Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 33.79 61 49.3 1.12 26 29.0 0.39 19 305.2 29.83 2 35.59 62 51.7 1.08 24 29.1 0.57 19 311.3 31.04 3 35.82 70 53.8 1.14 23 28.6 0.57 23 330.4 20.22 4 36.02 73 55.1 1.20 25 29.3 0.61 23 307.7 20.32 5 36.34 74 53.5 1.15 23 31.0 0.60 27 310.4 18.38 6 38.89 74 53.3 1.06 34 33.0 0.62 31 363.4 21.51 7 39.42 76 56.0 1.02 32 31.8 0.50 22 281.0 24.22 8 40.15 76 55.8 0.96 34 30.6 0.49 30 385.8 20.82 9 40.36 70 56.5 1.34 32 33.6 0.43 24 320.0 19.11 10 40.57 76 54.9 1.20 33 33.5 0.83 26 375.1 24.72 11 40.60 68 56.5 1.35 31 30.9 0.52 23 338.6 27.31 12 40.89 77 61.5 1.14 32 31.5 0.50 18 280.2 13.90 13 40.99 71 56.1 1.40 30 30.0 0.58 21 279.2 13.78 14 41.19 64 55.3 1.48 35 33.5 0.45 19 287.1 24.95 15 41.53 76 56.0 1.21 29 33.9 0.68 26 343.8 19.50 16 41.63 80 56.0 1.42 23 29.7 0.49 23 379.2 35.24 17 41.71 85 60.2 1.24 32 33.4 0.62 30 366.2 24.51 18 42.37 75 57.0 1.19 32 30.5 0.52 32 418.3 30.85 19 43.05 71 51.6 1.22 25 28.2 0.49 31 462.0 53.78 20 43.28 70 55.6 1.00 33 31.6 0.78 24 360.9 29.29 Ave 39.71 72 55.3 1.20 29 31.1 0.56 25 340.3 25.16 +/- 2.67 6 2.7 0.14 4 1.8 0.11 4 47.7 8.61 Min 33.79 61 49.3 0.96 23 28.2 0.39 18 279.2 13.78 Max 43.28 85 61.5 1.48 35 33.9 0.83 32 462.0 53.78 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.30 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper QD1 LEU 74 - QD TYR 83 3.92 6 0.17 0.48 + +* + + + # peak 10 # SUP 2.00 Upper HA THR 38 - QG2 THR 39 3.74 9 0.26 0.63 + +++ ++ * + + # peak 29 # SUP 2.13 Upper HG3 LYS+ 44 - QG2 VAL 47 3.31 7 0.24 0.64 + + +++ * + # peak 74 # SUP 2.35 QG2 VAL 47 - QG2 ILE 48 # SUP 5.50 Upper QG2 VAL 73 - HN LEU 74 3.38 15 0.44 0.90 +++++++++ ++ +*++ # peak 96 # SUP 4.09 QG2 VAL 73 - HN LYS+ 113 # SUP 1.21 Upper QG2 VAL 62 - HN LYS+ 63 3.51 7 0.28 0.58 ++ + * ++ + # peak 100 # SUP 4.66 Upper QG1 VAL 47 - HE3 TRP 51 3.35 9 0.24 0.77 + ++ + + + * + + # peak 101 # SUP 2.13 Upper QG2 VAL 94 - HN THR 95 3.44 7 0.27 0.69 + ++ + ++ * # peak 159 # SUP 4.38 HN THR 95 - QG2 THR 96 # SUP 3.05 Upper QG2 THR 46 - HN VAL 47 2.86 11 0.32 0.68 * + +++ +++++ + # peak 165 # SUP 5.31 Upper HA LEU 43 - QD1 LEU 43 3.14 13 0.38 0.74 + ++++++++++ + * # peak 196 # SUP 4.49 Upper HN VAL 94 - QG1 VAL 94 3.35 20 0.37 0.39 +++++++++++++*++++++ # peak 289 # SUP 4.36 Upper HA VAL 13 - HN ASN 15 3.61 12 0.38 0.79 + *++ + +++++ + + # peak 366 # SUP 2.54 Upper HA PRO 59 - HN LYS+ 60 3.02 14 0.37 0.52 ++++++ +++++ +* + # peak 546 # SUP 2.92 Upper HA LYS+ 44 - HB VAL 47 3.88 6 0.16 0.43 +++ *+ + # peak 569 # SUP 2.27 HA LYS+ 44 - HG2 GLU- 45 # SUP 2.40 Upper HB2 GLN 16 - QB ALA 33 3.76 6 0.25 0.75 ++++ * + # peak 572 # SUP 1.48 Upper HN THR 39 - QB ALA 42 3.71 19 0.69 1.14 +++++++ +++*++++++++ # peak 698 # SUP 0.75 Upper QB ALA 42 - HB2 LEU 43 3.65 19 0.69 1.42 +++++ +++++++++*++++ # peak 708 # SUP 3.69 Upper HB3 ASP- 28 - QG2 ILE 29 3.62 20 0.64 0.93 ++++++*+++++++++++++ # peak 865 # SUP 3.86 Upper HA PRO 52 - HA ARG+ 53 3.45 20 0.55 0.66 ++*+++++++++++++++++ # peak 932 # SUP 1.60 HA LYS+ 63 - HA GLU- 64 # SUP 2.52 Upper HA GLU- 56 - HN ASN 57 3.00 7 0.17 0.54 ++++ + * + # peak 975 # SUP 1.70 Upper QD1 LEU 67 - HA GLU- 75 3.50 8 0.32 1.02 ++ + + * + + + # peak 1054 # SUP 1.68 HA GLU- 18 - QG2 VAL 87 # SUP 0.35 QD1 LEU 67 - HA ASN 76 # SUP 0.35 HA GLU- 18 - QG2 VAL 40 # SUP 0.26 Upper HN ILE 48 - QD1 ILE 48 3.53 7 0.19 0.63 + +++ *+ + # peak 1130 # SUP 6.70 HN VAL 47 - QD1 ILE 48 # SUP 3.66 Upper QD1 ILE 48 - QG2 THR 61 3.92 9 0.24 0.69 + +*+ ++ +++ # peak 1154 # SUP 2.99 Upper HA GLU- 54 - QD1 ILE 101 3.63 6 0.22 1.35 + *+++ + # peak 1268 # SUP 0.75 HB3 SER 49 - QD1 ILE 101 # SUP 0.02 HA SER 49 - QD1 ILE 101 # SUP 0.02 Upper HA1 GLY 30 - HA PRO 31 3.85 20 0.82 0.92 ++++*+++++++++++++++ # peak 1455 # SUP 3.51 Upper HB ILE 19 - HB THR 39 3.99 20 0.66 1.24 ++++++++++++++++*+++ # peak 1522 # SUP 1.40 Upper QG2 VAL 40 - HB2 LEU 43 3.67 10 0.28 1.20 + + ++* +++++ # peak 1706 # SUP 2.05 HB2 LEU 74 - QG2 VAL 125 # SUP 0.02 Upper HB2 LEU 43 - HG3 LYS+ 44 3.54 13 0.54 1.20 + + ++++++ ++ *++ # peak 1710 # SUP 2.79 QD1 ILE 68 - HB2 LEU 74 # SUP 2.82 HG3 LYS+ 66 - HB2 LEU 74 # SUP 1.16 QG1 VAL 40 - HB2 LEU 43 # SUP 0.61 Upper HE3 LYS+ 20 - HB2 PHE 21 3.84 10 0.31 0.80 + ++ +*+ +++ + # peak 1757 # SUP 2.70 Upper HB3 LYS+ 60 - QG2 THR 61 3.48 7 0.25 1.00 + + *+ +++ # peak 1919 # SUP 2.96 Upper HD3 LYS+ 60 - HB2 GLU- 75 3.28 12 0.46 1.48 + ++ +++ + * ++ ++ # peak 2055 # SUP 0.72 QG2 THR 24 - HB3 LYS+ 55 # SUP 0.02 Upper HN VAL 73 - HB VAL 73 3.22 10 0.20 0.47 + + + + ++ + *++ # peak 2102 # SUP 3.29 Upper HB3 LEU 67 - HB3 GLU- 75 3.88 10 0.32 1.04 ++ ++ + *++++ # peak 2116 # SUP 3.05 HG3 LYS+ 60 - HB3 GLU- 75 # SUP 0.95 Upper HB3 GLN 16 - HB2 LEU 17 2.66 20 0.49 0.69 +++++++++++++++++*++ # peak 2146 # SUP 3.30 Upper HB3 GLU- 75 - HG2 PRO 112 2.92 6 0.19 1.19 ++ + + + * # peak 2159 # SUP 2.46 Upper HB2 GLU- 45 - HB2 GLU- 50 2.99 14 0.51 1.05 +++++++ +++ + *+ + # peak 2325 # SUP 1.98 HB3 GLU- 45 - HB2 GLU- 50 # SUP 2.67 Upper HA LYS+ 60 - HD3 LYS+ 60 3.39 7 0.20 0.53 + + * + + + + # peak 2445 # SUP 3.76 Upper HG3 PRO 59 - HD3 LYS+ 60 3.31 6 0.20 0.62 + + + * + + # peak 2477 # SUP 2.80 Upper QD2 LEU 67 - QD1 LEU 74 3.88 6 0.28 1.29 + ++ * ++ # peak 2531 # SUP 3.09 Upper HN ARG+ 53 - HG3 ARG+ 53 3.56 11 0.34 0.77 ++++ + +* ++++ # peak 2588 # SUP 4.51 Upper HG LEU 17 - HA ASP- 36 3.76 7 0.24 0.61 + ++ + ++ * # peak 2617 # SUP 1.50 Upper HA LEU 67 - QD1 LEU 67 3.27 8 0.26 0.68 + ++ +* + ++ # peak 2655 # SUP 6.71 Upper QD1 LEU 67 - HB ILE 68 3.21 20 0.76 1.07 ++++++++*+++++++++++ # peak 2675 # SUP 4.53 QD1 LEU 67 - HB VAL 122 # SUP 0.70 Upper QG2 VAL 40 - HG LEU 43 3.40 6 0.26 0.93 + + + * + + # peak 2682 # SUP 3.68 HG LEU 43 - QG1 VAL 47 # SUP 0.55 Upper HD3 PRO 59 - HG3 LYS+ 60 3.40 10 0.29 0.54 ++ + ++ ++ +* + # peak 2718 # SUP 2.02 HA PRO 59 - HG3 LYS+ 60 # SUP 2.91 HG3 LYS+ 60 - HA GLU- 75 # SUP 0.75 HG3 LYS+ 113 - HA VAL 122 # SUP 0.40 Upper HG3 PRO 59 - HG3 LYS+ 60 2.53 10 0.31 0.66 ++++ + *++ + + # peak 2776 # SUP 3.30 Upper HB2 LEU 67 - QD2 LEU 74 4.31 6 0.19 0.64 + *++ ++ # peak 3324 # SUP 2.38 Upper HB VAL 73 - HN VAL 122 4.04 6 0.18 0.64 + *+++ + # peak 3341 # SUP 1.42 HB2 GLU- 75 - HN VAL 122 # SUP 1.51 HB2 GLU- 75 - HN CYS 121 # SUP 0.88 HB VAL 73 - HN CYS 121 # SUP 0.99 Upper HE3 LYS+ 20 - QD2 LEU 23 4.39 8 0.25 0.57 ++ ++ *+ ++ # peak 3393 # SUP 0.43 Upper QD2 LEU 23 - HZ2 TRP 51 4.14 6 0.15 0.45 + ++ + *+ # peak 3399 # SUP 3.52 Upper HZ2 TRP 51 - HG3 ARG+ 53 4.11 7 0.25 1.40 ++ +*+ ++ # peak 3494 # SUP 0.99 Upper HG LEU 17 - HN GLU- 18 4.31 7 0.19 0.54 * ++ + + ++ # peak 3499 # SUP 7.26 Upper HN LEU 17 - HG LEU 17 4.28 9 0.20 0.57 +* ++ + ++ ++ # peak 3500 # SUP 6.94 HG LEU 17 - HN ILE 19 # SUP 0.87 Upper HA ILE 101 - HB3 GLN 102 4.17 12 0.35 0.57 +*++ + ++ +++ ++ # peak 3513 # SUP 3.27 Upper HA ASN 15 - HB2 GLU- 18 4.26 17 0.41 0.70 +++ +++++*+++ +++++ # peak 3517 # SUP 1.71 HB2 GLU- 18 - HB THR 39 # SUP 0.50 Upper HB3 GLN 102 - HN ALA 103 3.50 17 0.38 0.49 + +++ *+ +++++++++++ # peak 3532 # SUP 2.82 Upper HA GLU- 45 - HB2 GLU- 50 4.60 6 0.17 0.68 + + + ++ * # peak 3562 # SUP 3.04 Upper HA LYS+ 78 - HB3 ASP- 82 4.24 8 0.29 0.55 * + + + + +++ # peak 3722 # SUP 1.50 Upper HB3 LYS+ 20 - HD3 PRO 31 3.98 15 0.41 0.70 ++ + ++++++ +*++++ # peak 3768 # SUP 1.45 Upper HN GLU- 54 - QD1 ILE 101 4.13 11 0.32 0.82 ++++ ++ + + + +* # peak 3779 # SUP 0.75 Upper HD2 PRO 59 - QD1 ILE 100 4.26 10 0.31 0.98 + + + ++ * + + ++ # peak 3783 # SUP 1.01 Upper HN VAL 99 - QD1 ILE 100 4.62 17 0.56 0.76 ++++++++++ + + +++*+ # peak 3785 # SUP 4.04 QD1 ILE 100 - HN ALA 103 # SUP 0.02 Upper QD1 ILE 19 - HB3 PRO 35 4.61 6 0.18 0.48 + + + ++* # peak 3794 # SUP 0.99 QD1 ILE 68 - HG3 GLU- 75 # SUP 1.05 Upper HE3 LYS+ 20 - QD1 ILE 29 4.32 13 0.35 0.71 +++++ ++ + +* + ++ # peak 3800 # SUP 1.26 Upper HB2 PHE 34 - QD1 LEU 43 4.69 18 0.52 0.85 ++++*+ +++++++++ +++ # peak 3831 # SUP 1.58 HE2 LYS+ 20 - QD1 LEU 43 # SUP 0.80 Upper QG2 THR 38 - HN ALA 42 4.43 8 0.29 0.61 + + ++ * + ++ # peak 3838 # SUP 2.52 HN ALA 42 - HD3 LYS+ 44 # SUP 1.38 HN ALA 37 - QG2 THR 38 # SUP 2.28 Upper QG2 THR 46 - HN GLU- 50 4.09 16 0.45 0.88 ++++++*+++++ +++ + # peak 3839 # SUP 0.92 Upper HB2 LEU 43 - QG2 VAL 47 3.85 12 0.33 0.86 ++ + *+ + ++++ ++ # peak 3866 # SUP 0.79 Upper HB3 PHE 34 - QG2 THR 38 4.39 12 0.42 0.72 ++++ ++ ++ +*++ # peak 3879 # SUP 1.40 Upper HE3 LYS+ 20 - QD PHE 21 3.93 9 0.33 0.77 *++++ ++ + + # peak 300 # SUP 0.02 QD PHE 21 - HA1 GLY 58 # SUP 0.02 Upper HZ2 TRP 51 - HB3 LYS+ 55 4.63 15 0.45 0.91 +++++++ ++ ++ +*+ + # peak 527 # SUP 0.75 Upper HA TRP 51 - HE3 TRP 51 4.39 18 0.60 0.80 +++++++++++++++*+ + # peak 532 # SUP 4.26 Upper QD TYR 83 - HG3 ARG+ 84 4.21 7 0.19 0.38 + + *+ + + + # peak 551 # SUP 3.13 HB3 LYS+ 81 - QD TYR 83 # SUP 1.27 Upper HA SER 69 - HN LEU 74 4.73 20 0.72 1.22 ++++++++++++++++++*+ # peak 37 # SUP 0.02 HN LEU 74 - HA MET 97 # SUP 0.02 HN LEU 74 - HA HIS+ 98 # SUP 0.02 HN LEU 74 - HA ILE 101 # SUP 0.02 Upper QB ALA 11 - HN ALA 91 3.41 6 0.22 0.41 + ++ *+ + # peak 154 # SUP 1.05 HB3 LEU 17 - HN ALA 91 # SUP 0.48 Upper HA ASN 15 - HN LEU 17 3.94 13 0.39 0.83 +++++++++ + *+ + # peak 161 # SUP 3.12 HA ASN 15 - HN ILE 19 # SUP 1.19 HN ILE 19 - HB THR 39 # SUP 1.28 Upper HN TRP 51 - HE3 TRP 51 4.63 7 0.37 0.94 + + ++ * + + # peak 175 # SUP 4.17 Upper HN THR 96 - HB3 MET 97 4.92 9 0.30 0.44 * + + +++++ + # peak 191 # SUP 2.86 HB3 ARG+ 22 - HN THR 96 # SUP 0.08 Upper HN ILE 19 - HB3 LYS+ 32 4.32 12 0.32 0.57 + *+ + ++ +++++ + # peak 214 # SUP 1.33 HN ILE 19 - HD3 LYS+ 32 # SUP 1.46 Upper HN GLU- 56 - HA1 GLY 58 4.26 10 0.33 1.12 * ++ + +++ ++ + # peak 228 # SUP 1.12 Upper HN LEU 67 - HB2 LEU 74 4.32 6 0.22 0.80 + + + *+ + # peak 275 # SUP 1.44 Upper HN LYS+ 78 - HG3 LYS+ 78 4.13 14 0.34 0.60 +++ +*+ + +++++ + + # peak 301 # SUP 3.34 Upper HB2 LEU 74 - HN VAL 122 4.40 6 0.14 0.42 ++ + * + + # peak 366 # SUP 2.39 HB2 LEU 74 - HN CYS 121 # SUP 2.16 Upper HN VAL 122 - QG2 VAL 125 4.38 6 0.26 0.39 + ++ * + + # peak 372 # SUP 0.39 HN CYS 121 - QG2 VAL 125 # SUP 0.63 Upper HG3 ARG+ 53 - HN LYS+ 55 3.68 7 0.26 1.34 + ++* + + + # peak 413 # SUP 1.43 Upper HN LYS+ 55 - HA1 GLY 58 4.48 17 0.55 0.87 +++++++*++ + ++++++ # peak 418 # SUP 0.75 Upper HA LYS+ 20 - HN LYS+ 32 4.40 10 0.29 0.53 +*+ ++ ++ + + + # peak 530 # SUP 1.04 HA2 GLY 30 - HN LYS+ 32 # SUP 2.03 Upper HN VAL 99 - HA ILE 100 4.19 17 0.46 0.78 +++++++++ + + ++++*+ # peak 552 # SUP 4.54 HB THR 24 - HN VAL 99 # SUP 0.33 Upper HB3 LYS+ 20 - HN VAL 94 4.71 19 0.52 0.79 +++++++*+++++ ++++++ # peak 559 # SUP 0.75 HB3 LEU 17 - HN VAL 94 # SUP 1.20 HD3 LYS+ 20 - HN VAL 94 # SUP 0.75 Upper HN HIS+ 14 - HA ASN 15 4.30 10 0.35 0.70 + ++++ *+++ + # peak 642 # SUP 1.22 Upper HB ILE 48 - HN GLU- 50 3.95 9 0.30 1.21 ++ + + *+ +++ # peak 727 # SUP 1.07 Upper HN GLU- 64 - HN VAL 65 3.76 6 0.21 0.58 + + + *++ # peak 744 # SUP 3.25 Upper QG2 VAL 40 - HN LYS+ 44 4.51 6 0.22 0.63 + +* + + + # peak 781 # SUP 2.27 HN LYS+ 44 - QG1 VAL 47 # SUP 0.20 Upper HN LYS+ 60 - HN THR 61 3.58 16 0.52 0.76 + +++++++++++ ++ * + # peak 786 # SUP 4.00 Upper HN ALA 37 - HA THR 38 5.21 9 0.26 0.58 + * + + ++ +++ # peak 841 # SUP 1.46 Upper HB3 PRO 52 - HN GLU- 54 3.94 8 0.31 0.93 + + ++ * + + + # peak 854 # SUP 2.24 HN GLU- 54 - HG3 GLU- 56 # SUP 0.34 HN GLU- 54 - HA1 GLY 58 # SUP 0.75 HN GLU- 54 - HG2 GLU- 56 # SUP 0.69 Upper HN SER 41 - HA ALA 42 4.29 20 0.69 0.83 +*++++++++++++++++++ # peak 934 # SUP 2.31 Upper HE1 TRP 51 - HN GLY 58 4.65 12 0.40 1.02 ++++ + + +* +++ + # peak 1066 # SUP 1.25 Upper HD3 PRO 31 - HN LYS+ 32 4.77 20 0.36 0.49 *+++++++++++++++++++ # peak 1102 # SUP 1.87 HA1 GLY 30 - HN LYS+ 32 # SUP 2.88 Upper HE1 TRP 51 - HG3 LYS+ 55 4.88 6 0.22 0.88 + + *+ ++ # peak 1118 # SUP 0.75 HE1 TRP 51 - HG2 PRO 59 # SUP 1.12 Angle PHI ILE 19 239.00 273.00 9 4.22 9.49 + ++ + ++*+ + Angle PSI PHE 21 106.00 132.00 7 3.65 15.43 + * + ++ + + Angle PHI ARG+ 22 225.00 267.00 10 5.44 15.47 * ++++ ++ + ++ Angle PSI ASP- 28 127.00 157.00 6 2.86 8.19 + ++ * ++ Angle PHI ILE 29 214.00 268.00 7 3.79 9.26 + + + * + ++ Angle PSI ILE 29 109.00 149.00 6 5.41 17.18 + *+ ++ + Angle PSI PRO 31 128.00 150.00 9 4.40 10.57 ++++ + *++ + Angle PHI VAL 40 282.00 302.00 17 7.85 13.41 ++ ++++++ +*++++ +++ Angle PHI SER 41 281.00 301.00 9 4.65 20.82 + + ++ * + + ++ Angle PHI ALA 42 282.00 302.00 18 8.29 12.70 ++++ ++++*++++++++ + Angle PSI ALA 42 314.00 334.00 8 3.45 9.80 + + ++ + * + + Angle PHI LEU 43 283.00 303.00 7 3.19 9.36 ++ + + + +* Angle PSI LEU 43 314.00 338.00 7 2.91 10.71 *+ + + ++ + Angle PHI LYS+ 44 263.00 301.00 6 3.04 11.53 + + + ++ * Angle PHI GLU- 45 283.00 303.00 14 6.62 18.51 ++ + ++ + ++++ + ++* Angle PSI THR 46 307.00 333.00 9 5.15 14.51 +++ + + + + *+ Angle PHI VAL 47 286.00 306.00 6 3.59 13.26 + + + +*+ Angle PSI VAL 47 304.00 324.00 16 8.84 13.83 +++*++++++ + ++ +++ Angle PHI ILE 48 291.00 311.00 9 6.08 19.50 + ++ + *+ +++ Angle PSI ILE 48 308.00 328.00 12 6.55 25.10 +++ +++ + ++++* Angle PSI TRP 51 110.00 138.00 13 11.03 27.31 ++++++ +* +++++ Angle PHI ARG+ 53 285.00 305.00 9 4.90 15.51 + ++ * + +++ + Angle PSI ARG+ 53 314.00 334.00 19 20.13 53.78 ++++++++++++ +++++*+ Angle PHI GLU- 54 256.00 286.00 19 19.24 47.83 ++++++++++ +++++++*+ Angle PSI GLU- 54 331.00 13.00 10 6.27 17.57 + + +* + ++ + ++ Angle PHI THR 61 232.00 276.00 8 4.38 9.93 + ++ ++ +*+ Angle PSI THR 61 147.00 175.00 7 3.58 9.63 +++ * + + + Angle PSI SER 69 110.00 134.00 10 6.49 15.41 + + ++ ++*+ ++ Angle PHI LYS+ 72 235.00 261.00 10 5.38 10.25 + + ++ ++*+ ++ Angle PHI VAL 99 242.00 268.00 15 6.80 13.69 + ++++ +++*++ +++ + Angle PSI ILE 100 113.00 143.00 8 5.01 17.19 + +++ + +*+ Angle PSI GLN 102 122.00 152.00 7 4.28 6.99 + + * ++ ++ Angle PSI VAL 122 114.00 166.00 6 2.87 7.17 ++ + + + * Angle PHI CYS 123 246.00 304.00 13 5.48 9.15 ++ + +++ + ++++ * + Angle PSI CYS 123 92.00 140.00 19 7.39 11.04 ++++++++++++ +++*+++ Angle PHI SER 124 248.00 298.00 20 10.47 14.48 ++++*+++++++++++++++ 99 violated distance constraints. 36 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 2.22 +/- 1.00 A (1.43..5.07 A) Average heavy atom RMSD to mean : 2.75 +/- 0.94 A (2.13..5.42 A)