Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 146.36 2 0.0652 1.89 137 100.3 0.65 70 8.3556 36.96 2 166.42 7 0.0725 2.09 123 92.5 0.66 63 9.0316 48.92 3 166.98 4 0.0714 2.19 151 102.9 0.63 73 8.5633 39.60 4 172.62 9 0.0744 3.31 127 91.3 0.65 75 8.8270 40.21 5 179.26 7 0.0745 2.31 131 100.5 0.71 67 9.0081 43.03 6 186.49 7 0.0777 2.38 147 102.4 0.74 60 8.1133 39.68 7 188.66 7 0.0726 2.36 155 108.9 0.89 7710.3559 54.66 8 190.36 6 0.0746 2.25 145 107.1 0.73 7010.2181 57.53 9 193.71 8 0.0788 2.59 161 108.4 0.58 74 8.5274 38.94 10 194.27 5 0.0755 2.46 166 111.7 0.77 7510.4846 49.80 11 194.41 6 0.0791 3.59 145 98.3 0.51 76 9.9317 46.03 12 196.36 7 0.0785 2.30 181 118.1 0.62 77 8.1541 30.34 13 200.14 7 0.0777 2.64 154 112.9 0.84 8010.2138 39.57 14 204.48 5 0.0775 3.10 177 113.2 0.78 8110.5374 46.60 15 207.95 6 0.0801 3.37 180 118.9 0.94 70 9.0332 42.26 16 208.74 8 0.0794 2.92 160 109.0 0.62 7910.9947 42.31 17 210.74 5 0.0795 2.59 165 109.1 0.65 6610.4987 69.12 18 210.89 8 0.0779 2.37 189 120.9 0.66 7410.5152 53.01 19 212.46 7 0.0787 2.46 196 118.9 0.62 8710.9482 49.13 20 215.72 6 0.0809 2.79 183 115.2 0.66 7810.5261 48.90 Ave 192.35 6 0.0763 2.60 159 108.0 0.69 74 9.6419 45.83 +/- 17.92 2 0.0037 0.44 21 8.4 0.10 6 0.9747 8.37 Min 146.36 2 0.0652 1.89 123 91.3 0.51 60 8.1133 30.34 Max 215.72 9 0.0809 3.59 196 120.9 0.94 8710.9947 69.12 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA HIS 7 - H GLY 73 4.14 19 2.26 3.59 ++++++++++* ++++++++ peak 2147 HA VAL 43 - H GLY 73 H GLY 73 - HA LEU 76 H GLY 73 - HA MET 111 H GLY 73 - HA GLU 129 H ASP 106 - H GLU 145 H ASP 106 - H THR 146 Upper QG2 VAL 20 - HA LYS 140 3.68 19 1.92 2.59 +++++ ++*+++++++++++ peak 2341 QG2 ILE 42 - HA LYS 140 HG13 ILE 42 - HA LYS 140 QG2 VAL 43 - HA LYS 140 QG1 VAL 43 - HA LEU 84 HA LEU 84 - QG2 VAL 90 HA LEU 84 - QG2 ILE 144 Upper QD PHE 21 - QG2 VAL 90 3.78 6 1.14 2.37 + + + * + + peak 4418 H GLN 27 - QG2 VAL 90 QG2 VAL 90 - HH2 TRP 118 QG2 VAL 90 - QD PHE 147 QG2 VAL 90 - HZ PHE 147 HG LEU 36 - HA GLU 70 HA GLU 70 - HB ILE 102 HA GLU 70 - HB2 LYS 110 HA GLU 70 - HB2 MET 111 Upper HA VAL 31 - HB ILE 32 3.72 6 0.89 2.02 + + *+ ++ peak 2148 HA VAL 31 - HG13 ILE 144 HA VAL 31 - HG3 PRO 157 Upper HA MET 35 - HZ PHE 147 3.50 8 1.02 2.38 *++++ ++ + peak 257 HA ASP 106 - HZ PHE 147 HA PHE 147 - HZ PHE 147 Upper HA SER 44 - QG2 VAL 79 3.60 11 1.25 2.02 ++++++ + ++ *+ peak 3341 QG2 THR 46 - HA LEU 47 Upper HB THR 46 - HB3 GLN 51 3.50 8 1.09 2.96 + + +++ *++ peak 4150 HB3 GLN 51 - HA LEU 87 HB3 GLN 51 - HA VAL 90 HB3 GLN 51 - HA GLU 94 HB3 GLN 51 - HA ILE 150 HB3 GLN 51 - HD2 PRO 157 H GLN 16 - HB2 GLU 109 HB2 GLU 109 - H GLU 145 HB2 GLU 109 - H THR 146 Upper H VAL 90 - HZ2 TRP 118 4.09 16 1.65 2.09 * +++++++ +++ +++++ peak 541 HZ2 TRP 118 - H ILE 119 HZ2 TRP 118 - H TRP 135 Upper QD TYR 95 - QG2 ILE 165 3.78 8 1.01 2.79 ++ + + + ++* peak 332 HE3 TRP 118 - QG2 ILE 165 HH2 TRP 118 - QG2 ILE 165 HH2 TRP 135 - QG2 ILE 165 QD PHE 147 - QG2 ILE 165 HA THR 46 - H THR 99 H THR 99 - HA2 GLY 101 H THR 99 - HA VAL 113 VdW HA ASN 19 - O LEU 76 2.30 7 0.13 0.60 + + ++ ++ * VdW N PHE 21 - O LYS 114 2.75 6 0.10 0.44 + + * ++ + VdW HA ASP 28 - CD PRO 29 2.60 15 0.22 0.31 ++++++ + + +++++ *+ VdW CG1 VAL 31 - C VAL 31 2.90 8 0.12 0.33 + + + ++ * ++ VdW HA THR 39 - CD PRO 40 2.60 12 0.18 0.30 + * +++ + +++ + ++ VdW N ILE 42 - CG1 ILE 42 2.85 8 0.14 0.24 +++ + ++ + * VdW N ILE 42 - CD1 ILE 42 3.05 6 0.12 0.33 + ++++* VdW H ILE 42 - CG1 ILE 42 2.55 6 0.10 0.32 + + + * + + VdW HA ILE 42 - O VAL 75 2.30 6 0.12 0.45 + * ++++ VdW CG2 ILE 42 - O VAL 75 2.90 6 0.09 0.50 + + *+ + + VdW O VAL 43 - HA LYS 74 2.30 6 0.12 0.48 * + ++++ VdW HA SER 44 - O GLY 73 2.30 7 0.14 0.61 + + ++*+ + VdW O SER 44 - HB2 GLU 105 2.30 12 0.22 0.50 +++++ ++ ++ * ++ VdW O ALA 45 - HA HIS 72 2.30 6 0.11 0.49 + * ++ ++ VdW HA THR 46 - O VAL 71 2.30 11 0.29 0.94 +++++++ + *+ + VdW O THR 46 - HB ILE 102 2.30 8 0.15 0.51 + ++* ++ + + VdW H LEU 47 - H VAL 71 1.90 11 0.24 0.62 +++ + ++ + + *++ VdW HA LEU 47 - CD PRO 48 2.60 20 0.26 0.30 ++*+++++++++++++++++ VdW HA LEU 47 - HB ILE 102 2.00 7 0.14 0.53 ++ ++* + + VdW HB2 LEU 47 - CG2 ILE 102 2.60 6 0.16 0.50 + + + * + + VdW O LEU 47 - HA GLU 70 2.30 6 0.17 0.66 ++ + + + * VdW O GLY 49 - HA PRO 65 2.30 9 0.19 0.44 + + + ++ + * + + VdW N PHE 50 - CD2 PHE 50 3.05 7 0.12 0.44 +++* + + + VdW HA GLN 51 - HA VAL 71 2.00 7 0.14 0.48 + +*++ + + VdW O LEU 59 - C TYR 60 2.80 7 0.13 0.34 + + +* + ++ VdW O LEU 59 - O TYR 60 2.60 9 0.21 0.77 + + ++* ++++ VdW CB TYR 60 - HD2 PRO 61 2.60 7 0.13 0.37 + * ++ + ++ VdW CG2 ILE 63 - C ILE 63 2.90 8 0.14 0.33 + * + +++ ++ VdW CG2 VAL 64 - C VAL 64 2.90 6 0.08 0.31 ++ *+ + + VdW CG1 VAL 71 - C VAL 71 2.90 7 0.14 0.33 + + + + *+ + VdW O GLU 83 - HB2 ASN 86 2.30 8 0.16 0.50 + + ++ + *+ + VdW CD1 LEU 84 - C LEU 84 3.10 6 0.08 0.41 + + ++* + VdW O GLU 85 - N VAL 90 2.75 7 0.14 0.55 + + * + + ++ VdW CA ASN 86 - HB VAL 90 2.60 9 0.18 0.64 ++ *+ ++ + ++ VdW HA ASN 86 - CB VAL 90 2.60 8 0.18 0.59 ++ ++ *+ + + VdW HA ASN 86 - HB VAL 90 2.00 9 0.25 0.89 ++ *+ ++ + ++ VdW HA ASN 86 - CG2 VAL 90 2.60 6 0.14 0.51 + + +* + + VdW N LEU 87 - HG LEU 87 2.45 6 0.11 0.31 + +++ * + VdW C GLU 91 - H ASN 93 2.45 6 0.10 0.43 ++ + * + + VdW CG2 THR 99 - O THR 99 2.90 12 0.20 0.31 ++++ ++ + *++ ++ VdW N ILE 102 - CG2 ILE 102 2.85 11 0.15 0.23 ++ +++++ + + +* VdW N ILE 102 - O MET 111 2.75 6 0.15 0.40 + *+ + ++ VdW CG1 ILE 102 - C ILE 102 2.90 13 0.22 0.31 ++ ++++++ +++ +* VdW HG12 ILE 102 - N VAL 103 2.45 8 0.13 0.34 + *+++ + + + VdW CD1 ILE 102 - C ILE 102 3.10 9 0.16 0.32 * + +++ ++ ++ VdW O ILE 102 - N MET 111 2.75 9 0.15 0.33 + * ++++ ++ + VdW CG1 VAL 103 - C VAL 103 2.90 7 0.10 0.30 +++ + +* + VdW O ARG 104 - O ASN 107 2.60 11 0.21 0.39 ++ +++ + ++ +* + VdW N ASN 107 - OD1 ASN 107 2.75 10 0.19 0.43 + +* + + +++++ VdW C ASN 107 - N GLU 109 2.95 6 0.12 0.27 + + +* ++ VdW C ASN 107 - H GLU 109 2.45 10 0.18 0.42 + * ++ ++++++ VdW CA TRP 118 - HE3 TRP 118 2.60 6 0.11 0.28 + * + +++ VdW HA TRP 118 - CE3 TRP 118 2.60 15 0.28 0.45 + ++++++++ ++ ++*+ VdW HA TRP 118 - HE3 TRP 118 2.00 16 0.41 0.61 + +++++++++*+ ++++ VdW CE3 TRP 118 - H ILE 119 2.55 7 0.11 0.31 + + + + * ++ VdW O ASN 120 - C LYS 121 2.80 13 0.28 0.48 + ++++* + ++++ ++ VdW HA ASP 123 - CD PRO 124 2.60 6 0.11 0.29 + * + +++ VdW C ASP 123 - H ASP 125 2.45 6 0.14 0.37 + + * ++ + VdW CG TRP 135 - C TRP 135 2.90 7 0.09 0.24 +++* + ++ VdW C ARG 137 - H HIS 139 2.45 9 0.15 0.56 + ++ ++ + +*+ VdW C LEU 138 - N LYS 140 2.95 8 0.14 0.36 * ++ ++ + ++ VdW C LEU 138 - H LYS 140 2.45 10 0.22 0.65 * ++ +++ + + ++ VdW O LEU 138 - N LYS 140 2.75 8 0.14 0.46 * ++ ++ + ++ VdW C HIS 139 - N LYS 141 2.95 7 0.14 0.33 * ++ + + + + VdW C HIS 139 - H LYS 141 2.45 9 0.20 0.56 * ++ ++ + + ++ VdW C LYS 140 - N LYS 142 2.95 7 0.13 0.27 + ++ ++ + * VdW O LYS 140 - C LYS 141 2.80 7 0.16 0.35 * ++ + + ++ VdW O LYS 140 - N LYS 142 2.75 8 0.17 0.48 * ++ ++ + ++ VdW O LYS 140 - N ILE 144 2.75 7 0.13 0.48 +++ + + *+ VdW CG2 ILE 144 - C ILE 144 2.90 17 0.27 0.33 +++ ++ ++*+++++++++ VdW O ILE 144 - C GLU 145 2.80 9 0.18 0.31 + + +++ * + + + VdW O ILE 144 - N THR 146 2.75 6 0.15 0.45 + ++ ++ * VdW O ILE 144 - N PHE 147 2.75 7 0.13 0.34 + + + +* ++ VdW CG2 ILE 150 - C ILE 150 2.90 16 0.26 0.33 + ++ ++++ ++ ++*++++ VdW CG1 VAL 168 - C VAL 168 2.90 6 0.10 0.31 +* + + ++ Angle PSI LEU 17 123.00 153.00 17 15.09 36.22 ++*++ +++ +++++++++ Angle PSI ASN 19 126.00 156.00 10 5.10 17.17 + + ++++ * + + + Angle PHI VAL 20 -132.00 -112.00 15 9.16 17.60 ++ ++++++++ +++*+ Angle PSI VAL 20 124.00 144.00 11 6.60 19.97 + +++*+ + ++ ++ Angle PHI PHE 21 -129.00 -95.00 13 8.58 20.43 ++ +++ + +*++ +++ Angle PSI PHE 21 124.00 148.00 9 5.21 16.13 ++++ + ++ * + Angle PHI SER 25 -81.00 -59.00 9 5.88 18.38 +* + + ++++ + Angle PHI VAL 31 -77.00 -57.00 14 6.33 11.97 + + ++ +* +++ +++++ Angle PSI VAL 31 -54.00 -30.00 11 6.77 16.93 + + + +++++ *++ Angle PSI ILE 32 -55.00 -35.00 6 3.03 9.97 + * + +++ Angle PHI ASN 33 -74.00 -54.00 9 4.98 15.66 + + + +* ++ ++ Angle PHI VAL 34 -81.00 -61.00 6 3.03 18.08 + + +*+ + Angle PSI MET 35 -35.00 -15.00 6 2.25 6.88 + + ++*+ Angle PSI PRO 40 116.00 150.00 15 8.99 28.79 + +++++++*+ ++++ + Angle PSI ILE 42 123.00 143.00 11 6.56 23.33 + ++++ + ++ ++* Angle PHI VAL 43 -130.00 -110.00 10 5.51 16.32 *+ ++ + + ++++ Angle PSI VAL 43 120.00 146.00 8 4.57 15.62 ++ + + + + +* Angle PHI SER 44 -115.00 -77.00 11 5.84 17.42 + ++ + ++++ +*+ Angle PSI SER 44 123.00 143.00 13 7.30 24.37 + + ++++++++ * ++ Angle PHI ALA 45 -143.00 -123.00 10 6.76 26.87 ++++++ + + * + Angle PSI ALA 45 133.00 159.00 9 6.52 26.02 ++ +++ ++ * + Angle PHI THR 46 -134.00 -92.00 6 4.13 16.96 ++ + + + * Angle PHI LEU 47 -131.00 -99.00 9 5.06 20.58 ++ ++ + +* ++ Angle PSI PRO 48 133.00 151.00 11 8.10 23.80 + +++ +*+++ + + Angle PHI ARG 52 -141.00 -91.00 13 8.58 25.86 + ++ +++ + ++++ *+ Angle PHI PHE 53 -144.00 -110.00 12 9.28 29.30 + + +++ + ++*+++ Angle PSI PHE 53 136.00 168.00 9 6.40 24.56 ++ + + + ++* + Angle PHI ARG 54 -158.00 -90.00 12 6.77 17.88 +++ +++ ++ * ++ + Angle PSI ARG 54 127.00 165.00 9 5.32 27.63 + * + ++++++ Angle PHI LEU 59 -150.00 -114.00 6 3.74 15.46 + ++ + + * Angle PSI LEU 59 127.00 163.00 11 7.71 22.24 ++ ++++ *+ ++ + Angle PHI CYS 62 -151.00 -119.00 14 8.41 23.91 ++ ++++++ +*++ ++ Angle PSI CYS 62 148.00 170.00 10 7.28 30.81 + +++ +* ++++ Angle PHI ILE 63 -151.00 -129.00 9 7.36 46.60 ++ + + +* ++ + Angle PSI ILE 63 146.00 170.00 7 4.74 21.20 +++ +* + + Angle PHI VAL 64 -148.00 -124.00 6 4.06 31.53 +*++++ Angle PSI SER 66 99.00 147.00 12 7.27 23.87 +++ + + + *+++++ Angle PHI GLU 70 -160.00 -110.00 14 9.84 24.19 +++++ + +*+ ++ +++ Angle PSI GLU 70 128.00 164.00 10 7.12 22.53 + + +*+ ++ + ++ Angle PHI VAL 71 -144.00 -114.00 12 8.71 22.84 *+++++++ + + ++ Angle PSI VAL 71 120.00 142.00 10 7.90 23.96 + * + + + +++++ Angle PHI HIS 72 -126.00 -76.00 12 9.92 48.92 +*+++ + + + ++++ Angle PSI HIS 72 117.00 165.00 6 4.36 20.42 + * + + + + Angle PHI LYS 74 -145.00 -123.00 7 4.71 18.32 + ++ ++ +* Angle PSI LYS 74 142.00 168.00 8 6.78 30.54 ++ + ++ ++* Angle PHI VAL 75 -136.00 -112.00 6 4.19 23.05 + * +++ + Angle PHI LEU 76 -116.00 -96.00 11 7.87 40.48 ++++ + +++ + +* Angle PSI LEU 76 104.00 128.00 8 5.56 26.54 + + ++ + + + * Angle PSI THR 80 160.00 180.00 9 4.57 15.62 * +++++ + + + Angle PSI GLU 83 -49.00 -29.00 9 4.24 13.59 + ++ +* + +++ Angle PSI LEU 84 -51.00 -31.00 8 3.71 9.81 + +++ * ++ + Angle PHI GLU 85 -74.00 -54.00 7 4.45 15.85 + ++ * + + + Angle PSI GLU 85 -50.00 -30.00 16 10.81 22.41 + ++++++ + ++ ++*+++ Angle PHI ASN 86 -75.00 -55.00 10 5.95 16.11 + *+ ++ +++++ Angle PSI ASN 86 -49.00 -29.00 9 7.41 31.03 +* + + + + + ++ Angle PHI LEU 87 -72.00 -52.00 20 21.98 44.66 +++++++++++++++++++* Angle PSI LEU 87 -51.00 -31.00 7 6.34 25.82 + + + *+++ Angle PHI ASP 88 -73.00 -53.00 10 14.72 69.12 ++ + + +++ * ++ Angle PSI ASP 88 -48.00 -28.00 15 13.66 30.08 +++++*+++++ ++++ Angle PHI ALA 89 -75.00 -55.00 16 16.07 33.74 +++ *+++++ ++++++ + Angle PSI ALA 89 -48.00 -28.00 14 14.59 48.74 +++ +++++++ +* ++ Angle PHI VAL 90 -72.00 -52.00 13 8.43 29.15 +++ + +++ + +*+++ Angle PSI VAL 90 -56.00 -34.00 11 8.23 37.78 ++++++ ++ * ++ Angle PHI GLU 91 -77.00 -57.00 13 14.40 43.03 ++ +* + +++ ++ +++ Angle PSI GLU 91 -45.00 -23.00 11 15.55 49.13 +++++ ++++ + * Angle PHI GLY 92 -93.00 -57.00 12 14.93 45.94 +++++ ++++ ++ * Angle PSI GLY 92 -48.00 -18.00 17 26.06 53.01 ++++ ++++++ ++ ++*++ Angle PHI ASN 93 -85.00 -59.00 19 21.17 36.15 ++ ++++++++++++++*++ Angle PSI ASN 93 -45.00 -25.00 12 8.81 22.21 +++++ ++++ ++ * Angle PSI TYR 95 143.00 167.00 9 8.02 40.77 ++ ++ ++ +* + Angle PHI GLU 96 -157.00 -125.00 17 12.47 42.26 +++ ++++ +++++*++ ++ Angle PSI ARG 97 115.00 135.00 12 5.19 12.36 +++ + + + ++* +++ Angle PHI THR 99 -111.00 -87.00 10 7.34 22.80 ++* + + + + +++ Angle PSI VAL 100 151.00 171.00 6 3.94 19.91 + + * +++ Angle PHI GLU 105 -68.00 -48.00 11 6.41 28.51 *++++ +++++ + Angle PHI SER 108 -88.00 -50.00 6 2.84 10.83 + + + + + * Angle PHI LYS 110 -109.00 -67.00 12 6.14 13.43 + +*+ + +++ ++ + + Angle PHI ALA 112 -119.00 -87.00 11 7.16 30.73 ++* ++ + + + ++ + Angle PSI ALA 112 118.00 144.00 9 6.42 26.38 + ++++ + +* + Angle PHI VAL 113 -146.00 -126.00 10 5.38 15.61 ++ + + +++*+ + Angle PHI LYS 114 -141.00 -95.00 8 6.26 22.94 +++ * + + ++ Angle PSI LYS 114 134.00 164.00 6 3.63 18.77 + + + ++ * Angle PHI TYR 116 -125.00 -97.00 10 8.36 26.57 ++* + + +++ ++ Angle PHI MET 117 -139.00 -107.00 7 4.01 18.16 + ++* + + + Angle PSI MET 117 116.00 154.00 7 5.03 24.75 ++ + + * + + Angle PHI ILE 119 -72.00 -52.00 20 15.00 25.39 +++++++++++++++++++* Angle PHI ASN 120 -107.00 -79.00 12 7.97 37.59 *+++++ ++ + + ++ Angle PSI ASN 120 -9.00 11.00 14 8.57 23.06 +++++ ++* ++ + +++ Angle PHI GLU 129 -124.00 -80.00 11 6.72 23.43 + + + + * +++ +++ Angle PSI GLU 129 128.00 150.00 7 5.68 26.63 + * ++ ++ + Angle PHI TRP 130 -127.00 -69.00 7 5.29 21.06 + ++ +++ * Angle PSI TRP 130 124.00 156.00 7 4.58 18.56 + *+++ + + Angle PSI GLU 133 -49.00 -29.00 8 4.66 22.44 + ++ +*+ ++ Angle PHI GLU 134 -79.00 -59.00 11 5.00 14.87 + ++ ++++ + * ++ Angle PSI GLU 134 -54.00 -34.00 14 10.16 26.43 ++ + ++++ + ++*+ ++ Angle PHI TRP 135 -74.00 -54.00 11 7.71 27.26 + + ++++ + +* ++ Angle PSI TRP 135 -51.00 -31.00 6 4.00 21.77 + + * + + + Angle PHI LYS 136 -73.00 -53.00 8 5.04 23.73 + + +++ ++ * Angle PSI LYS 136 -52.00 -32.00 8 6.32 25.21 ++ + + + + *+ Angle PSI ARG 137 -51.00 -31.00 16 10.62 39.66 +++++ +++ ++++*+ ++ Angle PHI LEU 138 -91.00 -69.00 11 7.14 42.31 +++++ + + +*+ + Angle PSI LEU 138 -39.00 -15.00 18 30.43 57.53 ++++ +*++++++++++++ Angle PHI HIS 139 -105.00 -65.00 16 15.68 36.42 ++ ++ +++++ *+++ +++ Angle PSI HIS 139 -39.00 -7.00 6 6.07 31.79 ++ * + + + Angle PSI LYS 140 -55.00 -35.00 19 19.90 41.16 + ++++++++++++++++*+ Angle PHI LYS 141 -69.00 -49.00 13 10.14 23.56 * ++ ++ +++ +++ ++ Angle PSI LYS 141 -52.00 -32.00 6 4.74 39.60 + ++ + +* Angle PHI LYS 142 -75.00 -55.00 14 10.16 27.70 ++ ++ +++++++ *++ Angle PSI LYS 142 -49.00 -29.00 12 6.94 14.04 +++ + ++ ++* ++ + Angle PHI PHE 143 -76.00 -56.00 13 8.68 21.73 +++ ++++*+++ ++ Angle PSI ILE 144 -54.00 -34.00 17 17.99 36.51 ++++ +++*++++++ +++ Angle PHI GLU 145 -72.00 -52.00 17 12.58 22.83 ++++ ++++*+++++ +++ Angle PHI THR 146 -80.00 -60.00 11 8.86 22.30 *++ +++ + + + ++ Angle PSI PHE 147 -51.00 -31.00 8 5.17 25.10 +*+ + + + + + Angle PSI LYS 148 -49.00 -29.00 6 3.44 12.04 + *+ ++ + Angle PHI LYS 149 -74.00 -54.00 9 5.33 14.17 + ++++ ++ * + 9 violated distance constraints. 116 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 2.28 +/- 0.65 A (1.39..3.84 A; 20 structures) Average heavy atom RMSD to mean : 2.83 +/- 0.61 A (1.97..4.37 A; 20 structures)