 85.55 ++ +* ++++++ ++ ++ Angle PSI LEU 47 93.00 143.00 7 6.41 34.96 + + + *+ + + Angle PSI PRO 48 133.00 147.00 17 30.31 94.41 ++++++ + ++++ ++++*+ Angle PHI PHE 50 -149.00 -103.00 13 26.30 65.23 +* + ++++ ++++ ++ Angle PSI PHE 50 145.00 175.00 17 27.01 117.84 +++ +++++ ++*++++++ Angle PHI GLN 51 -164.00 -140.00 13 10.52 33.44 +++ ++*+ + + + +++ Angle PSI GLN 51 141.00 167.00 15 11.24 31.04 ++++ + ++*+++ + +++ Angle PHI ARG 52 -136.00 -94.00 9 9.44 36.66 ++ ++*+ + + + Angle PSI ARG 52 113.00 141.00 10 7.02 24.11 + + + + +*+ + ++ Angle PSI CYS 62 149.00 169.00 12 8.27 22.97 ++ + + + ++++ +* + Angle PHI ILE 63 -151.00 -129.00 17 25.26 111.47 ++++*+++++++ + ++++ Angle PSI ILE 63 146.00 170.00 12 10.31 38.14 *+ +++ ++++++ + Angle PHI VAL 64 -151.00 -127.00 13 14.86 46.79 ++ +* + ++ ++++ ++ Angle PSI VAL 64 146.00 170.00 11 14.18 92.84 +++ + + ++++ +* Angle PHI SER 66 -124.00 -76.00 8 6.08 24.62 ++ +*+ ++ + Angle PSI SER 66 99.00 147.00 14 23.77 121.74 *+++ ++ ++ +++ +++ Angle PHI GLU 67 -72.00 -52.00 8 8.40 52.66 * ++ + + ++ + Angle PSI GLU 67 -36.00 -16.00 8 6.78 29.51 ++ ++ * +++ Angle PSI GLU 70 127.00 159.00 12 14.01 37.07 + * ++++ ++ ++ ++ Angle PHI VAL 71 -140.00 -110.00 12 14.52 63.11 ++ +++*+ + ++ ++ Angle PSI VAL 71 120.00 142.00 19 21.71 50.83 +++++++++++++++ ++*+ Angle PHI HIS 72 -116.00 -70.00 14 16.52 50.04 ++++ ++++++ ++ +* Angle PSI HIS 72 113.00 157.00 11 11.28 32.28 ++++ + + + ++*+ Angle PHI LYS 74 -150.00 -122.00 11 10.49 45.21 ++ *++ +++ ++ + Angle PSI LYS 74 148.00 172.00 17 29.25 67.46 +++++ +*++++++++++ Angle PHI VAL 75 -138.00 -108.00 13 27.97 92.39 ++ + + + + ++++ ++* Angle PSI VAL 75 116.00 146.00 14 29.48 121.24 + + +++++ ++*+++ + Angle PHI LEU 76 -116.00 -96.00 16 30.59 75.72 +++++++++*+ +++ ++ Angle PSI LEU 76 104.00 128.00 15 16.31 59.60 +++ +*+++++++++ + Angle PHI MET 77 -128.00 -70.00 12 14.64 57.75 *++++ ++ + + ++ + Angle PSI MET 77 118.00 174.00 10 9.91 62.51 + + +++ + +*++ Angle PHI THR 80 -117.00 -71.00 12 11.13 26.66 +++++ + + + +*+ + Angle PSI THR 80 159.00 179.00 14 15.93 62.45 +++ +++++ ++++ +* Angle PHI SER 81 -70.00 -50.00 14 13.70 33.75 ++++++ + ++* ++ + + Angle PSI SER 81 -47.00 -27.00 12 12.47 37.51 ++ * + +++++ ++ + Angle PHI ASP 82 -77.00 -57.00 13 14.60 49.24 +++* ++ + +++ +++ Angle PSI ASP 82 -50.00 -30.00 14 17.14 44.30 + *++++++ + ++ +++ Angle PHI GLU 83 -79.00 -59.00 16 25.09 123.44 +++*+++ ++++ +++++ Angle PSI GLU 83 -49.00 -29.00 12 14.47 55.50 ++ + + *++ +++ + + Angle PHI LEU 84 -74.00 -54.00 15 17.65 75.22 +*++ ++++ ++ +++ + + Angle PSI LEU 84 -52.00 -32.00 14 21.28 62.01 +++ + +++++ ++++ * Angle PHI GLU 85 -75.00 -55.00 16 16.41 47.21 ++ ++++*++++ + ++++ Angle PSI GLU 85 -51.00 -31.00 12 22.91 101.32 ++++ +++ +*+++ Angle PHI ASN 86 -76.00 -56.00 12 15.25 59.67 + ++++ ++++*++ Angle PSI ASN 86 -52.00 -32.00 16 30.22 77.28 +++++*++ +++++ +++ Angle PHI LEU 87 -72.00 -52.00 19 34.94 93.48 +++++++++*++++++ +++ Angle PSI LEU 87 -51.00 -31.00 18 30.60 75.16 * +++++++++++++++ ++ Angle PHI ASP 88 -72.00 -52.00 16 28.46 67.22 ++*+++++++ ++ ++++ Angle PSI ASP 88 -50.00 -30.00 17 19.12 93.23 ++++++++ ++++*+++ + Angle PHI ALA 89 -73.00 -53.00 15 23.51 82.49 ++++* + + +++ + ++++ Angle PSI ALA 89 -52.00 -32.00 12 14.80 55.01 + + + ++ + +*++++ Angle PHI VAL 90 -76.00 -56.00 13 23.54 75.09 + ++ ++++++ ++* + Angle PSI VAL 90 -56.00 -36.00 18 27.59 62.21 +++++++ ++++*++++++ Angle PHI GLU 91 -94.00 -58.00 10 7.84 30.48 + +* +++++ + + Angle PSI GLU 91 -43.00 -1.00 14 16.19 65.28 + ++ ++ *++ ++++++ Angle PHI TYR 95 -139.00 -105.00 17 12.91 32.78 ++* +++++++++++ +++ Angle PSI TYR 95 143.00 163.00 18 29.28 54.40 +++++++*+++++++++ + Angle PHI GLU 96 -153.00 -121.00 13 20.93 69.02 * + + ++++++ ++++ Angle PSI GLU 96 127.00 161.00 17 21.93 64.38 + ++ ++++*++++++++ + Angle PHI ARG 97 -111.00 -87.00 10 11.69 36.47 ++ + + * +++++ Angle PSI ARG 97 117.00 137.00 15 23.59 87.47 + ++++++++ + +++ *+ Angle PHI VAL 98 -133.00 -111.00 13 13.55 46.43 ++ + +++ +++ + *+ + Angle PSI VAL 98 130.00 160.00 15 26.20 64.31 +++++ + *++++++++ Angle PHI THR 99 -111.00 -87.00 15 30.72 66.91 + ++ ++++++ ++*+++ Angle PSI THR 99 123.00 143.00 11 16.83 51.71 + + * + ++++ +++ Angle PHI VAL 100 -143.00 -123.00 13 20.42 64.80 +++ ++++ +++*++ Angle PSI VAL 100 147.00 167.00 13 10.96 29.98 ++++++++ + ++ * + Angle PHI ILE 102 -140.00 -120.00 13 12.12 34.27 +* +++ ++++ ++ ++ Angle PSI ILE 102 136.00 160.00 12 15.15 54.85 + ++ + +++++ * + + Angle PHI VAL 103 -125.00 -77.00 11 12.73 47.65 + + ++ + +++*++ Angle PSI VAL 103 113.00 157.00 6 3.90 25.63 + +* + + + Angle PHI GLU 105 -69.00 -49.00 11 10.58 44.61 + ++ +++ ++*+ + Angle PSI GLU 105 -55.00 -35.00 16 13.83 36.29 + +++++++++* ++ +++ Angle PHI ASP 106 -82.00 -58.00 13 14.18 45.70 + ++ ++ ++++ +* ++ Angle PHI SER 108 -88.00 -50.00 6 4.30 26.19 + * + + ++ Angle PSI SER 108 -45.00 9.00 8 10.70 55.70 ++ ++* +++ Angle PHI LYS 110 -111.00 -69.00 6 4.03 22.24 ++ *++ + Angle PSI LYS 110 126.00 148.00 11 10.14 35.58 ++++ * + ++ + ++ Angle PHI MET 111 -155.00 -93.00 11 7.90 29.64 +* +++ ++ + ++ + Angle PSI MET 111 134.00 158.00 12 10.79 33.76 +++++*+ + ++++ Angle PHI ALA 112 -118.00 -86.00 14 20.96 52.32 ++ + + +++*+ ++ +++ Angle PSI ALA 112 120.00 144.00 19 29.83 96.67 ++++++ ++*++++++++++ Angle PHI VAL 113 -146.00 -126.00 19 27.72 64.78 ++++++++++++++*++++ Angle PSI VAL 113 147.00 173.00 7 5.03 22.90 + * + ++++ Angle PHI LYS 114 -141.00 -95.00 11 13.56 42.82 + + +*+ +++ ++ + Angle PSI LYS 114 134.00 164.00 20 44.86 126.11 ++++*+++++++++++++++ Angle PHI THR 115 -163.00 -113.00 18 41.88 102.73 +*+++++++++ +++ ++++ Angle PSI THR 115 124.00 174.00 16 30.71 118.77 ++++*+++++ + +++ ++ Angle PHI TYR 116 -124.00 -96.00 15 24.54 87.25 +++++ +++ ++++++* Angle PSI TYR 116 108.00 138.00 11 19.16 65.14 * + ++++++ +++ Angle PHI MET 117 -145.00 -107.00 13 18.97 59.08 + +++++ *+++ + + + Angle PSI MET 117 118.00 156.00 13 18.89 63.50 ++ ++ +*+ +++++ + Angle PHI TRP 118 -127.00 -59.00 11 10.41 44.23 * +++ + ++ + ++ + Angle PSI TRP 118 117.00 157.00 16 21.68 82.81 +++++++ *+ + + +++++ Angle PHI ILE 119 -72.00 -52.00 15 24.05 80.55 + +++++++++++++ * Angle PSI ILE 119 -41.00 -21.00 16 20.28 57.54 +++ ++++++++++ ++* Angle PHI ASN 120 -104.00 -78.00 16 15.06 51.11 +++ ++ +*+ ++++++++ Angle PSI ASN 120 -11.00 9.00 14 21.82 67.39 + ++++ ++++ +*+++ Angle PHI PHE 132 -76.00 -56.00 12 11.08 32.65 +++++ ++ +++* + Angle PSI PHE 132 -54.00 -34.00 17 24.68 89.35 ++++++++*+++ + ++ ++ Angle PHI GLU 133 -76.00 -56.00 15 16.04 41.41 +++ ++++ +++ +++ +* Angle PSI GLU 133 -50.00 -30.00 11 19.92 87.41 + ++ + * ++++ + + Angle PHI GLU 134 -78.00 -58.00 16 13.92 38.70 + +++* ++++++ ++ +++ Angle PSI GLU 134 -54.00 -34.00 15 19.09 46.07 + ++++ ++ +*++++++ Angle PHI TRP 135 -73.00 -53.00 18 24.81 58.38 ++++++++*+ ++++++ ++ Angle PSI TRP 135 -52.00 -32.00 13 24.47 115.18 ++ +++ +++++*+ + Angle PHI LYS 136 -73.00 -53.00 13 18.67 54.51 ++ +++ ++*+++++ Angle PSI LYS 136 -52.00 -32.00 15 31.99 90.66 +++++++++ ++* + + + Angle PHI ARG 137 -74.00 -54.00 17 18.33 45.56 +*+++ +++++++++ ++ + Angle PSI ARG 137 -51.00 -31.00 16 23.43 65.34 +*+++++++ + ++++ ++ Angle PHI LEU 138 -91.00 -71.00 20 23.35 61.79 +++++++++++++*++++++ Angle PSI LEU 138 -45.00 -15.00 12 18.19 89.29 + ++++ +* ++++ + Angle PHI HIS 139 -107.00 -71.00 15 29.02 89.37 + *+++ ++ ++++++ ++ Angle PSI HIS 139 -41.00 -1.00 10 13.57 62.47 ++ + + *+ + ++ + Angle PHI LYS 140 -70.00 -50.00 12 18.35 80.36 + +* ++++ +++ ++ Angle PSI LYS 140 -53.00 -33.00 14 16.31 67.84 ++++*++ +++ +++ + Angle PHI LYS 141 -73.00 -53.00 12 18.14 87.81 +++ +++ ++ + ++ * Angle PSI LYS 141 -51.00 -31.00 16 23.34 55.79 +++ + +++++++++ ++* Angle PHI LYS 142 -75.00 -55.00 17 15.92 50.63 *+ ++++++++++ +++++ Angle PSI LYS 142 -49.00 -29.00 15 23.99 84.29 +++++ +++ + + + +*++ Angle PHI PHE 143 -76.00 -56.00 11 18.32 61.64 *++ + + ++ +++ + Angle PSI PHE 143 -54.00 -34.00 12 18.81 58.45 +++++ +++ * ++ + Angle PHI ILE 144 -73.00 -53.00 19 35.51 62.48 +*++++ +++++++++++++ Angle PSI ILE 144 -53.00 -33.00 11 9.06 31.30 +* ++ + ++++++ Angle PHI GLU 145 -71.00 -51.00 11 11.48 64.47 +++ + ++ + + ++* Angle PSI GLU 145 -51.00 -31.00 12 10.64 58.97 ++ + + *++++ ++ + Angle PHI THR 146 -79.00 -59.00 12 11.18 62.56 + +++ + + ++ ++ +* Angle PSI THR 146 -48.00 -28.00 14 16.26 46.55 ++++++ ++ +*+ + + + Angle PHI PHE 147 -77.00 -57.00 19 27.48 85.89 +++ +++++++*++++++++ Angle PSI PHE 147 -50.00 -30.00 13 9.58 24.32 + *+++ +++ +++ ++ Angle PHI LYS 148 -74.00 -54.00 15 13.58 46.06 ++++ ++ + *+ ++++++ Angle PSI LYS 148 -48.00 -28.00 16 23.44 45.15 + + +*+++ +++++++++ Angle PHI LYS 149 -74.00 -54.00 17 29.18 76.21 + +++++ ++++*++++ ++ Angle PSI LYS 149 -48.00 -28.00 16 18.19 52.40 ++++++ ++ *+ ++++++ Angle PHI ILE 150 -74.00 -54.00 19 15.47 35.37 +++++++++++*++++ +++ Angle PSI ILE 150 -52.00 -32.00 8 6.35 25.47 ++ + +++ *+ Angle PHI MET 151 -76.00 -56.00 14 11.59 31.36 + + ++* +++++ ++++ Angle PSI MET 151 -48.00 -28.00 10 8.15 51.16 ++ +++ ++ ++ * Angle PHI GLU 152 -76.00 -56.00 9 7.23 63.63 + ++++ + ++ * Angle PSI GLU 152 -51.00 -31.00 15 16.42 83.59 ++++ + + +++ ++++* + Angle PHI CYS 153 -73.00 -53.00 14 7.81 24.43 + ++ *+ ++ ++++++ + Angle PSI CYS 153 -50.00 -30.00 10 7.10 30.51 + ++ ++++ + *+ Angle PHI LYS 154 -82.00 -60.00 16 8.93 18.44 ++ +++++++ ++++ *+ + 39 violated distance constraints. 181 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.75 +/- 1.33 A (6.83..12.62 A) Average heavy atom RMSD to mean : 9.45 +/- 1.25 A (7.62..12.85 A)