Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 20.55 63 21.7 1.19 9 16.6 0.60 34 416.2 21.28 2 21.45 61 23.2 1.01 17 18.9 0.43 25 348.3 26.19 3 25.83 77 25.7 1.19 16 22.1 0.54 31 433.5 30.25 4 26.06 66 22.7 1.07 21 22.2 0.56 33 476.8 30.74 5 26.12 70 26.0 1.61 30 26.1 0.41 36 420.0 25.05 6 26.95 61 22.4 1.19 19 22.4 0.51 34 471.5 36.97 7 28.21 80 26.9 1.04 27 27.5 0.40 35 471.2 22.89 8 29.79 75 25.1 1.54 21 23.6 0.58 27 431.8 37.03 9 32.01 85 31.3 1.60 24 26.9 0.41 35 482.1 20.93 10 32.24 72 28.7 1.52 21 25.2 0.47 35 503.8 26.89 11 33.62 81 28.8 1.86 24 25.0 0.53 26 402.4 34.35 12 34.08 81 30.0 1.13 27 30.5 0.62 31 526.1 25.92 13 34.44 71 27.8 1.38 28 27.0 0.67 25 446.8 43.90 14 35.80 73 27.9 1.35 28 25.1 0.59 31 525.0 36.15 15 36.37 61 26.2 1.41 29 23.6 0.78 29 505.5 33.77 16 37.11 79 32.1 1.87 27 29.6 0.60 44 518.8 22.28 17 37.60 77 30.0 1.09 26 29.8 0.49 38 571.7 38.57 18 39.38 76 29.6 1.26 19 20.2 0.66 35 590.9 54.73 19 40.13 91 34.2 1.30 32 32.0 0.65 46 597.1 33.88 20 40.35 86 35.1 1.14 32 30.1 0.58 33 541.2 32.03 Ave 31.90 74 27.8 1.34 24 25.2 0.55 33 484.0 31.69 +/- 5.87 9 3.7 0.25 6 4.0 0.10 5 63.8 8.20 Min 20.55 61 21.7 1.01 9 16.6 0.40 25 348.3 20.93 Max 40.35 91 35.1 1.87 32 32.0 0.78 46 597.1 54.73 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 HA ILE 48 - QG2 VAL 62 4.74 14 0.20 0.63 ++++ ++ *+++++ ++ # peak 116 # SUP 2.04 HA LYS+ 44 - QG2 VAL 62 # SUP 1.72 Upper HA1 GLY 58 - QG2 VAL 62 5.40 7 0.12 0.44 + + * ++ + + # peak 139 # SUP 1.10 Upper HA VAL 73 - HB3 GLU- 75 4.47 17 0.47 1.24 +++++++ + +++*+++++ # peak 301 # SUP 2.69 HA VAL 73 - HG2 GLN 102 # SUP 0.75 Upper HA ASN 89 - QG2 VAL 105 5.07 12 0.20 0.49 + +*+ + ++++++ + # peak 372 # SUP 4.84 QG2 VAL 87 - HA ASN 89 # SUP 5.42 Upper HG3 PRO 86 - HB2 SER 88 4.89 6 0.12 0.92 ++ + * + + # peak 390 # SUP 2.34 Upper HG3 PRO 86 - QG2 VAL 87 3.96 6 0.09 0.50 + + + + *+ # peak 391 # SUP 4.03 Upper HA VAL 73 - HG LEU 74 4.42 18 0.64 1.14 ++++++++ + ++*++++++ # peak 425 # SUP 4.36 HA VAL 73 - QG2 ILE 101 # SUP 1.36 Upper HA VAL 73 - HA VAL 94 4.05 11 0.16 0.41 ++ + ++ + ++ + +* # peak 526 # SUP 3.40 Upper HA GLU- 18 - QB ALA 91 4.23 6 0.19 1.30 + ++ * + + # peak 679 # SUP 2.26 HA ASN 89 - QB ALA 91 # SUP 1.92 Upper HA ASN 89 - QB ALA 103 3.97 16 0.53 1.21 ++++++ +*++ ++++++ # peak 719 # SUP 6.42 Upper HA ASN 89 - QG2 ILE 101 5.35 9 0.23 0.96 ++ + + ++* + + # peak 759 # SUP 1.64 HA GLU- 75 - QG2 ILE 101 # SUP 1.67 HA GLU- 18 - QG2 ILE 101 # SUP 0.44 Upper HB VAL 99 - QG2 ILE 100 4.16 13 0.19 0.61 + + ++++++ * + +++ # peak 781 # SUP 0.94 HB3 MET 97 - QG2 ILE 100 # SUP 0.42 Upper QG2 ILE 29 - HB ILE 48 5.21 6 0.09 0.29 + + ++ + * # peak 905 # SUP 2.31 HG12 ILE 29 - HB ILE 48 # SUP 3.54 Upper HA LEU 43 - HB ILE 68 5.50 7 0.10 0.37 + * + + + ++ # peak 941 # SUP 2.53 Upper HA GLU- 56 - HA1 GLY 58 4.23 18 0.33 1.08 +++++ +++++++++ *+++ # peak 972 # SUP 3.31 Upper HA GLU- 18 - HG LEU 74 4.88 15 0.41 0.97 *+++++ ++ ++ ++++ + # peak 1096 # SUP 3.61 HA GLU- 18 - QD1 ILE 68 # SUP 0.21 HA GLU- 18 - QG2 ILE 101 # SUP 0.44 Upper QD1 ILE 19 - HB3 MET 97 3.93 11 0.13 0.59 +++ + + + ++ +*+ # peak 1114 # SUP 1.99 QD1 ILE 19 - HB VAL 99 # SUP 1.02 Upper QD1 ILE 48 - HN THR 61 5.38 10 0.13 0.44 ++ ++ ++ ++ +* # peak 1129 # SUP 1.85 Upper QD1 ILE 101 - HA GLN 102 4.84 15 0.33 0.93 ++ ++*++++ ++++ ++ # peak 1262 # SUP 3.97 Upper HG LEU 74 - QD1 ILE 101 4.65 8 0.11 0.52 ++ + + + + +* # peak 1273 # SUP 5.30 HB3 LEU 74 - QD1 ILE 101 # SUP 1.62 Upper HB3 LEU 67 - HB ILE 68 4.93 12 0.18 0.77 + + ++++ +++* ++ # peak 1365 # SUP 4.25 Upper HA2 GLY 26 - HA ILE 48 4.42 8 0.09 0.42 ++ + + +++* # peak 1389 # SUP 2.00 HA1 GLY 26 - HA ILE 48 # SUP 2.73 Upper HB2 LEU 17 - HB3 GLU- 18 4.25 17 0.29 0.88 ++++++++++ ++ ++*++ # peak 1396 # SUP 3.97 Upper HB ILE 29 - HB ILE 48 5.01 9 0.11 0.32 ++ *++ +++ + # peak 1723 # SUP 1.94 HB2 LEU 23 - HB ILE 48 # SUP 0.02 Upper HG LEU 74 - HB ILE 100 5.50 6 0.17 0.80 + + + *++ # peak 1748 # SUP 5.89 Upper HG2 GLU- 18 - HA ASN 89 5.42 17 0.25 0.65 +++++++++ ++*+++ ++ # peak 1818 # SUP 6.81 Upper HG3 GLU- 56 - HA1 GLY 58 4.17 10 0.12 0.47 + ++ +++ ++ +* # peak 1820 # SUP 4.56 HG3 GLU- 45 - HG3 GLU- 56 # SUP 0.46 Upper HG3 GLU- 45 - HG3 GLU- 56 3.95 16 0.27 1.39 ++ +++ ++++++++* ++ # peak 1838 # SUP 0.46 HB3 LEU 43 - HG3 GLU- 45 # SUP 1.19 HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.71 HB3 LEU 43 - HG2 GLU- 45 # SUP 1.24 Upper HN LYS+ 60 - HB2 LYS+ 66 5.33 18 0.27 1.08 + ++++++++++ +++++*+ # peak 1911 # SUP 1.62 Upper QG2 THR 61 - HB2 LYS+ 66 5.03 11 0.17 0.57 + +++ ++*++ + + # peak 1919 # SUP 1.60 HB3 LYS+ 72 - HG LEU 74 # SUP 1.18 Upper HB3 LYS+ 72 - HN VAL 94 4.83 11 0.28 1.15 ++ ++++++ *+ + # peak 1924 # SUP 4.78 Upper HA ASN 89 - HG2 GLN 102 5.50 6 0.11 0.55 + + +*+ + # peak 1927 # SUP 2.88 Upper HB3 LYS+ 72 - QG1 VAL 94 4.46 13 0.55 1.30 ++++ ++ + +++ + *+ # peak 1934 # SUP 3.62 HB3 LYS+ 72 - QB ALA 93 # SUP 1.11 Upper HB VAL 87 - HB2 SER 88 4.94 9 0.14 0.62 ++ + + * + + ++ # peak 2031 # SUP 2.71 HB VAL 87 - HA ASN 89 # SUP 3.47 Upper HA ASN 89 - HB3 PRO 104 4.44 14 0.19 0.59 ++ +++++ ++* ++ ++ # peak 2066 # SUP 7.00 HA SER 88 - HB3 PRO 104 # SUP 2.27 Upper HA ASN 89 - HB2 PRO 104 4.10 19 0.55 1.52 +++++++ +*++++++++++ # peak 2071 # SUP 5.34 Upper HN ASN 89 - HB3 GLN 102 4.90 6 0.12 0.73 + +* + + + # peak 2173 # SUP 1.19 Upper HB3 GLU- 107 - HB2 LYS+ 108 2.47 13 0.34 0.59 +*+ ++ ++ ++ ++ + + # peak 2222 # SUP 1.96 HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.48 Upper HG3 GLU- 45 - HB2 GLU- 50 5.30 10 0.16 1.16 ++++++ + + *+ # peak 2315 # SUP 1.91 HG2 GLU- 45 - HB2 GLU- 50 # SUP 0.35 Upper HG12 ILE 19 - HB VAL 99 4.59 10 0.15 0.60 + + + ++++ *++ # peak 2495 # SUP 0.78 HG12 ILE 19 - HB3 MET 97 # SUP 1.19 Upper HB THR 96 - HA MET 97 5.50 6 0.08 0.35 +*+++ + # peak 2508 # SUP 0.70 Upper HG3 ARG+ 84 - HA SER 85 5.33 15 0.34 0.96 ++ ++++*++ + ++ +++ # peak 2535 # SUP 1.06 HG3 ARG+ 84 - HA ASN 89 # SUP 1.19 Upper HG LEU 74 - HB VAL 99 3.85 15 0.32 0.85 ++*++ + +++++ ++++ # peak 2571 # SUP 4.49 HG LEU 74 - HB3 MET 97 # SUP 2.13 Upper HG LEU 74 - HB ILE 100 4.60 12 0.19 0.59 +++ +++ ++ +* + + # peak 2572 # SUP 5.89 HG LEU 74 - HG12 ILE 101 # SUP 5.53 Upper HG LEU 74 - QD1 ILE 101 5.06 9 0.17 0.70 + + + ++ * + ++ # peak 2585 # SUP 5.30 Upper QG2 ILE 48 - HA VAL 62 4.89 8 0.08 0.29 + +*+ + + ++ # peak 2705 # SUP 0.75 Upper HG LEU 74 - QG1 VAL 99 4.29 9 0.14 0.92 ++ + + * +++ + # peak 3020 # SUP 2.61 QG1 VAL 99 - QG2 ILE 101 # SUP 1.02 Upper QG1 VAL 99 - QD1 ILE 101 4.38 8 0.11 0.38 ++ + + + * ++ # peak 3024 # SUP 0.59 Upper HB3 GLU- 75 - QG2 ILE 101 4.38 9 0.15 0.54 ++ + *+ + +++ # peak 3304 # SUP 3.08 QG2 ILE 101 - HB3 LYS+ 120 # SUP 0.35 Upper HA1 GLY 71 - QG2 VAL 94 5.50 6 0.09 0.43 + + + + * + # peak 3331 # SUP 1.83 HG12 ILE 19 - HA1 GLY 71 # SUP 1.68 QD1 ILE 19 - HA1 GLY 71 # SUP 1.12 Upper HB3 LEU 17 - QD2 LEU 90 3.97 9 0.16 0.89 ++ * ++ ++ + + # peak 3388 # SUP 1.58 HG LEU 17 - QD2 LEU 90 # SUP 2.84 Upper QD2 LEU 23 - HA1 GLY 58 5.50 6 0.08 0.65 +* + + ++ # peak 3394 # SUP 1.41 Upper QD2 LEU 23 - HZ2 TRP 51 5.50 6 0.08 0.31 + + + + *+ # peak 3399 # SUP 2.96 QD2 LEU 23 - HN VAL 47 # SUP 0.75 Upper QD2 LEU 17 - HG3 ARG+ 84 4.80 13 0.20 0.83 + +++ ++ *+++ + ++ # peak 3427 # SUP 1.78 Upper HG3 PRO 86 - HA ASN 89 4.13 20 0.61 1.23 +++++++*++++++++++++ # peak 3481 # SUP 3.29 Upper QE PHE 21 - QD2 LEU 67 5.50 8 0.11 0.64 + + + +++* + # peak 3484 # SUP 0.93 Upper HB2 GLU- 18 - HA ASN 89 5.50 8 0.11 0.44 + ++++ * + + # peak 3517 # SUP 5.02 Upper HG2 GLU- 18 - HG LEU 74 5.50 12 0.17 0.44 +++++ ++*+ + ++ # peak 3639 # SUP 2.70 Upper HB2 LEU 67 - QD1 ILE 68 4.13 7 0.14 0.61 + + * + + ++ # peak 3797 # SUP 3.78 HD3 LYS+ 32 - QD1 ILE 68 # SUP 0.36 Upper HB2 GLU- 18 - QG1 VAL 94 4.29 13 0.24 0.69 + ++ ++ +++++++ * # peak 3849 # SUP 1.64 HB3 GLU- 75 - QG1 VAL 94 # SUP 0.53 Upper HB3 LYS+ 72 - QG2 VAL 94 4.33 11 0.20 1.26 ++++++ ++ + *+ # peak 3852 # SUP 5.56 Upper QD1 ILE 19 - QE PHE 34 4.58 8 0.10 0.33 ++ ++* + ++ # peak 318 # SUP 1.85 HG12 ILE 19 - QE PHE 34 # SUP 2.26 Upper QG2 VAL 47 - HE3 TRP 51 4.15 14 0.26 0.66 ++++ ++ ++++++ * + # peak 380 # SUP 2.01 QG1 VAL 47 - HE3 TRP 51 # SUP 2.27 Upper QG1 VAL 80 - QE TYR 83 4.02 7 0.10 0.40 + + + ++ + * # peak 480 # SUP 0.75 QG2 VAL 73 - QE TYR 83 # SUP 1.39 HG LEU 74 - QE TYR 83 # SUP 1.51 Upper HZ2 TRP 51 - HB3 LYS+ 55 5.22 12 0.19 0.52 + +++*+++ + +++ # peak 527 # SUP 2.00 Upper HA TYR 83 - QE TYR 83 5.08 6 0.14 0.54 + + *+ + + # peak 547 # SUP 0.02 QE TYR 83 - HA ASN 89 # SUP 0.02 Upper QD1 LEU 74 - QE TYR 83 5.01 7 0.10 0.44 + * ++ + + + # peak 549 # SUP 1.93 Upper QD TYR 83 - HG3 ARG+ 84 4.75 17 0.33 0.75 +++++ +++ +++++ +++* # peak 551 # SUP 3.23 Upper QD1 LEU 74 - QD TYR 83 4.97 12 0.16 0.43 ++++++++ + +* + # peak 554 # SUP 1.08 Upper HA ASN 89 - HN GLN 102 5.40 14 0.24 0.71 ++++++ ++ + +*++ + # peak 45 # SUP 3.85 HA GLU- 18 - HN GLN 102 # SUP 1.31 Upper HG LEU 74 - HN ILE 101 5.28 10 0.15 0.56 ++ + + * + ++++ # peak 54 # SUP 4.13 Upper HN MET 97 - HA HIS+ 98 4.78 15 0.32 1.13 +++++ + +++++ ++* + # peak 71 # SUP 1.57 Upper HA VAL 73 - HN THR 95 3.97 20 0.97 1.83 ++++++++++*+++++++++ # peak 91 # SUP 5.43 Upper HB3 LYS+ 72 - HN THR 95 5.50 7 0.13 0.52 ++++ ++ * # peak 98 # SUP 4.32 HB VAL 73 - HN THR 95 # SUP 2.70 Upper HN TRP 51 - HD2 PRO 52 4.23 12 0.16 0.41 +++ +*+++ + + + + # peak 170 # SUP 3.06 HA ILE 48 - HN TRP 51 # SUP 1.84 Upper QD1 ILE 19 - HN HIS+ 98 5.50 8 0.16 0.91 ++ +*++ ++ # peak 184 # SUP 0.91 HG12 ILE 19 - HN HIS+ 98 # SUP 1.49 QG2 VAL 94 - HN HIS+ 98 # SUP 0.28 Upper HN GLU- 56 - HA1 GLY 58 5.09 10 0.24 1.06 + + +++ + ++ +* # peak 228 # SUP 2.26 Upper HN ALA 42 - HG LEU 43 3.98 6 0.09 0.69 + ++ + * + # peak 233 # SUP 0.81 Upper HN GLU- 18 - HA ASN 89 5.40 16 0.34 0.81 ++++++ +++*+++ + ++ # peak 246 # SUP 6.45 Upper HA VAL 73 - HN ALA 93 4.55 17 0.53 1.01 +++++++ ++++ *+++++ # peak 291 # SUP 2.23 HA LEU 90 - HN ALA 93 # SUP 1.39 Upper HG2 PRO 104 - HN CYS 121 5.20 6 0.07 0.44 +++ * ++ # peak 363 # SUP 1.05 HB3 PRO 104 - HN CYS 121 # SUP 0.97 HB3 PRO 104 - HN VAL 122 # SUP 0.81 HG2 PRO 104 - HN VAL 122 # SUP 1.12 Upper HN LYS+ 72 - HN THR 95 4.96 10 0.22 1.06 + +++ + +*++ + # peak 447 # SUP 2.58 Upper HG13 ILE 19 - HN ILE 68 5.36 7 0.07 0.22 + +++ +*+ # peak 458 # SUP 2.37 QG2 THR 38 - HN ILE 68 # SUP 0.46 QG2 THR 39 - HN ILE 68 # SUP 0.12 Upper HB3 LEU 17 - HN LEU 90 4.07 7 0.10 0.39 *+ + + + + + # peak 491 # SUP 0.92 Upper QB ALA 91 - HN VAL 94 4.72 9 0.16 0.59 + +++ * +++ + # peak 506 # SUP 0.99 HG LEU 74 - HN VAL 94 # SUP 1.94 HG13 ILE 19 - HN VAL 94 # SUP 0.47 Upper HA VAL 73 - HN VAL 94 3.67 7 0.49 1.87 + +++ + +* # peak 507 # SUP 7.49 Upper HN LYS+ 81 - HG3 ARG+ 84 4.93 12 0.18 0.60 + ++++++++*+ + # peak 707 # SUP 2.34 Upper HG LEU 43 - HN GLU- 45 5.20 14 0.21 0.53 + ++++++++*+++ + # peak 752 # SUP 0.92 HN GLU- 45 - HB3 LEU 67 # SUP 0.75 Upper HN LYS+ 44 - HB3 LEU 67 5.11 7 0.09 0.53 + ++ + + *+ # peak 780 # SUP 2.04 Upper HN THR 39 - HG LEU 43 4.81 6 0.08 0.31 + + + ++ * # peak 807 # SUP 0.83 Upper HN SER 27 - HB ILE 48 5.50 11 0.12 0.34 + + + *+ +++ ++ + # peak 818 # SUP 0.75 Upper HN GLU- 64 - HA VAL 65 5.28 7 0.07 0.33 + + + +* + + # peak 892 # SUP 2.19 Upper HZ2 TRP 51 - HG3 LYS+ 55 4.68 7 0.17 0.84 + + + + + * + # peak 950 # SUP 2.00 Upper HA GLU- 18 - HN GLY 92 4.13 9 0.16 0.80 +++ + + *+ + + # peak 1017 # SUP 0.75 HA VAL 73 - HN GLY 92 # SUP 1.36 HA ASN 89 - HN GLY 92 # SUP 0.78 Upper HB ILE 48 - HN GLY 58 5.50 7 0.16 1.00 + ++ + + +* # peak 1065 # SUP 0.97 Upper HN GLY 71 - QG2 VAL 94 4.70 6 0.07 0.32 + + ++ + * # peak 1074 # SUP 1.74 HG12 ILE 19 - HN GLY 71 # SUP 1.50 QD1 ILE 19 - HN GLY 71 # SUP 1.14 Upper HA SER 69 - HN GLY 71 5.50 6 0.06 0.37 +*+ + + + # peak 1078 # SUP 1.42 Upper HN LYS+ 20 - HA2 GLY 30 5.26 6 0.12 0.91 + ++ *++ # peak 1163 # SUP 1.74 Upper HG LEU 74 - HN VAL 99 5.50 9 0.09 0.55 + + + +++ ++* # peak 1191 # SUP 2.35 HG3 ARG+ 22 - HN VAL 99 # SUP 0.75 Upper HG LEU 74 - HE22 GLN 102 5.50 8 0.13 0.59 ++ + *+ + ++ # peak 1223 # SUP 5.07 Angle PSI LEU 17 116.00 146.00 10 5.22 14.16 +* + + +++ + + + Angle PSI ILE 19 124.00 144.00 6 2.90 10.76 * +++ + + Angle PHI GLU- 45 283.00 303.00 8 3.68 12.53 + + + *++++ Angle PSI GLU- 45 311.00 337.00 8 4.04 9.22 ++ + ++ * ++ Angle PHI VAL 47 286.00 306.00 14 7.99 20.93 ++++++ +* ++ ++++ Angle PSI VAL 47 304.00 324.00 8 4.71 9.02 ++++ + * + + Angle PSI TRP 51 110.00 138.00 12 9.78 25.05 + + * +++ + +++++ Angle PSI ARG+ 53 314.00 334.00 19 11.23 18.58 ++++ ++++++++++*++++ Angle PHI GLU- 54 256.00 286.00 12 6.01 13.64 ++ +++++++++* Angle PSI GLU- 54 331.00 13.00 15 7.76 17.51 + +++++++++ ++++* Angle PSI THR 61 147.00 175.00 6 4.33 16.52 + + + + + * Angle PSI VAL 65 92.00 130.00 12 6.44 14.90 + ++++++* + ++ + Angle PHI LYS+ 66 235.00 281.00 10 4.41 9.58 + *++++++ + + Angle PSI LYS+ 66 118.00 152.00 9 4.02 8.35 * + + ++ + + ++ Angle PHI LEU 67 223.00 259.00 10 5.12 13.26 + + ++++ + + +* Angle PSI LEU 67 135.00 155.00 15 6.39 12.16 ++++++ + ++ +*++ ++ Angle PHI ILE 68 227.00 253.00 8 4.88 18.67 + + ++ +++* Angle PHI LYS+ 72 235.00 261.00 6 2.94 7.70 ++ + + * + Angle PSI LYS+ 72 116.00 150.00 8 5.57 36.15 ++++ + *+ + Angle PSI VAL 73 107.00 137.00 8 5.59 20.75 + +++ ++* + Angle PSI ARG+ 84 118.00 162.00 8 5.37 22.41 + + + ++ *+ + Angle PHI LEU 90 254.00 298.00 7 4.32 12.93 ++ + + * + + Angle PSI GLY 92 349.00 11.00 15 6.96 13.38 +++++ +++++*+ ++ + Angle PHI ALA 93 251.00 297.00 19 13.01 21.22 ++++++++++++*++++ ++ Angle PSI ALA 93 109.00 151.00 16 10.75 33.77 + +++++++ ++ +*++ ++ Angle PHI VAL 94 245.00 279.00 19 13.07 21.55 ++++++++++ ++++++++* Angle PSI VAL 94 119.00 147.00 18 15.09 28.65 +++++++ +++++*+ ++++ Angle PSI THR 95 113.00 139.00 19 13.77 43.90 +++++++ ++++*+++++++ Angle PHI THR 96 246.00 294.00 18 13.51 34.72 +++++++ ++++* ++++++ Angle PSI THR 96 116.00 146.00 20 24.83 37.03 +++++++*++++++++++++ Angle PHI MET 97 248.00 292.00 20 22.48 33.84 +++++*++++++++++++++ Angle PSI MET 97 120.00 166.00 15 10.21 20.60 ++ +++ +++++++ +*+ Angle PHI HIS+ 98 248.00 288.00 13 7.68 19.55 +++ + + +++++ +*+ Angle PSI HIS+ 98 121.00 149.00 18 17.92 27.97 ++++++++++ +++++++* Angle PHI VAL 99 242.00 268.00 18 16.19 30.25 ++*+++ ++++ ++++++++ Angle PSI VAL 99 121.00 143.00 15 12.56 32.75 + ++++++++ +*++ ++ Angle PHI ILE 100 227.00 273.00 13 7.61 19.99 +++++ + +*+++++ Angle PSI ILE 100 113.00 143.00 17 11.53 22.54 + ++ +++++ ++++++*++ Angle PHI ILE 101 252.00 274.00 14 9.48 20.62 +++++ + + +++++ *+ Angle PSI ILE 101 107.00 131.00 11 9.15 54.73 ++ + ++ ++ +*++ Angle PHI GLN 102 231.00 287.00 11 7.72 23.14 ++++ + + *++ ++ Angle PSI GLN 102 122.00 152.00 6 3.73 20.29 + * + + + + 100 violated distance constraints. 42 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 4.13 +/- 1.88 A (2.34..7.37 A) Average heavy atom RMSD to mean : 4.73 +/- 1.93 A (2.99..8.58 A)