Structural statistics: str target upper limits lower limits van der Waals torsion angles function # rms max # rms max # sum max # rms max 1 276.33 11 0.0989 3.82 6 0.0675 0.57 146 94.0 0.70 29 4.7216 22.84 2 280.78 11 0.0992 3.78 6 0.0728 0.49 148 99.8 0.72 30 4.9072 19.97 3 281.08 10 0.0990 3.84 8 0.0889 0.58 158 97.7 0.75 31 5.3535 29.91 4 281.67 13 0.1002 3.83 4 0.0677 0.58 147 98.3 0.63 26 4.2411 15.86 5 283.24 15 0.1002 3.80 4 0.0744 0.62 139 95.8 0.76 33 4.6664 24.93 6 283.82 9 0.0984 3.59 6 0.0769 0.49 157 102.8 0.86 39 6.3347 29.40 7 288.37 13 0.0985 3.81 4 0.0715 0.59 161 105.5 0.89 38 6.9622 33.98 8 288.57 13 0.1010 3.83 4 0.0624 0.44 129 99.4 0.87 32 5.4933 26.16 9 289.15 12 0.0993 3.93 4 0.0611 0.46 150 101.8 0.83 38 6.7544 37.51 10 289.72 12 0.1003 3.90 8 0.0696 0.47 162 100.8 0.84 31 5.4920 22.30 11 291.90 10 0.1013 3.86 6 0.0657 0.49 160 102.6 0.67 31 4.6418 21.76 12 293.40 9 0.1002 3.79 6 0.0616 0.43 146 97.4 0.96 29 6.6201 34.49 13 293.61 12 0.1019 3.73 8 0.0813 0.57 158 102.4 0.86 25 4.7589 26.77 14 294.42 12 0.1022 3.96 2 0.0473 0.35 144 100.0 0.98 23 4.7771 26.55 15 294.46 13 0.1011 3.87 4 0.0732 0.55 163 101.9 0.77 33 5.1824 24.94 16 294.51 11 0.1009 3.72 4 0.0750 0.52 169 103.6 0.85 29 5.5785 27.23 17 295.01 9 0.0990 3.75 4 0.0744 0.52 180 118.9 0.75 32 6.5070 54.71 18 295.08 12 0.1015 3.59 4 0.0624 0.42 172 110.8 0.72 28 4.5017 19.46 19 295.32 13 0.1012 3.76 4 0.0608 0.38 181 106.8 0.70 24 5.3937 46.20 20 295.39 8 0.1014 3.67 4 0.0705 0.60 164 105.4 0.65 35 4.6622 21.32 Ave 289.29 11 0.1003 3.79 5 0.0692 0.51 157 102.3 0.79 31 5.3775 28.31 +/- 5.90 2 0.0011 0.10 2 0.0087 0.07 13 5.4 0.10 4 0.8143 9.14 Min 276.33 8 0.0984 3.59 2 0.0473 0.35 129 94.0 0.63 23 4.2411 15.86 Max 295.39 15 0.1022 3.96 8 0.0889 0.62 181 118.9 0.98 39 6.9622 54.71 Cut 1.50 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG2 LYS 24 - QD2 LEU 123 3.87 13 1.69 3.28 ++*+++++ ++ + ++ peak 11575 HG3 LYS 26 - QD2 LEU 123 QB ALA 29 - QD2 LEU 123 HG2 LYS 36 - QD2 LEU 123 HB3 LEU 100 - QD2 LEU 123 HE21 GLN 101 - QD2 LEU 123 Upper HB3 GLN 27 - H LEU 43 4.00 19 2.19 2.98 + +++++++++++++++*++ peak 11316 H LEU 43 - HB2 LEU 62 H LEU 43 - HB VAL 118 H LEU 43 - HB2 GLN 127 HB3 GLU 55 - QB ALA 92 HB2 LEU 62 - QB ALA 92 HG3 PRO 81 - QB ALA 92 QB ALA 92 - HB2 GLN 127 Upper HA ALA 29 - HB2 LEU 123 4.37 19 1.96 2.41 ++++++*+++++ +++++++ peak 10371 HA GLU 30 - HB2 LEU 123 HA ALA 34 - HB2 LEU 123 HA SER 94 - HB2 LEU 123 HA SER 99 - HB2 LEU 123 HB2 LEU 122 - HB3 SER 124 HG LEU 122 - HB3 SER 124 Upper H ILE 32 - H SER 33 3.11 6 1.41 1.53 ++ +* ++ peak 6359 H SER 33 - H ASP 71 Upper QD1 ILE 32 - H ASP 47 5.25 9 1.33 2.58 + +++ ++ * ++ peak 9383 QD1 ILE 37 - H ASP 47 H ASP 47 - QD1 LEU 96 HA LEU 62 - H SER 124 Upper QG2 ILE 37 - HB3 LEU 103 3.93 20 3.74 3.93 ++++++++*+++++++++++ peak 11364 QG2 ILE 37 - HB3 LEU 122 HB3 GLU 97 - HB3 LEU 103 Upper QD2 LEU 43 - HB2 LEU 62 3.77 8 1.38 1.87 * ++ + + +++ peak 11309 QD2 LEU 43 - HG3 PRO 81 QD2 LEU 43 - HB VAL 118 QD2 LEU 43 - HB2 GLN 127 QB ALA 16 - HB3 GLU 91 QB ALA 34 - HB3 GLU 91 Upper QD1 LEU 48 - HB3 SER 124 3.88 6 1.06 2.29 + *+ + + + peak 10372 QD1 LEU 123 - HB3 SER 124 Upper HA HIS 67 - HB2 GLN 68 4.14 9 1.50 1.73 ++ + ++ + * ++ peak 11036 HA HIS 67 - HB3 GLN 127 Upper HB3 ASP 71 - HG LEU 119 4.19 19 2.96 3.96 +++++++++++++*++ +++ peak 10268 HB3 ASN 85 - HG LEU 119 HG2 GLN 27 - QG1 VAL 118 HG2 GLU 44 - QG1 VAL 118 QG1 VAL 118 - HG2 GLN 127 Upper H TYR 76 - QE TYR 76 4.34 19 1.82 1.90 +++++++*++++++++++ + peak 7031 Upper HG13 ILE 80 - HB3 PRO 81 4.27 8 1.47 2.22 + + ++ *+ ++ peak 11894 HB3 PRO 81 - QG2 ILE 129 Upper HB3 ASN 85 - HB3 LEU 119 5.04 11 1.88 3.60 *++++ ++ + + + + peak 10115 QD1 ILE 32 - HA SER 107 QD1 LEU 96 - HA SER 107 Lower O GLU 97 - N GLN 101 2.70 19 0.49 0.62 ++++*++++++++ ++++++ Lower O GLU 97 - N GLN 101 2.70 19 0.49 0.62 ++++*++++++++ ++++++ Lower O GLU 97 - H GLN 101 1.80 17 0.30 0.52 ++*+++++++ ++ ++ +++ Lower O GLU 97 - H GLN 101 1.80 17 0.30 0.52 ++*+++++++ ++ ++ +++ Upper QD2 LEU 98 - H GLN 101 3.11 13 1.55 1.80 + +*++++ ++++ ++ peak 11214 H GLN 101 - QD2 LEU 123 HB2 GLN 82 - HG2 GLN 101 Upper HB2 ASN 120 - HB2 LEU 123 2.73 9 1.38 1.72 + ++*+ ++ ++ peak 7483 HB3 ASN 120 - HB2 LEU 123 HB2 ASN 121 - HB2 LEU 123 H GLU 102 - H GLN 104 VdW CG2 THR 18 - C THR 18 2.90 15 0.22 0.32 + +++ + ++++++++ *+ VdW N VAL 20 - CG2 VAL 20 2.85 7 0.13 0.24 + ++ + +* + VdW CG2 THR 25 - C THR 25 2.90 6 0.09 0.32 + + + ++ * VdW H LYS 31 - CG LYS 31 2.55 6 0.10 0.36 ++ +++* VdW H ILE 32 - CG1 ILE 32 2.55 6 0.14 0.43 + * + + + + VdW CG2 ILE 32 - H SER 33 2.55 6 0.13 0.44 + + * +++ VdW CB SER 33 - H ALA 34 2.55 10 0.18 0.40 + *++ ++++ + + VdW H ILE 37 - CG1 ILE 37 2.55 9 0.17 0.36 +++ + + + +*+ VdW H ILE 37 - HG12 ILE 37 1.95 6 0.12 0.41 + * +++ + VdW C ILE 37 - O SER 38 2.80 6 0.11 0.41 + + * +++ VdW O ILE 37 - C SER 38 2.80 12 0.21 0.45 ++ ++ ++ + ++ +*+ VdW O ILE 37 - O SER 38 2.60 11 0.31 0.98 + ++ ++ + *+ +++ VdW CG LYS 39 - C LYS 39 2.90 6 0.16 0.24 ++ + + + * VdW CG LYS 39 - N GLU 40 3.05 7 0.16 0.47 +++ + + + * VdW HG2 LYS 39 - C LYS 39 2.50 12 0.21 0.39 + + +++++ ++*++ VdW HG2 LYS 39 - N GLU 40 2.45 7 0.19 0.55 + + +++* + VdW H LEU 43 - CG LEU 43 2.55 6 0.10 0.30 + ++ * + + VdW HA LEU 43 - OG SER 130 2.30 9 0.17 0.42 + ++++ +++ * VdW CG GLU 44 - C GLU 44 2.90 6 0.09 0.24 + *+ + ++ VdW O GLU 44 - CD2 LEU 48 2.90 8 0.11 0.32 + + + ++* + + VdW HA CYS 45 - CD2 LEU 48 2.60 8 0.13 0.41 + + + +++* + VdW O CYS 45 - CD1 LEU 48 2.90 8 0.22 0.64 *+ + + + ++ + VdW CD1 LEU 48 - N LEU 49 3.05 9 0.18 0.46 ++ + + * ++ + + VdW CD1 LEU 48 - H LEU 49 2.55 9 0.14 0.36 *+ + + + ++ + + VdW CD2 LEU 48 - C LEU 48 3.10 9 0.24 0.62 ++ + + + ++ * + VdW CD1 LEU 49 - C LEU 49 3.10 6 0.11 0.36 + + ++ *+ VdW CD1 LEU 49 - N SER 50 3.05 8 0.14 0.39 ++ ++ + *++ VdW O LEU 49 - N LEU 53 2.75 7 0.11 0.38 + ++++ +* VdW C LEU 53 - H GLU 55 2.45 7 0.14 0.39 ++ + ++ +* VdW N VAL 57 - CG2 VAL 57 2.85 6 0.17 0.23 * + + ++ + VdW O ASN 59 - HB VAL 63 2.30 9 0.14 0.31 + + + +* +++ + VdW CG GLN 61 - C GLN 61 2.90 6 0.10 0.24 + +* ++ + VdW CG1 VAL 63 - C VAL 63 2.90 6 0.13 0.31 + ++* ++ VdW O GLY 66 - HG LEU 70 2.30 10 0.22 0.70 +++ *+ + ++ ++ VdW CG GLN 68 - N LEU 69 3.05 9 0.15 0.36 *+ +++ + ++ + VdW O CYS 73 - HE1 PHE 89 2.30 8 0.14 0.45 + + ++ +* ++ VdW O TYR 76 - N CYS 79 2.75 7 0.17 0.26 + ++ + + * + VdW CG1 VAL 77 - C VAL 77 2.90 12 0.20 0.28 + *+ ++ ++ +++ ++ VdW CG2 ILE 80 - C ILE 80 2.90 14 0.23 0.33 ++ + + +++++ +++*+ VdW CG2 ILE 80 - O GLN 82 2.90 6 0.10 0.30 + + + *+ + VdW HG12 ILE 80 - HD2 PRO 81 2.00 10 0.18 0.47 ++ + +* + ++++ VdW CD1 ILE 80 - HA LYS 86 2.60 9 0.14 0.37 + + + + ++ ++* VdW O THR 83 - HB2 LYS 86 2.30 6 0.12 0.45 + + +* ++ VdW O ASN 85 - N PHE 89 2.75 10 0.17 0.26 + + ++ ++* + ++ VdW O ASN 85 - HB2 PHE 89 2.30 6 0.13 0.31 + *+ + ++ VdW CE1 PHE 89 - CG2 ILE 129 3.20 8 0.14 0.40 + + + * ++++ VdW CZ PHE 89 - CG2 ILE 129 3.20 6 0.14 0.36 + ++ +*+ VdW CG GLU 91 - C GLU 91 2.90 15 0.17 0.24 +++++++ + ++++++ * VdW CG GLU 91 - N ALA 92 3.05 7 0.14 0.34 + * ++++ + VdW HG3 GLU 91 - C GLU 91 2.50 15 0.25 0.42 +++*+++ + ++++++ + VdW CB ALA 92 - HG13 ILE 129 2.60 6 0.12 0.40 ++ * ++ + VdW O ALA 92 - HB3 LEU 96 2.30 9 0.20 0.51 + +++ + *+ ++ VdW HA VAL 93 - CD2 LEU 96 2.60 10 0.23 0.69 +++++ * + +++ VdW O VAL 93 - CD2 LEU 96 2.90 11 0.38 0.87 + ++*+ ++ ++ ++ VdW O VAL 93 - HD22 LEU 96 2.30 8 0.20 0.69 + + * ++ ++ + VdW O LYS 95 - CD1 LEU 98 2.90 7 0.19 0.67 + ++*+ ++ VdW CD1 LEU 96 - C LEU 96 3.10 6 0.10 0.50 + ++ + * + VdW CD1 LEU 96 - N GLU 97 3.05 6 0.14 0.54 + +* ++ + VdW CD2 LEU 96 - N GLU 97 3.05 11 0.23 0.51 + +*++ ++ ++ ++ VdW CD2 LEU 96 - H GLU 97 2.55 6 0.13 0.42 + * + ++ + VdW HD21 LEU 96 - N GLU 97 2.45 6 0.10 0.30 + ++ + + * VdW CB GLU 97 - HB3 GLN 101 2.60 9 0.16 0.37 + *+ + + +++ + VdW HB3 GLU 97 - HB3 GLN 101 2.00 10 0.19 0.50 + +++++ + + +* VdW C GLU 97 - H GLN 101 2.45 9 0.18 0.31 * +++ + +++ + VdW O GLU 97 - C LEU 98 2.80 16 0.27 0.40 +++++*++++ ++ +++ + VdW O GLU 97 - N SER 99 2.75 6 0.15 0.43 ++ + ++ * VdW O GLU 97 - N LEU 100 2.75 12 0.24 0.53 + + +*++ + ++ +++ VdW O GLU 97 - N GLN 101 2.75 19 0.54 0.67 ++++*++++++++ ++++++ VdW O GLU 97 - H GLN 101 1.80 17 0.30 0.52 ++*+++++++ ++ ++ +++ VdW CA LEU 98 - CD2 LEU 98 3.00 11 0.15 0.27 + *+++++ + + ++ VdW CD1 LEU 98 - N SER 99 3.05 6 0.15 0.64 * ++++ + VdW CD1 LEU 98 - H SER 99 2.55 6 0.14 0.67 + +*++ + VdW O SER 99 - CG2 VAL 118 2.90 10 0.17 0.39 +++*++++ + + VdW HA LEU 100 - HB3 LEU 103 2.00 10 0.15 0.36 +++ + ++* + + + VdW HB2 LEU 100 - HG LEU 122 2.00 7 0.15 0.54 *+ + + + + + VdW CD1 LEU 100 - C LEU 100 3.10 6 0.13 0.35 * ++ + ++ VdW O LEU 100 - HB3 LEU 103 2.30 6 0.13 0.37 *+++ + + VdW HG3 GLN 101 - N GLU 102 2.45 12 0.23 0.43 ++ +++ ++*++ + + VdW HG3 GLN 101 - H GLU 102 1.95 9 0.13 0.32 +* + ++++ + + VdW O GLU 102 - N VAL 105 2.75 6 0.08 0.32 + ++ + * + VdW O GLU 102 - CG2 VAL 105 2.90 7 0.13 0.32 + + + *++ + VdW O GLU 102 - N SER 106 2.75 6 0.13 0.48 + ++ + + * VdW HA LEU 103 - CB SER 107 2.60 6 0.17 0.63 + ++ * + + VdW HA LEU 103 - HB3 SER 107 2.00 6 0.11 0.42 + ++ * + + VdW CB GLN 104 - HE21 GLN 104 2.55 8 0.12 0.33 + + + + + *+ + VdW CG GLN 104 - C GLN 104 2.90 9 0.10 0.24 * + + ++++++ VdW HG3 GLN 104 - C GLN 104 2.50 8 0.15 0.49 + + + ++* ++ VdW O SER 106 - CB SER 107 2.90 6 0.09 0.34 ++ + * ++ VdW HA VAL 112 - CD PRO 113 2.60 14 0.22 0.29 ++++* + ++++++ + + VdW CG1 VAL 112 - C VAL 112 2.90 6 0.11 0.33 + + + + + * VdW CG1 VAL 112 - HD2 PRO 113 2.60 6 0.12 0.37 + + + + + * VdW C PRO 113 - H THR 115 2.45 11 0.18 0.37 + +++ *++++ ++ VdW O PRO 113 - N THR 115 2.75 6 0.13 0.27 *++ + + + VdW HA ASN 116 - CD PRO 117 2.60 16 0.24 0.31 +++++++ +++++ *+ ++ VdW OD1 ASN 116 - HB VAL 118 2.30 8 0.20 0.60 ++ ++ + + * + VdW HD22 ASN 116 - HB VAL 118 1.95 6 0.12 0.36 *+ + + + + VdW HD22 ASN 116 - H LEU 119 1.90 6 0.10 0.44 + + * ++ + VdW O ASN 116 - CD1 LEU 119 2.90 6 0.11 0.52 + *+ ++ + VdW CG1 VAL 118 - HB3 LEU 122 2.60 15 0.35 0.65 ++ ++++++*+++ ++ + VdW HG11 VAL 118 - HB3 LEU 122 2.00 6 0.11 0.39 + + + * + + VdW HG12 VAL 118 - HB3 LEU 122 2.00 6 0.13 0.44 + *+ ++ + VdW O VAL 118 - C LEU 119 2.80 10 0.20 0.30 ++ +++ +*++ + VdW O VAL 118 - N ASN 120 2.75 6 0.11 0.25 + + +* + + VdW O VAL 118 - N ASN 121 2.75 9 0.18 0.42 * + ++ +++ + + VdW O LEU 119 - CB LEU 123 2.90 14 0.40 0.72 ++ ++++*+ ++ +++ + VdW O LEU 119 - HB2 LEU 123 2.30 13 0.37 0.89 ++ + +* + ++ +++ + + VdW O LEU 119 - HB3 LEU 123 2.30 8 0.17 0.71 + + + * ++ + + VdW O ASN 120 - HB2 SER 124 2.30 10 0.25 0.61 + + ++ +++ ++* VdW CD1 LEU 122 - N LEU 123 3.05 13 0.29 0.59 ++++ ++++ + + *+ + VdW CD2 LEU 122 - C LEU 122 3.10 12 0.26 0.53 ++*+ ++++ + ++ + VdW CD2 LEU 122 - O LEU 122 2.90 8 0.12 0.38 + + ++ * ++ + VdW HA LEU 123 - CD2 LEU 123 2.60 11 0.21 0.49 ++ + * + + ++ +++ VdW O LEU 123 - CG GLN 127 2.90 13 0.30 0.70 ++ *++ ++++++ ++ VdW O LEU 123 - HG2 GLN 127 2.30 9 0.29 0.83 + +++ * +++ + VdW O LEU 123 - HG3 GLN 127 2.30 9 0.22 0.84 + + + * + ++ + + VdW CG1 VAL 126 - N GLN 127 3.05 6 0.10 0.30 + * + + + + VdW CG GLU 128 - C GLU 128 2.90 6 0.09 0.24 + + ++* + VdW O ILE 129 - CG2 VAL 132 2.90 11 0.19 0.43 + ++ ++ + + +*+ + VdW O ILE 129 - CG1 VAL 133 2.90 6 0.13 0.30 + + + +* + VdW O ILE 129 - HG12 VAL 133 2.30 7 0.12 0.39 + + + +*++ VdW HA SER 130 - CG1 VAL 133 2.60 8 0.13 0.36 ++ + + *+++ VdW O SER 130 - CG GLN 134 2.90 6 0.12 0.29 + + * + + + VdW H VAL 132 - CG2 VAL 132 2.55 8 0.13 0.36 +++++ + *+ VdW N VAL 133 - CG1 VAL 133 2.85 6 0.15 0.24 + + * + ++ VdW H VAL 133 - CG1 VAL 133 2.55 14 0.24 0.44 + ++ ++++* ++++++ VdW CG2 VAL 133 - C VAL 133 2.90 13 0.23 0.32 + ++ +++* ++++++ VdW H GLN 134 - CG GLN 134 2.55 8 0.17 0.36 + + * + + + ++ VdW H GLN 134 - HG3 GLN 134 1.95 7 0.11 0.35 + +*+ + + + Angle PHI ALA 34 -77.80 -45.20 9 7.13 24.93 ++ *+ ++ ++ + Angle PSI ASP 35 -65.50 -6.20 6 3.70 13.39 + * ++++ Angle PHI LYS 36 -93.10 -50.30 13 8.10 21.32 + +*+++ + ++ ++++ Angle PHI SER 38 -154.10 -21.30 8 13.32 54.71 + + ++ +*++ Angle PSI LYS 39 -60.00 -24.70 10 5.94 18.49 ++ +++ + * + ++ Angle PSI GLU 44 -51.90 -27.30 12 5.82 12.66 + ++* +++++ ++ + Angle PHI ALA 46 -72.60 -48.10 9 4.70 17.72 ++ + * +++ + + Angle PSI ALA 46 -55.60 -29.80 9 4.66 16.03 + ++++ + ++ * Angle PHI SER 51 -76.00 -56.00 7 4.24 13.38 + *+ + + + + Angle PHI ALA 52 -73.90 -53.90 16 8.04 12.83 + +++++ ++ ++++*+++ Angle PSI PRO 56 126.00 162.00 17 10.83 17.66 +++++++++ + + +*++++ Angle PHI VAL 57 -140.60 -66.90 15 6.90 12.87 + +++++++ + *+++++ Angle PHI TYR 72 -74.90 -54.10 6 4.06 14.24 ++ ++* + Angle PSI SER 74 -52.80 -28.40 12 7.86 17.68 ++ +++ + +++ +*+ Angle PHI TYR 76 -73.60 -53.60 6 3.83 11.33 + + + * ++ Angle PHI CYS 79 -108.40 -67.40 20 15.33 24.74 +++++*++++++++++++++ Angle PSI CYS 79 -21.70 6.20 10 4.80 12.02 + ++ + +*+ + + + Angle PHI ARG 84 -74.70 -50.70 14 6.72 10.41 ++++*+++++ ++ ++ Angle PHI SER 94 -69.30 -49.30 6 3.33 11.76 ++ +++ * Angle PHI LYS 95 -81.40 -49.00 17 12.27 22.32 + ++++++*+ ++++++++ Angle PHI GLU 97 -72.50 -52.50 14 10.28 23.92 ++ ++++++*+ ++ ++ Angle PSI GLU 97 -51.20 -31.20 16 8.29 19.52 + +++++++*++ +++++ Angle PHI LEU 98 -77.30 -49.10 19 18.31 29.40 +++++*++++++++++++ + Angle PHI LEU 100 -78.10 -51.80 10 4.74 11.19 + ++ + + + ++* + Angle PHI GLU 102 -78.80 -50.40 17 10.50 21.74 ++++++++++++ ++ *+ + Angle PSI GLU 102 -54.00 -27.70 15 6.32 14.78 +++++++ + ++* +++ + Angle PHI GLN 104 -88.40 -47.00 6 3.44 16.02 ++ +* ++ Angle PSI GLN 104 -61.10 -11.60 7 6.21 37.51 ++ ++ *+ + Angle PHI VAL 105 -123.10 -44.60 8 8.67 34.29 ++ +++++ * Angle PSI VAL 105 -51.60 19.70 10 7.23 21.89 ++ + +* ++ + + + Angle PHI SER 106 -127.30 -63.20 12 7.91 22.60 ++ ++*+ ++++ + + Angle PSI SER 106 -43.50 17.30 8 5.15 20.37 + +++ * ++ + Angle PSI PRO 113 122.00 170.00 17 15.47 26.55 +++ +++++ ++*++++++ Angle PHI LEU 119 -75.10 -48.90 19 11.14 18.40 ++++++++*++++++++ ++ Angle PHI ASN 120 -81.40 -50.30 15 12.16 23.06 ++ ++++++ +*++++ + Angle PSI ASN 121 -56.70 -30.70 16 10.14 15.54 ++ ++++++ ++++*+ + + Angle PSI CYS 125 -50.20 -27.70 10 4.99 10.76 + ++++ ++ * ++ Angle PSI SER 130 -52.20 -27.80 12 5.15 9.76 + ++*+++ ++ + ++ Angle PHI ASP 131 -72.80 -52.80 16 8.29 16.83 ++ ++++++ ++*++++ + Angle PSI ASP 131 -55.50 -33.70 15 5.50 9.15 ++ * +++++++++++ + Angle PHI VAL 132 -73.70 -52.40 18 8.41 15.63 + ++++++++ ++*++++++ Angle PHI GLN 134 -120.20 -65.80 6 3.48 8.42 + + + + +* 19 violated distance restraints. 128 violated van der Waals restraints. 42 violated angle restraints. RMSDs for residues 36..131: Average backbone RMSD to mean : 1.91 +/- 0.45 A (1.42..3.09 A; 20 structures) Average heavy atom RMSD to mean : 2.08 +/- 0.38 A (1.66..3.08 A; 20 structures)