Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 161.03 6 0.0925 2.20 154 99.5 0.54 7910.8736 43.54 2 166.49 9 0.0978 2.28 131 101.8 0.87 66 9.1736 47.18 3 178.78 9 0.0968 2.88 158 103.0 0.84 8111.1634 45.54 4 196.62 11 0.1026 1.98 169 112.3 0.76 7911.3069 69.21 5 197.20 4 0.1001 1.92 171 112.5 0.94 8512.0769 46.28 6 201.02 8 0.0988 1.93 188 122.7 0.90 8712.7080 68.74 7 205.87 7 0.1061 3.31 175 117.2 0.76 8311.8458 69.59 8 208.09 9 0.1072 2.26 184 121.6 0.72 7711.4753 53.74 9 210.03 10 0.1065 2.41 150 101.1 0.58 8013.4241 67.67 10 216.55 5 0.1039 1.96 218 132.5 0.78 9212.4955 51.54 11 219.75 8 0.1062 2.73 215 130.8 0.90 8012.4103 54.07 12 221.57 9 0.1123 3.06 185 122.1 0.64 8011.3088 46.50 13 227.04 13 0.1149 2.77 196 125.2 0.64 7110.6301 44.20 14 228.78 10 0.1101 3.26 200 133.0 0.84 7212.0085 55.18 15 231.19 9 0.1052 2.36 220 134.3 0.75 9514.0818 61.87 16 240.97 11 0.1139 2.71 192 125.0 0.71 9313.3302 57.30 17 244.57 14 0.1169 2.44 211 133.1 0.59 7012.1783 54.58 18 244.78 16 0.1172 3.53 237 146.6 0.88 7610.5581 52.05 19 246.11 11 0.1081 2.40 193 118.4 0.59 8916.3199 93.66 20 246.84 14 0.1145 2.53 231 141.9 0.89 8111.9886 47.46 Ave 214.67 10 0.1066 2.55 189 121.7 0.76 8112.0679 56.50 +/- 25.16 3 0.0069 0.47 28 13.3 0.12 8 1.4633 12.03 Min 161.03 4 0.0925 1.92 131 99.5 0.54 66 9.1736 43.54 Max 246.84 16 0.1172 3.53 237 146.6 0.94 9516.3199 93.66 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG LEU 17 - H ALA 112 3.82 12 1.74 3.31 ++++ +*++ + + + + peak 970 HG2 ARG 38 - H ALA 112 HB2 LEU 47 - H ALA 112 QG2 ILE 63 - H GLY 101 QD1 LEU 87 - H GLY 101 Upper QD2 LEU 17 - HA GLU 83 3.55 12 1.54 2.71 + ++ + + + + *++++ peak 1410 QD2 LEU 17 - HA ARG 137 QD2 LEU 36 - HA ARG 137 H LEU 8 - HA LYS 121 Upper QG2 VAL 20 - H LYS 140 3.31 13 1.58 2.41 ++++ +* +++ + +++ peak 466 QG2 ILE 42 - H LYS 140 HG13 ILE 42 - H LYS 140 QD1 ILE 42 - H LYS 140 HB3 ASP 82 - H GLU 85 H GLU 85 - HB2 ARG 104 H GLU 85 - HB2 ASN 120 Upper HA VAL 31 - HB ILE 32 3.90 15 1.40 1.96 +++ ++++ +*++++++ peak 2148 HA VAL 31 - HG3 PRO 157 Upper HA MET 35 - HZ PHE 147 3.45 9 1.22 2.77 + + + ++* +++ peak 257 HA PHE 147 - HZ PHE 147 Upper HD2 PRO 48 - HB3 LEU 138 3.40 16 1.63 2.53 ++++++ ++ ++ +++ ++* peak 2043 HB3 LEU 138 - HA LYS 140 HE3 LYS 121 - HB3 ARG 137 HE3 LYS 121 - HB2 LYS 155 Upper HD3 PRO 48 - HA ASP 123 3.14 6 1.22 3.26 + +*+ + + peak 513 HD3 PRO 48 - HA ASP 125 QE TYR 95 - HG2 ARG 104 QE TYR 95 - HB2 LYS 114 QE TYR 95 - HG LEU 138 Upper HG3 GLN 51 - HG13 ILE 119 3.35 6 1.21 3.06 ++ *+ + + peak 684 HB3 MET 77 - HG13 ILE 119 HB2 LEU 87 - HG13 ILE 119 HG13 ILE 119 - HB2 PRO 157 HA VAL 98 - HB3 MET 117 HA VAL 98 - HB3 GLU 145 Upper H GLU 83 - H GLU 96 3.69 6 0.87 2.13 + +*+ + + peak 1098 H GLU 85 - H GLU 96 H GLU 96 - H ILE 119 H GLU 83 - HG3 GLU 152 H GLU 85 - HG3 GLU 145 H GLU 85 - HG3 GLU 152 H TRP 135 - HG3 GLU 145 VdW HB3 LEU 17 - N VAL 79 2.45 7 0.12 0.42 + + + *++ + VdW CD2 LEU 17 - OG1 THR 80 2.90 9 0.14 0.36 +*+ ++ ++ + + VdW HD2 HIS 18 - O VAL 79 2.30 12 0.24 0.51 + +* ++ +++ ++++ VdW HA ASN 19 - O LEU 76 2.30 7 0.12 0.37 + + ++++* VdW ND2 ASN 19 - C ASN 19 2.95 6 0.10 0.46 + +++ + * VdW CG1 VAL 20 - C VAL 20 2.90 11 0.20 0.33 + + + ++ + + + +*+ VdW CG1 VAL 20 - N PHE 21 3.05 8 0.12 0.37 + + + + * +++ VdW O VAL 20 - N LEU 76 2.75 12 0.31 0.88 +++++ + ++ + +* + VdW O VAL 20 - H LEU 76 1.80 9 0.20 0.44 +++ + + *+ ++ VdW O VAL 20 - CB LEU 76 2.90 7 0.15 0.50 ++ + + *+ + VdW HA ASP 28 - CD PRO 29 2.60 10 0.15 0.31 + ++*++ ++ + + VdW CG2 ILE 32 - CD1 ILE 32 3.00 7 0.13 0.33 + + +*+ ++ VdW CG2 ILE 32 - C ILE 32 2.90 11 0.20 0.33 + * + ++ ++++++ VdW HA ASN 33 - O ARG 38 2.30 6 0.12 0.28 + + +* + + VdW O ASN 33 - CA ASP 37 2.90 6 0.17 0.31 * + ++ ++ VdW O ASN 33 - HA ASP 37 2.30 10 0.19 0.50 + + + *+ ++ +++ VdW O LEU 36 - CB ASP 37 2.90 7 0.16 0.44 * + + + ++ + VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++*+++++++++ VdW O THR 46 - CD PRO 48 2.90 6 0.12 0.41 +*++ ++ VdW O THR 46 - HD3 PRO 48 2.30 8 0.14 0.44 ++++ + + +* VdW CG LEU 47 - O LEU 47 2.90 13 0.29 0.57 ++ +++++* +++ ++ VdW HG LEU 47 - O LEU 47 2.30 7 0.14 0.60 + +++ * ++ VdW CD1 LEU 47 - O LEU 47 2.90 9 0.29 0.87 *+ +++++ + + VdW CD2 LEU 47 - C LEU 47 3.10 11 0.23 0.52 ++++ +* ++ ++ + VdW CD2 LEU 47 - O LEU 47 2.90 9 0.25 0.90 +++ ++ *+ ++ VdW HD21 LEU 47 - O LEU 47 2.30 6 0.11 0.37 + + *+ + + VdW O GLY 49 - HA PRO 65 2.30 8 0.14 0.52 *+ ++ + ++ + VdW CG PHE 50 - C PHE 50 2.90 6 0.11 0.25 ++ + * + + VdW CD2 PHE 50 - C PHE 50 3.10 8 0.15 0.68 *++ + + ++ + VdW CG GLN 51 - N ARG 52 3.05 6 0.10 0.37 *++ + + + VdW CB TYR 60 - CD PRO 61 3.20 16 0.32 0.57 ++++++ +++++* ++ ++ VdW CB TYR 60 - HD2 PRO 61 2.60 8 0.18 0.61 +* ++ + + ++ VdW HB3 TYR 60 - HD2 PRO 61 2.00 6 0.12 0.54 +* ++ + + VdW SG CYS 62 - N ILE 63 3.25 8 0.17 0.59 + + *+ + ++ + VdW CG2 ILE 63 - C ILE 63 2.90 11 0.20 0.33 +++ *++++ +++ VdW CG2 ILE 63 - N VAL 64 3.05 6 0.15 0.37 ++ + + * + VdW HB VAL 64 - HD2 PRO 65 2.00 6 0.12 0.62 + ++ ++* VdW CG1 VAL 64 - C VAL 64 2.90 7 0.11 0.33 ++ + + * + + VdW CG2 VAL 64 - HD2 PRO 65 2.60 6 0.14 0.73 ++ + * + + VdW CG1 VAL 75 - C VAL 75 2.90 9 0.15 0.32 * +++ + + ++ + VdW CA LEU 76 - CD1 LEU 76 3.00 6 0.14 0.26 + ++ + +* VdW CD1 LEU 76 - C LEU 76 3.10 13 0.25 0.59 + +++ +* + +++ ++ + VdW CG1 VAL 79 - O VAL 79 2.90 7 0.15 0.69 + + + +* ++ VdW CG1 VAL 79 - CB LEU 84 3.20 6 0.09 0.33 + + ++ * + VdW H THR 80 - CB GLU 83 2.55 7 0.13 0.39 *++ + ++ + VdW O THR 80 - C SER 81 2.80 6 0.15 0.33 + *+ + + + VdW C LEU 84 - N ASN 86 2.95 9 0.16 0.36 + + + * + +++ + VdW C LEU 84 - H ASN 86 2.45 7 0.15 0.55 + * + +++ + VdW O LEU 84 - N ASN 86 2.75 8 0.23 0.90 + ++* + ++ + VdW CG2 VAL 98 - O THR 115 2.90 6 0.15 0.62 ++ + + + * VdW O ILE 102 - O MET 111 2.60 6 0.12 0.56 + + ++ + * VdW H GLU 105 - CG GLU 105 2.55 9 0.13 0.39 + + ++ * + ++ + VdW O ASP 106 - CB ASN 107 2.90 7 0.14 0.59 + ++ + + * + VdW O LYS 121 - CB ALA 122 2.90 6 0.13 0.53 * + ++ + + VdW HA ASP 123 - CD PRO 124 2.60 7 0.10 0.31 + + ++ * + + VdW CG PHE 132 - C PHE 132 2.90 7 0.13 0.25 * + + + ++ + VdW CB LEU 138 - H HIS 139 2.55 11 0.21 0.39 + ++*+++ + +++ VdW HB3 LEU 138 - N HIS 139 2.45 7 0.11 0.30 + + + ++ + * VdW HB3 LEU 138 - H HIS 139 1.95 8 0.15 0.45 ++ * +++ + + VdW O HIS 139 - C LYS 140 2.80 10 0.18 0.38 + + +*++ + + ++ VdW O HIS 139 - N LYS 142 2.75 7 0.18 0.57 + +* + + + + VdW O HIS 139 - H LYS 142 1.80 6 0.14 0.57 + +* + + + VdW H LYS 141 - CG LYS 141 2.55 8 0.13 0.39 + + *+ + ++ + VdW O LYS 141 - N GLU 145 2.75 10 0.21 0.58 + ++ + +++ * + + VdW O LYS 141 - CA GLU 145 2.90 8 0.14 0.38 + + + +++ * + VdW CG2 ILE 144 - C ILE 144 2.90 6 0.12 0.33 * ++ + + + VdW C ILE 144 - N THR 146 2.95 6 0.10 0.29 + +++ * + VdW O ILE 144 - C GLU 145 2.80 9 0.16 0.33 + ++ +*+ + ++ VdW O ILE 144 - N THR 146 2.75 7 0.13 0.43 + +++ * + + VdW O ILE 144 - N PHE 147 2.75 6 0.11 0.36 + ++ ++ * VdW HG3 GLU 145 - C GLU 145 2.50 6 0.11 0.45 + + ++ * + VdW O GLU 145 - N LYS 149 2.75 6 0.12 0.43 + * ++ + + VdW CG2 ILE 150 - C ILE 150 2.90 9 0.18 0.29 ++ + *++ +++ VdW HA LYS 156 - CD PRO 157 2.60 8 0.14 0.30 + +++ *+ ++ Angle PHI HIS 18 -140.00 -116.00 7 4.02 14.65 + + * + + + + Angle PSI HIS 18 139.00 159.00 18 16.16 31.51 ++++ +++ +*+++++++++ Angle PHI VAL 20 -132.00 -112.00 14 9.87 24.76 + ++++ *+++++ + + + Angle PSI VAL 20 124.00 144.00 15 10.71 20.47 ++ ++ +++ ++ +++ +*+ Angle PHI PHE 21 -129.00 -95.00 19 17.96 32.05 ++ +++++++++++++*+++ Angle PHI VAL 22 -139.00 -103.00 13 8.97 29.25 ++++ ++ +*+ ++ ++ Angle PSI PRO 29 -39.00 -29.00 8 4.64 16.76 + ++ +++ + * Angle PHI ASP 30 -76.00 -56.00 9 5.22 21.75 + + + + ++ + *+ Angle PSI ASP 30 -48.00 -28.00 8 3.72 14.95 +++ + * + + + Angle PHI VAL 31 -76.00 -56.00 10 7.21 29.57 + ++* + ++++ + Angle PHI ILE 32 -73.00 -53.00 6 3.87 15.09 ++ + * + + Angle PSI ASN 33 -52.00 -32.00 8 4.93 21.86 ++ + + *+ + + Angle PHI VAL 34 -81.00 -61.00 7 4.08 11.70 + +*+ ++ + Angle PSI VAL 34 -51.00 -31.00 9 4.49 12.62 ++ +++ + + + * Angle PHI MET 35 -78.00 -58.00 9 5.66 16.62 + + + ++ +*++ Angle PSI MET 35 -35.00 -15.00 10 5.58 13.73 ++ ++ + + *++ + Angle PSI THR 39 120.00 150.00 8 4.38 20.11 + + +*+ + + + Angle PSI PRO 40 116.00 150.00 20 10.67 29.97 ++++++++++++++++*+++ Angle PSI ILE 42 123.00 143.00 9 6.12 18.15 *++ + + ++ ++ Angle PSI VAL 43 120.00 146.00 11 7.84 21.14 +++ + + ++ + +*+ Angle PHI SER 44 -115.00 -77.00 13 9.14 23.94 *++++ ++ + ++ +++ Angle PSI SER 44 123.00 143.00 11 6.72 19.94 + + +++++ + + +* Angle PHI ALA 45 -145.00 -125.00 9 7.51 23.08 +++ +++ * + + Angle PSI LEU 47 94.00 144.00 11 9.19 28.11 +++ +++* ++ ++ Angle PSI PRO 48 136.00 156.00 14 10.42 26.39 + +++*++++++ + ++ Angle PSI PHE 50 145.00 175.00 15 14.60 42.42 + ++++++++++* + ++ Angle PHI GLN 51 -165.00 -141.00 7 3.44 9.99 + + ++++ * Angle PSI GLN 51 141.00 167.00 11 8.55 36.74 + ++ + + ++++ + * Angle PHI ARG 52 -141.00 -101.00 19 28.00 49.21 ++++++++*++++++++++ Angle PSI ARG 52 118.00 150.00 20 20.11 32.21 +*++++++++++++++++++ Angle PSI CYS 62 148.00 170.00 15 11.49 26.35 +++++ ++*+ ++ + +++ Angle PHI ILE 63 -151.00 -129.00 17 17.45 54.45 +++++ +++++++++*+ + Angle PHI SER 66 -124.00 -76.00 6 3.00 12.53 + + + + + * Angle PHI VAL 71 -144.00 -114.00 13 7.40 23.57 +++++ *++ ++ ++ + Angle PSI VAL 71 120.00 142.00 12 5.15 19.69 + + ++ ++ ++ *++ + Angle PHI LYS 74 -148.00 -128.00 9 5.24 18.71 +++*+ + ++ + Angle PSI LYS 74 146.00 170.00 7 5.14 18.29 + + ++ *+ + Angle PHI VAL 75 -136.00 -112.00 14 9.51 34.82 + + + +++++ ++*+++ Angle PSI VAL 75 117.00 149.00 7 4.96 21.92 + ++ ++ * + Angle PHI LEU 76 -116.00 -96.00 12 8.00 21.35 +++ *+++++ + + + Angle PSI MET 77 120.00 178.00 9 7.11 26.29 ++ ++ + + *+ + Angle PHI THR 80 -117.00 -71.00 8 4.57 14.40 +++ * ++ ++ Angle PSI THR 80 159.00 179.00 16 10.83 25.74 +++ +++++ +++++* ++ Angle PHI SER 81 -70.00 -50.00 14 8.36 22.30 + +++*+ ++ ++++++ Angle PSI SER 81 -48.00 -28.00 6 3.43 15.10 ++ + *+ + Angle PHI ASP 82 -77.00 -57.00 17 16.90 50.83 +++++++++++ + + ++*+ Angle PHI GLU 83 -78.00 -58.00 10 6.18 22.60 ++ + +++ +*+ + Angle PSI GLU 83 -49.00 -29.00 6 3.70 16.28 + + + ++ * Angle PHI LEU 84 -73.00 -53.00 8 7.68 37.32 + * + + + ++ + Angle PSI LEU 84 -51.00 -31.00 16 20.10 42.47 + + ++++ + +++++++*+ Angle PHI GLU 85 -76.00 -56.00 17 23.54 93.66 + +++++++++++ +++ *+ Angle PSI GLU 85 -52.00 -32.00 12 12.98 66.00 +++ + +* + ++ +++ Angle PHI ASN 86 -76.00 -56.00 17 15.57 67.67 ++++ + +*+++ +++++++ Angle PSI ASN 86 -50.00 -30.00 9 6.88 21.84 + + + + + + +*+ Angle PHI LEU 87 -72.00 -52.00 10 6.94 24.74 * ++ ++ + ++++ Angle PSI LEU 87 -51.00 -31.00 10 6.00 22.27 + + + + * ++ +++ Angle PHI ASP 88 -73.00 -53.00 12 7.82 23.45 + ++++++* +++ + Angle PHI VAL 90 -77.00 -57.00 7 7.66 41.76 *++ + ++ + Angle PSI VAL 90 -56.00 -32.00 6 5.63 20.53 *+ + + + + Angle PSI TYR 95 142.00 162.00 7 3.89 20.74 +++ *+ ++ Angle PHI GLU 96 -157.00 -125.00 8 6.79 40.97 +++ ++ + *+ Angle PSI GLU 96 129.00 163.00 9 8.17 43.70 ++ + + ++ +* + Angle PHI ARG 97 -112.00 -88.00 14 13.68 29.90 +++ ++ ++ ++++* ++ Angle PSI ARG 97 115.00 135.00 9 4.79 20.82 ++ + + ++ *+ + Angle PHI VAL 98 -147.00 -123.00 12 7.20 24.39 + +++ + + ++ *+++ Angle PSI VAL 98 146.00 170.00 9 5.92 29.40 ++ + + *+ + + + Angle PHI THR 99 -108.00 -88.00 10 7.37 26.31 + + + +++ +* ++ Angle PSI THR 99 127.00 151.00 13 11.74 34.11 + ++++ + ++ +++ +* Angle PHI VAL 100 -148.00 -128.00 11 8.93 30.87 + ++ ++ + +* + + + Angle PSI VAL 100 149.00 169.00 11 6.94 16.77 *++ ++ ++++ ++ Angle PHI GLY 101 -140.00 -82.00 12 9.00 32.54 ++ +++++ +*+ ++ Angle PHI ILE 102 -140.00 -120.00 7 4.52 17.77 + *+ + + ++ Angle PSI ILE 102 136.00 160.00 6 4.34 18.83 + * + + + + Angle PHI VAL 103 -130.00 -84.00 11 7.59 29.58 + +++* + ++ + ++ Angle PHI GLU 105 -69.00 -49.00 7 5.81 23.23 ++ ++ *+ + Angle PSI GLU 105 -55.00 -35.00 11 7.23 22.99 ++++* ++ + + + + Angle PHI ASP 106 -81.00 -55.00 7 3.31 12.81 + ++ + ++ * Angle PSI MET 111 134.00 160.00 12 9.53 27.78 + ++ + + + +*++ ++ Angle PHI ALA 112 -119.00 -87.00 16 16.81 45.63 + + *++++++++ +++ ++ Angle PSI ALA 112 118.00 144.00 10 7.31 45.29 ++ ++ +*+ +++ Angle PHI VAL 113 -146.00 -126.00 7 7.06 31.83 ++++ +* + Angle PSI VAL 113 147.00 173.00 12 9.30 69.21 +++*+ + ++ ++ + + Angle PSI LYS 114 134.00 164.00 9 4.50 15.43 +++ + + ++* + Angle PHI THR 115 -156.00 -112.00 6 4.07 20.17 ++ + * ++ Angle PSI THR 115 123.00 171.00 10 10.96 57.30 + + +++++*+ + Angle PHI TYR 116 -125.00 -97.00 11 9.69 31.79 +++++ *+ ++ + + Angle PSI TYR 116 109.00 139.00 12 11.96 54.07 +++ ++ +*+ ++ ++ Angle PHI MET 117 -141.00 -103.00 12 10.05 25.14 + +*++++ ++++ + Angle PSI MET 117 113.00 151.00 11 7.69 34.60 +++ + +++ + * ++ Angle PHI TRP 118 -103.00 -65.00 11 11.05 38.88 ++ ++++ ++ + * + Angle PSI TRP 118 113.00 153.00 17 17.45 53.74 ++++++*+++++ +++ ++ Angle PHI ILE 119 -78.00 -50.00 15 14.67 43.42 +++*+++ +++ + ++ ++ Angle PSI ILE 119 -43.00 -21.00 11 9.81 34.41 ++ +++* + ++ ++ Angle PHI ASN 120 -107.00 -79.00 12 9.34 25.73 ++ + ++ *+ +++ ++ Angle PSI ASN 120 -9.00 11.00 6 5.61 25.35 * ++++ + Angle PSI PHE 132 -54.00 -34.00 7 7.81 40.35 + +++ + +* Angle PSI GLU 133 -49.00 -29.00 10 7.50 24.04 ++ ++ + ++++ * Angle PHI GLU 134 -77.00 -57.00 12 6.78 38.79 ++ + ++ + + +++ +* Angle PSI GLU 134 -50.00 -30.00 8 6.05 21.84 + + + +* +++ Angle PHI TRP 135 -74.00 -54.00 8 4.60 21.09 + + + +* +++ Angle PSI TRP 135 -52.00 -32.00 7 5.83 29.22 ++ + *++ + Angle PHI LYS 136 -72.00 -52.00 8 4.48 13.77 +*+ ++ + ++ Angle PSI LYS 136 -49.00 -29.00 8 7.96 41.56 + ++++ * + + Angle PHI ARG 137 -74.00 -54.00 11 7.11 41.02 ++ ++ ++ + +* + + Angle PSI ARG 137 -51.00 -31.00 12 8.46 47.46 ++++++ + +++ +* Angle PSI LEU 138 -45.00 -15.00 20 46.45 69.59 ++++++*+++++++++++++ Angle PHI HIS 139 -115.00 -77.00 20 35.67 61.87 ++++++++++++++*+++++ Angle PSI HIS 139 -37.00 5.00 17 18.02 36.80 + +++ ++++*+++ +++++ Angle PHI LYS 140 -70.00 -50.00 14 11.35 27.56 + + +++*++++ + +++ Angle PSI LYS 140 -53.00 -33.00 8 7.86 42.54 + ++* ++ + + Angle PHI LYS 141 -75.00 -55.00 12 8.48 35.30 ++ +* ++++ ++ ++ Angle PSI LYS 141 -50.00 -30.00 11 8.75 38.80 ++ ++ + ++ + + + * Angle PHI LYS 142 -75.00 -55.00 8 9.18 61.66 + + + ++ + + * Angle PSI LYS 142 -51.00 -31.00 14 9.26 31.70 +++++++ ++ + + +*+ Angle PHI PHE 143 -76.00 -56.00 11 7.88 36.20 +++ + +++ +++ * Angle PSI PHE 143 -53.00 -33.00 7 7.20 41.72 + +++ + +* Angle PHI ILE 144 -73.00 -53.00 10 9.37 51.00 ++ +++ + ++ +* Angle PSI ILE 144 -54.00 -34.00 14 24.09 55.18 ++ ++ ++++++* ++ + Angle PHI GLU 145 -72.00 -52.00 14 13.86 53.96 ++ ++ +++++*+++ + Angle PHI THR 146 -81.00 -61.00 14 10.80 20.52 ++++ ++++++ +*+ + Angle PHI PHE 147 -76.00 -56.00 17 15.42 30.64 ++ ++ ++++*++ ++++++ Angle PSI PHE 147 -51.00 -31.00 9 5.87 28.07 * ++ + ++++ + Angle PHI LYS 148 -74.00 -54.00 12 7.68 20.72 + + ++++ ++ + ++* Angle PSI LYS 148 -49.00 -29.00 12 8.59 31.31 + + + ++++++* ++ Angle PHI LYS 149 -74.00 -54.00 12 7.19 21.48 + ++ + +++++ *+ + Angle PSI LYS 149 -49.00 -29.00 7 5.03 18.03 ++ + * +++ Angle PHI ILE 150 -74.00 -54.00 7 3.97 13.67 ++ + * +++ 9 violated distance constraints. 74 violated van der Waals constraints. 127 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.22 +/- 1.88 A (5.56..14.21 A; 20 structures) Average heavy atom RMSD to mean : 8.82 +/- 1.89 A (6.25..14.96 A; 20 structures)