Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 12.71 54 16.4 0.86 9 13.3 0.32 21 296.7 16.77 2 13.68 62 18.2 0.76 9 16.1 0.36 22 297.5 17.43 3 13.96 70 19.8 0.77 7 17.5 0.36 23 303.9 17.48 4 19.22 75 23.1 0.90 15 19.9 0.31 29 381.0 23.09 5 19.23 63 21.1 1.08 14 17.2 0.38 38 451.4 17.96 6 19.90 73 26.2 0.95 15 18.7 0.35 24 346.7 18.45 7 20.61 70 25.9 0.78 15 19.6 0.40 24 327.0 19.68 8 21.40 73 25.2 1.32 23 20.7 0.48 23 322.1 17.29 9 22.99 72 25.1 1.03 13 22.7 0.49 32 399.5 19.04 10 23.11 66 23.6 1.09 19 21.0 0.35 34 418.5 20.47 11 23.12 77 25.6 0.93 22 21.8 0.52 35 412.4 22.05 12 23.74 70 24.6 1.25 14 22.9 0.42 30 419.3 22.25 13 23.97 82 28.9 1.03 19 22.2 0.41 28 378.4 24.39 14 25.04 74 26.1 0.80 24 26.7 0.42 36 450.4 22.15 15 25.37 70 27.3 1.32 19 23.4 0.40 29 377.3 23.31 16 25.38 82 29.1 1.07 13 21.7 0.36 29 397.1 23.78 17 25.68 76 28.7 1.25 20 22.6 0.42 36 426.8 19.13 18 26.07 66 24.3 1.17 26 26.9 0.51 26 372.3 22.78 19 27.17 79 27.0 1.08 18 26.0 0.48 42 533.8 19.43 20 27.51 67 24.7 1.42 12 20.3 0.55 33 474.8 27.17 Ave 21.99 71 24.6 1.04 16 21.1 0.41 30 389.3 20.70 +/- 4.31 7 3.3 0.20 5 3.4 0.07 6 61.1 2.80 Min 12.71 54 16.4 0.76 7 13.3 0.31 21 296.7 16.77 Max 27.51 82 29.1 1.42 26 26.9 0.55 42 533.8 27.17 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HB3 LYS+ 72 - QD1 LEU 74 5.41 6 0.06 0.27 + + ++ * + # peak 47 # SUP 1.29 QD1 LEU 74 - HB3 ARG+ 84 # SUP 0.67 Upper HA VAL 73 - HG LEU 74 4.24 9 0.17 0.49 * + + + + ++++ # peak 425 # SUP 3.48 QD1 ILE 68 - HA VAL 73 # SUP 1.86 Upper HB2 LEU 17 - QB ALA 33 4.29 6 0.05 0.22 *+ ++ + + # peak 575 # SUP 2.47 Upper HD3 LYS+ 20 - QG2 ILE 100 4.44 17 0.24 0.54 ++ +*++++++++++ +++ # peak 786 # SUP 1.40 HB2 LYS+ 20 - QG2 ILE 100 # SUP 2.13 Upper QG2 ILE 101 - QB ALA 103 4.41 11 0.11 0.32 + +++ + ++ + +*+ # peak 789 # SUP 1.09 HB2 LYS+ 55 - QG2 ILE 101 # SUP 0.24 Upper QG2 ILE 29 - HB3 GLU- 50 5.00 16 0.32 0.85 +++ +++++++++++ * + # peak 905 # SUP 0.64 HG12 ILE 29 - HB3 GLU- 50 # SUP 1.61 Upper HA ARG+ 53 - HB3 GLU- 54 4.19 15 0.53 1.32 +++++ ++ +++* ++++ # peak 938 # SUP 0.02 HA ARG+ 53 - HB3 GLN 102 # SUP 0.02 HA ARG+ 53 - HB3 GLU- 56 # SUP 0.02 Upper HA LEU 43 - HB ILE 68 5.32 11 0.17 0.51 ++++ + *++++ + # peak 941 # SUP 2.37 Upper QG2 ILE 48 - HB3 LEU 67 4.73 11 0.31 1.07 ++ ++++ +*+ ++ # peak 955 # SUP 2.83 Upper QD1 ILE 29 - HE3 TRP 51 5.28 9 0.14 0.64 +++ +++ ++ * # peak 977 # SUP 2.49 Upper HA SER 85 - HB2 PRO 86 4.14 20 0.51 0.54 ++++++++++++*+++++++ # peak 991 # SUP 4.50 HA SER 85 - HB3 PRO 86 # SUP 4.88 Upper QD1 ILE 29 - HB3 GLU- 50 5.08 6 0.08 0.42 + + + + * + # peak 995 # SUP 3.39 Upper HA SER 85 - HA PRO 86 3.77 13 0.33 0.64 +++++ +*++++ ++ # peak 1014 # SUP 2.23 HA LYS+ 66 - HA GLU- 75 # SUP 0.25 Upper QD1 ILE 19 - QE PHE 34 4.61 15 0.43 0.96 ++++ +++ +++++++* # peak 1108 # SUP 1.68 QD1 ILE 19 - HZ PHE 34 # SUP 1.55 Upper QD1 ILE 19 - HB3 MET 97 3.77 11 0.17 0.56 * +++++ +++ ++ # peak 1114 # SUP 3.27 Upper QD1 ILE 48 - HB3 SER 77 4.41 10 0.10 0.35 +* ++ + ++ +++ # peak 1145 # SUP 2.25 Upper HG LEU 17 - HA LEU 90 3.99 9 0.12 0.85 + + ++ + * + ++ # peak 1152 # SUP 3.62 HB3 LEU 17 - HA LEU 90 # SUP 4.71 Upper QD1 ILE 101 - HA GLN 102 4.65 10 0.17 0.78 +++ ++ + + * + + # peak 1262 # SUP 3.65 Upper HB2 LEU 17 - HB3 GLU- 18 4.08 20 0.54 1.07 +++++++++*++++++++++ # peak 1396 # SUP 4.89 Upper HB ILE 19 - HG3 MET 97 3.80 15 0.21 0.74 +++ + +*+++++++ ++ # peak 1488 # SUP 1.06 HB ILE 19 - HB2 HIS+ 98 # SUP 1.70 Upper HB ILE 19 - QE PHE 34 4.82 12 0.22 0.62 ++++ *+ ++++ + + # peak 1514 # SUP 1.87 HB ILE 19 - HZ PHE 34 # SUP 1.31 HB3 LEU 23 - HZ2 TRP 51 # SUP 1.50 Upper HE2 LYS+ 20 - HG13 ILE 100 5.21 8 0.16 0.58 + ++ * ++++ # peak 1665 # SUP 2.09 Upper HB2 LEU 43 - HB2 LEU 67 5.47 10 0.15 0.59 ++ + + ++ + ++* # peak 1697 # SUP 0.61 HB3 LEU 43 - HB2 LEU 67 # SUP 1.36 Upper HE3 LYS+ 20 - QD1 ILE 68 5.17 19 0.50 0.90 ++++++++++++ ++++++* # peak 1708 # SUP 0.70 Upper HB3 LYS+ 20 - HA2 GLY 30 5.20 8 0.18 0.63 + + +* + ++ + # peak 1829 # SUP 1.80 HB2 LYS+ 20 - HA2 GLY 30 # SUP 1.25 Upper HB3 LYS+ 20 - HG13 ILE 100 4.54 13 0.25 0.68 + +++ +++ ++++* + # peak 1846 # SUP 3.10 HB2 LYS+ 20 - HG13 ILE 100 # SUP 3.02 Upper QG2 THR 61 - HB2 LYS+ 66 4.83 8 0.12 0.63 + ++ *+++ + # peak 1919 # SUP 0.47 HB3 LYS+ 72 - QG2 THR 95 # SUP 1.84 Upper HB2 LYS+ 44 - HB2 LEU 67 4.66 7 0.12 0.53 + ++ + * ++ # peak 1992 # SUP 0.98 Upper HG LEU 43 - HB2 LYS+ 44 4.97 14 0.21 0.61 ++ ++++++++ +* ++ # peak 2020 # SUP 0.70 Upper HA ASN 57 - HB2 PRO 104 4.65 12 0.17 0.41 + ++++++++ *+ + # peak 2067 # SUP 0.75 HA TRP 51 - HB2 PRO 104 # SUP 0.42 Upper HB3 GLU- 18 - HN ALA 33 5.36 11 0.17 0.59 ++++ *++++ ++ # peak 2138 # SUP 0.75 Upper HA ILE 101 - HB3 GLN 102 4.35 7 0.06 0.23 +++++ *+ # peak 2157 # SUP 1.63 HB3 GLN 102 - HA ALA 103 # SUP 1.72 Upper HA GLU- 54 - HB3 GLN 102 3.98 17 0.34 0.80 ++++*+ ++++++++ +++ # peak 2181 # SUP 2.40 Upper HG3 GLU- 45 - HB2 GLU- 50 5.09 6 0.09 0.45 *++ +++ # peak 2315 # SUP 2.62 HG2 GLU- 45 - HB2 GLU- 50 # SUP 2.23 Upper HB3 GLU- 45 - HB2 GLU- 50 4.15 18 0.25 0.48 ++++++++ +++++++*++ # peak 2325 # SUP 3.15 HB2 GLU- 45 - HB2 GLU- 50 # SUP 2.11 Upper HB2 LEU 67 - HG12 ILE 68 5.10 8 0.17 1.25 + + + ++ +*+ # peak 2466 # SUP 2.51 HB2 LEU 67 - HG13 ILE 68 # SUP 3.41 HG13 ILE 68 - HB3 MET 97 # SUP 0.55 Upper HG13 ILE 19 - HA ILE 68 5.46 6 0.11 0.64 + +* ++ + # peak 2485 # SUP 1.78 Upper QG2 VAL 94 - HB THR 96 4.43 10 0.27 1.08 +*+ + +++++ + # peak 2501 # SUP 1.98 QD1 ILE 19 - HB THR 96 # SUP 0.88 Upper HB THR 96 - HA MET 97 5.49 11 0.17 0.40 ++ *++ ++ ++ + + # peak 2508 # SUP 0.69 Upper QD2 LEU 74 - HB3 GLU- 75 4.62 6 0.11 0.80 + + + ++ * # peak 2674 # SUP 3.39 Upper HB3 LEU 67 - QD2 LEU 74 4.64 9 0.09 0.32 + *+ ++ +++ + # peak 2677 # SUP 4.11 Upper HG2 LYS+ 20 - HG13 ILE 100 3.03 14 0.19 0.61 *+++ + ++++++++ + # peak 2783 # SUP 2.92 Upper QG1 VAL 99 - QG2 ILE 101 4.12 12 0.21 0.55 ++ +++ *+ ++ ++ + # peak 3020 # SUP 1.04 QD1 ILE 68 - QG1 VAL 99 # SUP 0.30 Upper QG1 VAL 99 - QD1 ILE 101 4.20 6 0.07 0.30 + ++ + * + # peak 3024 # SUP 1.63 QD1 LEU 23 - QG1 VAL 99 # SUP 0.45 Upper HB2 HIS+ 98 - QD1 ILE 100 5.50 8 0.19 0.84 +++ * + + + + # peak 3310 # SUP 1.73 Upper HD3 LYS+ 20 - HB3 ASP- 28 5.50 6 0.09 0.41 ++ + + +* # peak 3329 # SUP 1.63 HB2 LYS+ 20 - HB3 ASP- 28 # SUP 0.73 HB3 LYS+ 20 - HB3 ASP- 28 # SUP 1.01 Upper HG13 ILE 48 - HB3 LEU 67 4.53 8 0.14 0.75 ++ *+ ++ ++ # peak 3346 # SUP 1.98 HG12 ILE 48 - HB3 LEU 67 # SUP 2.25 HG12 ILE 48 - HB3 LYS+ 60 # SUP 0.77 HG13 ILE 48 - HB3 LYS+ 60 # SUP 0.94 Upper QD2 LEU 23 - HZ2 TRP 51 5.50 7 0.11 0.43 * + + + ++ + # peak 3399 # SUP 3.11 Upper HG2 PRO 31 - HA ILE 68 5.50 9 0.14 0.53 + + +++ ++ *+ # peak 3432 # SUP 0.75 Upper HG3 PRO 31 - HA ILE 68 5.50 7 0.13 0.42 + *+ ++ + + # peak 3433 # SUP 0.75 Upper QG2 VAL 99 - HG12 ILE 100 4.76 13 0.21 0.89 +++++ +++ ++*+ + # peak 3472 # SUP 1.76 Upper HB2 GLU- 45 - HB3 SER 77 5.33 19 0.55 1.25 ++++++++++*++++++++ # peak 3560 # SUP 1.62 HB3 GLU- 45 - HB3 SER 77 # SUP 1.05 Upper HG3 GLU- 45 - HB3 SER 77 5.50 14 0.18 0.52 + +++ + ++*++++ ++ # peak 3645 # SUP 1.06 HG2 GLU- 45 - HB3 SER 77 # SUP 1.67 Upper HG2 GLU- 18 - HA ALA 33 5.50 6 0.13 1.42 + ++ + + * # peak 3652 # SUP 0.02 HG2 GLU- 18 - HA HIS+ 98 # SUP 0.02 Upper QD1 ILE 19 - HE2 LYS+ 20 5.50 8 0.09 0.45 + ++++ + *+ # peak 3793 # SUP 2.12 Upper HB2 LEU 67 - QD1 ILE 68 3.97 8 0.17 1.07 + +++++ *+ # peak 3797 # SUP 4.12 QD1 ILE 68 - HB3 MET 97 # SUP 1.62 Upper QD1 ILE 29 - HB2 GLU- 50 5.50 11 0.22 0.53 +++ + +++++* + # peak 3798 # SUP 1.56 Upper HB3 ASP- 28 - QD1 ILE 29 4.66 10 0.16 0.61 ++++++ + + *+ # peak 3799 # SUP 3.82 Upper QD PHE 21 - QD1 ILE 29 5.50 6 0.08 0.32 + * +++ + # peak 3802 # SUP 2.89 Upper HB2 GLU- 18 - QG1 VAL 94 4.12 10 0.18 0.61 ++ +* ++ ++ ++ # peak 3849 # SUP 2.02 HG2 PRO 86 - QG1 VAL 94 # SUP 0.69 Upper HB2 LEU 17 - QG2 VAL 94 4.33 12 0.26 1.09 +++ +++* + + +++ # peak 3853 # SUP 2.11 HG13 ILE 19 - QG2 VAL 94 # SUP 0.79 Upper HA SER 85 - QG2 VAL 94 4.62 9 0.11 0.39 +++ + + ++*+ # peak 3858 # SUP 0.73 HA LEU 90 - QG2 VAL 94 # SUP 0.90 Upper QD1 ILE 19 - QE PHE 34 5.50 11 0.16 0.56 +++ *+ +++ +++ # peak 318 # SUP 1.68 HG12 ILE 19 - QE PHE 34 # SUP 2.07 Upper HD1 TRP 51 - HB3 ARG+ 53 5.50 7 0.11 0.59 *+ ++++ + # peak 342 # SUP 1.27 Upper HD1 TRP 51 - HD2 PRO 52 5.50 6 0.10 0.47 ++++ * + # peak 525 # SUP 3.07 Upper HA TYR 83 - QE TYR 83 5.50 8 0.06 0.22 + +* + ++ + + # peak 547 # SUP 2.16 Upper QE PHE 21 - HB2 LEU 67 5.50 8 0.18 1.17 ++++++ +* # peak 571 # SUP 1.37 QE PHE 21 - HB3 MET 97 # SUP 0.63 QE PHE 21 - HB3 ARG+ 22 # SUP 1.63 Upper HN LYS+ 66 - HB2 LEU 67 4.95 10 0.21 0.90 ++ + + ++ +*+ + # peak 25 # SUP 0.02 HG LEU 23 - HN LYS+ 66 # SUP 0.02 Upper HN MET 97 - HA HIS+ 98 4.68 19 0.32 1.07 ++++++++++++++++++ * # peak 71 # SUP 1.57 Upper HN LYS+ 20 - HN MET 97 5.43 7 0.18 1.03 + ++++ * + # peak 73 # SUP 2.55 Upper HN LYS+ 20 - HA MET 97 4.32 10 0.29 1.08 ++ ++ ++ ++ + * # peak 128 # SUP 1.27 Upper HN ARG+ 22 - QG2 ILE 29 5.20 7 0.10 0.45 +* + + +++ # peak 135 # SUP 3.23 HN ARG+ 22 - QG2 VAL 99 # SUP 2.18 HN ARG+ 22 - HG12 ILE 29 # SUP 3.08 Upper HN ARG+ 22 - HN VAL 99 5.50 12 0.34 1.32 ++ +*+++ + +++ + # peak 138 # SUP 1.44 HN ARG+ 22 - HN ASP- 28 # SUP 0.58 Upper HN LEU 17 - HB2 GLU- 18 4.90 15 0.34 1.03 +++++ ++*++ ++++ + # peak 168 # SUP 4.27 HB2 GLU- 18 - HN THR 96 # SUP 0.18 Upper HN TRP 51 - HD2 PRO 52 4.15 13 0.28 0.61 + *+++++ + +++ ++ # peak 170 # SUP 3.07 Upper HN LEU 17 - HG2 GLU- 18 4.99 10 0.11 0.40 + ++++ * + + ++ # peak 211 # SUP 4.57 Upper HB3 ARG+ 53 - HN LYS+ 55 4.31 15 0.17 0.33 ++++ +++ +*++ ++++ # peak 413 # SUP 1.86 Upper HB3 LEU 17 - HN LEU 90 3.98 17 0.22 0.65 ++++++ +++*+++++ ++ # peak 491 # SUP 0.69 Upper HD3 LYS+ 72 - HN VAL 94 4.34 8 0.08 0.31 ++ + * ++ ++ # peak 510 # SUP 2.31 Upper HA LYS+ 72 - HN VAL 94 5.50 10 0.19 0.64 ++ ++ ++ * ++ + # peak 522 # SUP 0.99 Upper HB3 MET 97 - HN VAL 99 5.36 12 0.24 0.74 +++ +++++ + +* + # peak 540 # SUP 2.65 HB3 ARG+ 22 - HN VAL 99 # SUP 1.15 Upper HN LEU 17 - HN PHE 34 5.23 11 0.21 0.71 + +++ + ++ + *++ # peak 691 # SUP 2.39 Upper HG2 GLU- 64 - HN VAL 65 4.18 7 0.08 0.48 * + + ++ ++ # peak 743 # SUP 3.08 Upper QG2 ILE 29 - HN GLU- 45 4.57 16 0.39 0.92 +++++ ++*++ ++ + +++ # peak 750 # SUP 1.04 HN GLU- 45 - QG2 VAL 62 # SUP 1.13 Upper HN THR 39 - HN ALA 42 5.50 9 0.08 0.29 + *+ ++ ++ ++ # peak 810 # SUP 1.06 Upper HA2 GLY 26 - HN ASP- 28 3.99 6 0.10 0.54 + + * + + + # peak 824 # SUP 1.59 HA1 GLY 26 - HN ASP- 28 # SUP 2.33 Upper HN TYR 83 - HN ARG+ 84 4.17 7 0.10 0.46 + + +* + + + # peak 876 # SUP 3.94 Upper HN SER 41 - HA ALA 42 5.02 12 0.13 0.31 + ++* + + ++ ++++ # peak 934 # SUP 1.31 Upper HN GLY 71 - QG2 VAL 94 4.60 7 0.13 0.67 ++ ++ ++ * # peak 1074 # SUP 1.82 Upper HN THR 24 - HB3 GLU- 50 4.83 11 0.21 0.69 +++ +*++ + ++ + # peak 1093 # SUP 1.50 Upper HN ARG+ 53 - HB3 GLU- 54 4.38 13 0.21 0.56 + +* ++++ + +++++ # peak 1099 # SUP 2.00 Upper HN ARG+ 53 - HA LYS+ 55 5.50 9 0.20 0.68 ++ + + +++ * + # peak 1101 # SUP 0.56 Upper HE1 TRP 51 - HB3 GLU- 54 5.17 6 0.09 0.37 +++++ * # peak 1116 # SUP 0.86 Upper HE1 TRP 51 - HB3 ARG+ 53 4.99 7 0.07 0.39 +++ ++* + # peak 1117 # SUP 1.70 HB3 GLU- 50 - HE1 TRP 51 # SUP 1.97 Upper HN PHE 21 - HB ILE 29 5.47 6 0.12 0.64 + ++ * + + # peak 1144 # SUP 4.41 Upper HN LYS+ 20 - HA2 GLY 30 5.15 10 0.14 0.50 + + ++++ +*+ + # peak 1163 # SUP 1.56 Upper HN LEU 17 - QD PHE 34 5.50 6 0.09 0.41 +*++ + + # peak 1187 # SUP 2.12 HN LEU 17 - QE PHE 34 # SUP 2.09 HN LEU 17 - HZ PHE 34 # SUP 1.82 Upper HG3 LYS+ 20 - HN VAL 99 5.50 9 0.21 0.83 ++ ++*++ + + # peak 1191 # SUP 1.34 HB3 LYS+ 20 - HN VAL 99 # SUP 2.50 HG13 ILE 19 - HN VAL 99 # SUP 1.50 Angle PSI LEU 17 116.00 146.00 9 4.35 12.48 + ++ +++ *++ Angle PHI ILE 19 239.00 273.00 9 4.40 10.48 +++ + +*+ ++ Angle PSI ILE 19 124.00 144.00 16 10.34 20.47 + + ++++*+++++++++ Angle PHI PHE 21 237.00 261.00 16 8.20 18.87 + ++++++++*+ ++++ + Angle PHI THR 24 276.00 298.00 9 4.43 11.80 + +*++++ + + Angle PSI THR 24 313.00 345.00 9 5.08 13.22 + ++ ++++ * + Angle PHI ASP- 25 248.00 276.00 6 2.54 8.31 +* +++ + Angle PSI ILE 29 109.00 149.00 13 7.27 20.95 ++++++++ * + ++ + Angle PSI PRO 31 128.00 150.00 8 4.47 14.40 +* +++++ + Angle PHI LYS+ 32 205.00 253.00 8 4.62 12.43 + + + + + * ++ Angle PSI LYS+ 32 137.00 157.00 18 11.41 17.97 ++++++++++++++++ * + Angle PHI ALA 33 246.00 278.00 20 16.55 24.39 ++++++++++++*+++++++ Angle PSI ALA 33 120.00 148.00 15 10.63 23.31 +++++++ + +++ *+ ++ Angle PHI PHE 34 222.00 260.00 13 7.54 13.65 +++*+ + ++ + ++ ++ Angle PSI LEU 43 314.00 338.00 6 3.01 13.59 + ++ * ++ Angle PSI LYS+ 44 314.00 10.00 6 4.32 19.31 + + + * ++ Angle PSI GLU- 45 311.00 337.00 6 3.26 12.22 + + *+ ++ Angle PHI VAL 47 286.00 306.00 9 6.12 16.59 * +++ ++ + ++ Angle PHI TRP 51 251.00 281.00 11 6.65 15.58 + ++* + ++ +++ + Angle PHI ARG+ 53 285.00 305.00 10 5.40 16.52 +++ ++++ + *+ Angle PSI ARG+ 53 314.00 334.00 11 5.87 14.44 + +* ++++ + + ++ Angle PHI GLU- 54 256.00 286.00 7 4.68 13.77 + +* + + ++ Angle PSI VAL 65 92.00 130.00 9 5.38 13.08 * +++ ++ + ++ Angle PHI LYS+ 66 235.00 281.00 10 5.79 13.48 + +++ + ++ +* + Angle PSI LYS+ 66 118.00 152.00 6 3.06 10.40 + ++ * + + Angle PHI LEU 67 223.00 259.00 6 3.96 13.75 + + + +* + Angle PSI LEU 67 135.00 155.00 6 4.23 18.24 ++ + ++ * Angle PHI ILE 68 227.00 253.00 10 6.30 18.92 + + + +++ ++ + * Angle PSI LYS+ 72 116.00 150.00 7 4.15 13.13 ++ * + + ++ Angle PSI GLY 92 349.00 11.00 8 3.89 11.15 +* ++ ++ ++ Angle PHI ALA 93 251.00 297.00 9 4.08 9.58 *+ ++ ++ ++ + Angle PSI ALA 93 109.00 151.00 14 7.18 17.15 ++++++ +++*+++ + Angle PHI VAL 94 245.00 279.00 16 8.80 22.15 ++++++ +++*++++++ Angle PSI THR 95 113.00 139.00 8 5.89 19.68 + + *+++ + + Angle PHI THR 96 246.00 294.00 15 8.20 15.77 ++++++*+++ +++ + + Angle PHI MET 97 248.00 292.00 7 3.87 14.41 + ++ ++ + * Angle PSI MET 97 120.00 166.00 7 4.42 25.07 + + ++ + +* Angle PSI HIS+ 98 121.00 149.00 15 7.99 18.58 ++++++ ++++ ++ ++* Angle PHI VAL 99 242.00 268.00 11 4.91 13.07 + + ++* ++ ++++ Angle PSI VAL 99 121.00 143.00 9 5.84 16.15 + *+ ++ + +++ Angle PHI ILE 100 227.00 273.00 10 5.28 13.85 *+ +++ + + +++ Angle PSI ILE 100 113.00 143.00 13 7.86 19.10 + ++ +++++ ++ + *+ Angle PHI ILE 101 252.00 274.00 11 6.73 14.70 +* ++++ + ++ ++ Angle PSI ILE 101 107.00 131.00 13 10.30 23.09 +*+ ++++++ +++ + Angle PHI GLN 102 231.00 287.00 11 6.82 20.63 +*+ ++ +++ +++ 98 violated distance constraints. 45 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 3.54 +/- 1.02 A (2.31..6.85 A) Average heavy atom RMSD to mean : 4.18 +/- 1.01 A (3.02..7.44 A)