Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 104.73 44 70.7 1.52 97 60.5 0.67 54 933.8 41.25 2 106.45 49 80.6 2.02 76 56.9 0.55 58 887.3 43.38 3 114.11 52 78.1 1.75 78 59.7 0.53 51 965.1 51.89 4 116.78 56 86.3 1.79 86 60.3 0.75 56 890.0 48.23 5 117.57 53 80.6 1.91 78 60.6 0.62 63 994.5 44.79 6 118.91 48 83.1 1.86 80 57.6 0.65 48 899.4 57.76 7 119.67 53 86.8 1.72 88 60.8 0.72 59 911.6 59.79 8 120.41 55 87.0 2.00 105 70.4 0.91 54 800.6 51.69 9 122.12 57 88.0 1.72 92 66.9 0.74 50 821.2 39.45 10 122.42 50 81.3 2.04 92 57.4 0.69 54 912.7 47.98 11 123.32 46 82.9 1.95 73 58.3 0.97 53 999.4 60.34 12 126.80 49 84.6 2.42 95 67.6 0.75 49 943.1 49.31 13 126.97 55 86.0 1.95 107 69.6 0.76 44 834.1 44.73 14 128.97 48 84.1 1.86 106 68.9 0.64 64 1093.5 48.07 15 131.06 52 88.3 1.99 100 68.4 0.84 53 990.4 57.42 16 131.60 54 82.9 1.84 93 65.8 0.77 56 1099.0 63.53 17 131.81 63 96.5 1.96 73 60.2 0.67 57 919.1 49.16 18 132.04 40 77.2 1.75 115 77.0 0.74 52 1031.3 53.74 19 133.39 48 81.7 1.83 103 67.9 1.10 49 1024.7 71.92 20 133.76 57 88.5 1.93 110 69.3 0.89 60 944.7 38.52 Ave 123.14 51 83.8 1.89 92 64.2 0.75 54 944.8 51.15 +/- 8.30 5 5.2 0.18 13 5.5 0.14 5 79.8 8.39 Min 104.73 40 70.7 1.52 73 56.9 0.53 44 800.6 38.52 Max 133.76 63 96.5 2.42 115 77.0 1.10 64 1099.0 71.92 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.60 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper QG1 VAL 47 - HE3 TRP 51 4.71 7 0.48 1.57 + + + * + + + # peak 101 # SUP 1.02 QG1 VAL 47 - HN ASP- 82 # SUP 0.65 QG2 VAL 47 - HE3 TRP 51 # SUP 1.30 QG2 VAL 47 - HN ASP- 82 # SUP 0.38 Upper QG2 VAL 62 - HA GLU- 64 4.21 13 0.63 1.57 ++++ +* + + +++++ # peak 112 # SUP 0.68 QG1 VAL 47 - HA ASP- 82 # SUP 0.71 QG2 VAL 62 - HA VAL 73 # SUP 0.08 QG1 VAL 47 - HA GLU- 64 # SUP 0.02 QG1 VAL 47 - HA VAL 73 # SUP 0.02 QG1 VAL 47 - HA VAL 87 # SUP 0.02 QG2 VAL 62 - HA VAL 87 # SUP 0.02 Upper QD1 LEU 43 - HB2 LEU 67 4.53 6 0.30 1.11 + + ++ + * # peak 214 # SUP 4.48 Upper HA ILE 68 - HA VAL 73 5.14 8 0.47 1.27 + ++ +*+ + + # peak 293 # SUP 3.53 Upper HB2 LEU 67 - HA VAL 73 5.38 11 0.53 1.19 + ++ ++++ + +* + # peak 396 # SUP 3.52 HG3 ARG+ 84 - HA VAL 87 # SUP 0.20 HG LEU 23 - HA VAL 87 # SUP 0.02 Upper QG2 ILE 101 - QB ALA 103 4.47 6 0.41 1.21 +* + + + + # peak 789 # SUP 1.09 HG2 LYS+ 32 - QG2 ILE 101 # SUP 1.48 Upper HA ARG+ 53 - HB3 GLU- 54 4.24 13 0.68 1.10 + + ++* ++++ ++ ++ # peak 938 # SUP 1.90 HA ARG+ 53 - HB3 GLU- 56 # SUP 0.15 Upper QG2 ILE 48 - HB3 LEU 67 4.79 8 0.44 1.27 + ++ + +*++ # peak 955 # SUP 4.27 QG2 ILE 48 - QB ALA 70 # SUP 0.46 Upper HA GLU- 18 - QG2 ILE 101 4.74 9 0.64 2.04 + + +* ++ ++ + # peak 1096 # SUP 1.57 HA GLU- 18 - QG2 VAL 40 # SUP 1.00 HA GLU- 18 - QD1 ILE 68 # SUP 0.18 Upper QD1 ILE 19 - HB3 MET 97 3.81 7 0.51 1.68 ++ + * ++ + # peak 1114 # SUP 2.72 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.48 Upper QD1 ILE 48 - HB3 SER 77 4.46 6 0.37 1.21 + * + +++ # peak 1145 # SUP 2.35 QD1 ILE 48 - HB2 SER 85 # SUP 1.66 QD1 ILE 48 - HD3 PRO 86 # SUP 1.39 QD1 ILE 48 - HD2 PRO 86 # SUP 0.80 Upper HG LEU 17 - HA LEU 90 4.04 7 0.47 1.17 +++ + + *+ # peak 1152 # SUP 2.07 HA LEU 90 - HG3 LYS+ 110 # SUP 1.78 HA LEU 90 - HG2 LYS+ 110 # SUP 1.34 HB3 LEU 17 - HA LEU 90 # SUP 1.80 Upper QD1 ILE 48 - HB3 LEU 67 3.97 10 0.74 1.50 + + +++ +++ +* # peak 1153 # SUP 3.90 QD1 ILE 48 - QB ALA 70 # SUP 0.31 Upper HA ALA 91 - HA ALA 93 5.50 11 0.67 1.28 ++++ + + + +*+ + # peak 1246 # SUP 1.06 HA ALA 91 - HA1 GLY 114 # SUP 0.02 Upper HG2 LYS+ 32 - QD1 ILE 101 4.51 10 0.82 2.42 + ++ + +++*+ + # peak 1273 # SUP 0.75 HB3 LEU 74 - QD1 ILE 101 # SUP 0.09 Upper HB3 LEU 67 - HB ILE 68 4.79 9 0.46 1.21 + *++ +++ ++ # peak 1365 # SUP 4.34 Upper HA1 GLY 30 - HA ILE 68 5.40 11 0.71 1.98 ++++ + * ++ ++ + # peak 1455 # SUP 2.23 Upper HB VAL 62 - HG3 GLU- 64 4.31 12 0.59 0.94 + +*+ + + ++ + +++ # peak 1805 # SUP 1.47 HG3 GLU- 64 - HB3 GLU- 75 # SUP 0.55 Upper HG2 GLU- 18 - HA MET 97 5.27 11 0.65 1.95 ++++++ + * +++ # peak 1818 # SUP 1.14 HG2 GLU- 18 - HA LYS+ 113 # SUP 0.26 Upper HB3 LEU 43 - HG3 GLU- 45 3.84 6 0.41 1.07 + ++ * + + # peak 1838 # SUP 1.03 HB3 LEU 43 - HG2 GLU- 45 # SUP 1.26 HG2 GLU- 45 - HB VAL 47 # SUP 0.28 HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HG3 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HB2 ASP- 28 - HG2 GLU- 45 # SUP 0.14 Upper HB3 PRO 31 - HA ILE 68 5.24 6 0.42 1.54 ++ + + +* # peak 1893 # SUP 1.74 Upper HB3 MET 97 - QG2 VAL 99 5.42 6 0.45 1.74 + + +* ++ # peak 1921 # SUP 2.24 Upper HA GLU- 18 - HB3 GLN 102 4.03 9 0.48 1.40 + + + + +*++ + # peak 2181 # SUP 1.25 HB3 GLN 102 - HA LYS+ 110 # SUP 0.12 Upper HB3 GLU- 107 - HB2 LYS+ 108 2.40 13 0.62 1.24 +++ ++ +++* + ++ + # peak 2222 # SUP 2.22 HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.93 Upper HG3 GLU- 45 - HB2 GLU- 50 5.15 6 0.45 1.48 + *+ + + + # peak 2315 # SUP 2.27 HG2 GLU- 45 - HB2 GLU- 50 # SUP 2.04 Upper HG13 ILE 19 - HA ILE 68 5.50 7 0.40 1.60 ++ * + + ++ # peak 2485 # SUP 2.06 Upper HN LEU 43 - QD2 LEU 74 4.96 10 0.56 1.36 +++ + + + * +++ # peak 2670 # SUP 1.18 Upper HB2 LEU 67 - QD2 LEU 74 3.85 6 0.29 1.51 + + ++ * + # peak 2676 # SUP 4.64 QD2 LEU 74 - HG3 ARG+ 84 # SUP 1.59 Upper HG2 LYS+ 20 - HG13 ILE 100 3.07 9 0.62 1.54 ++++ + ++ * + # peak 2783 # SUP 3.78 Upper HA LYS+ 60 - HB THR 61 3.53 13 0.64 1.01 ++ +++++++* + + + # peak 3343 # SUP 2.93 HA ASN 57 - HB THR 61 # SUP 0.42 Upper QD1 LEU 23 - HB2 HIS+ 98 5.50 6 0.27 0.80 + + + * + + # peak 3379 # SUP 2.96 QD1 LEU 23 - HG3 MET 97 # SUP 0.22 Upper HA1 GLY 30 - HG3 LYS+ 32 5.50 6 0.40 1.06 *++ + + + # peak 3456 # SUP 0.93 HD3 PRO 31 - HG3 LYS+ 32 # SUP 3.32 HG3 LYS+ 32 - HB3 SER 69 # SUP 0.08 Upper HA1 GLY 30 - HG2 LYS+ 32 5.50 10 0.64 1.60 ++++ + +++ +* # peak 3457 # SUP 0.93 HD3 PRO 31 - HG2 LYS+ 32 # SUP 3.05 HG2 LYS+ 32 - HB3 SER 69 # SUP 0.08 Upper HG13 ILE 19 - HN ILE 68 5.50 8 0.39 1.06 + + * ++ +++ # peak 3489 # SUP 1.99 Upper HB3 LYS+ 20 - HG3 PRO 31 5.50 6 0.48 1.59 + + + + * + # peak 3637 # SUP 2.15 HB2 LYS+ 20 - HG3 PRO 31 # SUP 2.48 HB2 LYS+ 20 - HB ILE 29 # SUP 2.35 HB3 LYS+ 20 - HB ILE 29 # SUP 2.23 Upper HB ILE 48 - HB3 SER 77 5.50 6 0.32 1.54 + ++ ++* # peak 3673 # SUP 2.58 HB ILE 48 - HB2 SER 85 # SUP 2.75 HB ILE 48 - HD3 PRO 86 # SUP 2.33 HB ILE 48 - HD2 PRO 86 # SUP 1.37 Upper HN LEU 43 - HB ILE 68 5.50 6 0.57 1.89 + + * + + + # peak 3695 # SUP 2.86 HB ILE 68 - HN LYS+ 72 # SUP 1.08 Upper QG2 ILE 29 - HN ILE 48 5.50 8 0.70 1.86 + + +*++ + + # peak 3815 # SUP 1.17 HG12 ILE 29 - HN ILE 48 # SUP 0.68 Upper QG2 VAL 47 - HE3 TRP 51 4.83 6 0.42 1.24 + ++ + * + # peak 380 # SUP 1.30 QG1 VAL 47 - HE3 TRP 51 # SUP 1.02 HE3 TRP 51 - QG2 VAL 87 # SUP 0.02 Upper QD1 LEU 23 - HZ2 TRP 51 5.50 9 0.57 1.47 +++ *+ + + ++ # peak 528 # SUP 3.34 Upper HN LEU 23 - HB3 GLU- 50 5.01 13 0.81 1.82 * + ++++ ++++ +++ # peak 21 # SUP 0.97 HN LEU 23 - HB ILE 48 # SUP 0.08 Upper HN LYS+ 66 - HB2 LEU 67 4.26 13 0.79 1.71 +++ *+++ + + ++ + + # peak 25 # SUP 1.97 Upper HN MET 97 - HA HIS+ 98 4.03 19 0.96 1.68 ++++++*++++++++++ ++ # peak 71 # SUP 1.57 Upper HN TRP 51 - HD2 PRO 52 3.57 12 0.68 1.47 +++ *+ + ++++++ # peak 170 # SUP 3.63 Upper HN THR 96 - HB3 MET 97 4.97 20 1.46 2.02 +*++++++++++++++++++ # peak 191 # SUP 3.00 Upper HA LEU 90 - HN ALA 93 3.84 15 0.89 1.48 ++++* ++ ++++++++ # peak 291 # SUP 1.99 HN ALA 93 - HA PRO 112 # SUP 0.02 Upper HN PHE 21 - HA2 GLY 30 3.91 6 0.44 1.59 + +++ * + # peak 312 # SUP 2.11 HN PHE 21 - HA PRO 31 # SUP 1.59 Upper HN PHE 21 - HN ILE 29 4.50 7 0.36 1.24 + + +++ * + # peak 314 # SUP 2.78 HN PHE 21 - HN LEU 23 # SUP 0.56 Upper HB VAL 94 - HN LYS+ 113 4.15 11 0.73 1.53 +++ ++++ + + *+ # peak 442 # SUP 1.88 HB3 GLU- 18 - HN LYS+ 113 # SUP 0.48 Upper HN LEU 90 - HG2 LYS+ 110 3.43 9 0.59 1.86 + ++ +++ * ++ # peak 491 # SUP 0.98 HB3 LEU 17 - HN LEU 90 # SUP 0.26 HN LEU 90 - HG3 LYS+ 110 # SUP 0.15 Upper QB ALA 91 - HN VAL 94 3.99 11 0.80 1.70 + ++ +*++ ++ ++ # peak 506 # SUP 2.73 Upper HA ALA 91 - HN VAL 94 3.10 17 0.95 1.60 + *++++++++++ +++++ # peak 507 # SUP 3.84 HA LEU 90 - HN VAL 94 # SUP 3.00 HA ARG+ 84 - HN VAL 94 # SUP 0.50 HN VAL 94 - HA2 GLY 114 # SUP 0.40 Upper HA LYS+ 72 - HN VAL 94 4.81 7 0.47 1.42 +++ * ++ + # peak 522 # SUP 0.98 HA LEU 17 - HN VAL 94 # SUP 0.02 HA LEU 17 - HN VAL 105 # SUP 0.02 Upper HA ASN 76 - HN VAL 80 3.86 12 0.80 1.77 ++ + +++ ++++ * + # peak 660 # SUP 0.73 HA SER 77 - HN VAL 80 # SUP 1.07 HN VAL 80 - HA CYS 123 # SUP 0.38 Upper HG LEU 67 - HN SER 69 3.92 6 0.44 1.93 + + + + +* # peak 666 # SUP 1.22 HG12 ILE 19 - HN SER 69 # SUP 0.46 QD1 ILE 19 - HN SER 69 # SUP 0.02 HN SER 69 - QG2 VAL 94 # SUP 0.02 Upper HN ILE 19 - HN PHE 34 4.50 7 0.51 1.20 + + + *+ ++ # peak 691 # SUP 4.36 HN LEU 17 - HN PHE 34 # SUP 1.12 Upper HN THR 46 - HB2 GLU- 50 4.37 7 0.55 1.48 + +++ * + + # peak 714 # SUP 1.66 Upper HG3 LYS+ 78 - HN LYS+ 81 3.49 18 1.14 1.59 +++++ +++++*+++ ++++ # peak 718 # SUP 3.01 Upper QG2 ILE 48 - HN VAL 65 3.72 9 0.58 1.46 +++ ++ + +* + # peak 742 # SUP 1.37 HN VAL 65 - HG LEU 67 # SUP 0.08 Upper HN GLU- 45 - HG12 ILE 68 3.93 6 0.34 0.92 + + *++ + # peak 750 # SUP 1.49 QG2 ILE 29 - HN GLU- 45 # SUP 1.09 HN GLU- 45 - QG2 VAL 62 # SUP 1.11 HG12 ILE 29 - HN GLU- 45 # SUP 0.58 HN GLU- 45 - HG3 LYS+ 63 # SUP 0.22 Upper HA2 GLY 26 - HN ASP- 28 3.44 7 0.45 1.12 + ++ + ++ * # peak 824 # SUP 1.62 HA1 GLY 26 - HN ASP- 28 # SUP 2.27 Upper HN GLY 30 - HN LYS+ 32 5.34 13 0.69 1.54 + ++ *+ ++ +++++ + # peak 919 # SUP 1.22 HN GLY 30 - HN SER 69 # SUP 0.02 Upper HN SER 41 - HA ALA 42 4.33 14 0.63 0.91 *+ + +++ +++ +++++ # peak 934 # SUP 1.31 HA GLU- 18 - HN SER 41 # SUP 1.17 Upper HN THR 24 - HA ASP- 115 3.94 8 0.60 1.75 + + + + ++ *+ # peak 1091 # SUP 2.47 HN THR 24 - HA PRO 116 # SUP 1.32 HN THR 24 - HA LYS+ 113 # SUP 1.01 Upper HN THR 24 - HB3 GLU- 50 4.16 10 0.60 1.19 ++ + +++++ *+ # peak 1093 # SUP 1.68 HN THR 24 - HB ILE 48 # SUP 0.26 Upper HB3 GLU- 50 - HE1 TRP 51 4.30 6 0.32 2.00 + ++* ++ # peak 1117 # SUP 2.45 HE1 TRP 51 - HB3 ARG+ 53 # SUP 1.45 Upper HN PHE 21 - HB ILE 29 4.71 10 0.73 1.99 + ++++ ++* ++ # peak 1144 # SUP 4.08 Upper HA ARG+ 22 - HN ILE 29 5.25 6 0.36 1.53 + + * ++ + # peak 1174 # SUP 1.31 Upper HN LEU 17 - HA SER 88 5.50 6 0.29 0.88 + *+++ + # peak 1189 # SUP 0.90 HA VAL 94 - HN THR 96 # SUP 2.09 HN LEU 17 - HA VAL 94 # SUP 0.28 HN ILE 19 - HA VAL 94 # SUP 0.48 Angle PHI ILE 19 239.00 273.00 10 10.20 44.65 + + ++++ ++* + Angle PSI ILE 19 124.00 144.00 7 4.11 17.69 *+ + + + + + Angle PHI LYS+ 20 204.00 242.00 9 7.17 30.27 + +++++ + + * Angle PSI LYS+ 20 128.00 162.00 13 8.10 30.77 ++++ +++ *++ ++ + Angle PHI PHE 21 237.00 261.00 14 12.04 32.08 ++ + +++*+ +++++ + Angle PSI PHE 21 106.00 132.00 13 11.43 38.86 + ++ +++++ ++* ++ Angle PHI ARG+ 22 225.00 267.00 11 12.61 45.30 + ++ + +++ +++* Angle PSI ARG+ 22 107.00 141.00 6 4.19 18.33 + + + + * + Angle PHI THR 24 276.00 298.00 10 5.64 19.89 + +++ ++ *+++ Angle PSI THR 24 313.00 345.00 11 5.68 19.91 ++++++++ + * + Angle PHI ASP- 25 248.00 276.00 8 4.57 18.27 + +++ ++ + * Angle PSI ASP- 25 359.00 25.00 6 3.25 7.28 + * + +++ Angle PHI ASP- 28 210.00 256.00 14 9.39 20.60 + ++++++ + ++*+++ Angle PSI ASP- 28 127.00 157.00 11 7.49 27.56 + ++++ + +++ * + Angle PHI ILE 29 214.00 268.00 13 8.73 35.74 + +++++++* + ++ + Angle PSI PRO 31 128.00 150.00 13 13.86 39.13 +++++++*++ ++ + Angle PHI LYS+ 32 205.00 253.00 16 17.42 48.23 +++*+++ ++++ ++ + ++ Angle PSI LYS+ 32 137.00 157.00 16 18.97 63.53 +++++++ ++ ++*++++ Angle PHI ALA 33 246.00 278.00 19 18.37 38.14 +++++*++++++++++++ + Angle PSI ALA 33 120.00 148.00 13 13.08 29.34 +++ + +++ ++++*+ Angle PHI PHE 34 222.00 260.00 10 6.22 28.86 +++ ++++ + *+ Angle PSI THR 38 113.00 153.00 6 3.16 12.66 + + * + ++ Angle PHI VAL 40 282.00 302.00 6 3.17 7.64 + * ++ + + Angle PSI VAL 40 319.00 339.00 12 5.95 15.98 ++ ++ ++ + + *+++ Angle PHI SER 41 281.00 301.00 8 4.78 16.71 + ++++ + *+ Angle PHI ALA 42 282.00 302.00 11 6.08 15.85 + + +++ * + ++++ Angle PSI ALA 42 314.00 334.00 6 5.01 20.67 ++ + * + + Angle PHI LEU 43 283.00 303.00 8 4.59 12.68 ++ + ++* + + Angle PSI LEU 43 314.00 338.00 12 6.83 18.08 ++++++ + ++*+ + Angle PSI LYS+ 44 314.00 10.00 9 7.72 27.64 + +++ ++* + + Angle PHI GLU- 45 283.00 303.00 16 10.27 27.19 ++ +++ ++++++++++* Angle PHI THR 46 286.00 306.00 14 9.27 23.07 ++ ++*++++ + + + ++ Angle PHI VAL 47 286.00 306.00 11 6.67 28.07 ++ + ++ ++ *++ + Angle PSI VAL 47 304.00 324.00 10 7.58 29.28 + + +++ + * +++ Angle PHI TRP 51 251.00 281.00 12 8.27 23.07 + ++ + ++ +++ *++ Angle PSI TRP 51 110.00 138.00 11 8.52 26.15 ++ ++ ++++* ++ Angle PHI ARG+ 53 285.00 305.00 7 4.18 17.61 + +++* + + Angle PSI ARG+ 53 314.00 334.00 18 14.99 34.54 ++++++ ++++*+++++++ Angle PHI GLU- 54 256.00 286.00 15 12.00 27.78 + ++ ++++++*+++ ++ Angle PHI THR 61 232.00 276.00 7 4.64 17.20 ++ + + + *+ Angle PHI VAL 62 289.00 309.00 7 3.85 11.55 + * + + +++ Angle PSI VAL 62 316.00 336.00 7 4.21 14.83 ++ + * + ++ Angle PHI VAL 65 225.00 259.00 8 5.82 25.12 + + *++ +++ Angle PSI VAL 65 92.00 130.00 17 14.47 43.51 +++++ +++*+ +++++++ Angle PHI LYS+ 66 235.00 281.00 11 11.54 41.05 ++++ *++ +++ + Angle PSI LYS+ 66 118.00 152.00 10 6.94 24.38 ++ +++ +* ++ + Angle PHI LEU 67 223.00 259.00 16 12.68 40.74 ++++++ +++*+++ + ++ Angle PSI LEU 67 135.00 155.00 16 17.23 43.41 +++++ +++ +* ++++ ++ Angle PHI ILE 68 227.00 253.00 17 20.42 57.42 +++ ++++++ ++*+++++ Angle PSI ILE 68 110.00 146.00 8 4.67 24.09 ++ +*+ + ++ Angle PHI SER 69 218.00 274.00 7 6.18 35.42 + * + + + + + Angle PSI SER 69 110.00 134.00 9 4.47 16.14 ++ +++ + + + * Angle PHI LYS+ 72 235.00 261.00 6 4.10 22.53 + + * + ++ Angle PSI LYS+ 72 116.00 150.00 10 6.68 20.55 ++++ ++ *++ + Angle PHI VAL 73 244.00 278.00 8 5.31 21.48 *++ + + + ++ Angle PSI VAL 73 107.00 137.00 8 5.09 17.72 ++ + +*+ + + Angle PSI ASN 76 320.00 344.00 7 3.70 10.02 + + ++ + * + Angle PHI THR 79 222.00 272.00 19 15.89 21.66 +*+++++++++++++ ++++ Angle PSI THR 79 148.00 174.00 13 8.37 27.13 +++++ * ++ + + + ++ Angle PHI VAL 80 284.00 304.00 13 5.55 12.08 + + ++ ++++++*++ Angle PSI VAL 80 313.00 333.00 20 14.12 18.74 ++++++*+++++++++++++ Angle PSI ARG+ 84 118.00 162.00 9 4.55 27.28 + + + ++ + + *+ Angle PHI SER 85 256.00 276.00 6 4.96 36.16 + + ++ *+ Angle PSI SER 85 113.00 153.00 7 5.34 23.39 * + + + + ++ Angle PHI LEU 90 254.00 298.00 11 7.93 23.82 + ++ ++ ++*++ + Angle PHI GLY 92 77.00 97.00 12 4.73 15.06 *+ + ++++ + +++ + Angle PSI GLY 92 349.00 11.00 20 20.98 30.24 +++++++++*++++++++++ Angle PHI ALA 93 251.00 297.00 20 38.22 53.74 +++++++++++++++++*++ Angle PSI ALA 93 109.00 151.00 20 30.18 48.07 +++++++++++++*++++++ Angle PHI VAL 94 245.00 279.00 12 11.25 41.24 + + + + ++ +* + +++ Angle PSI VAL 94 119.00 147.00 9 6.43 25.57 + + ++ + * +++ Angle PSI THR 95 113.00 139.00 13 16.77 53.62 ++++ +++ + + + +*+ Angle PHI THR 96 246.00 294.00 12 15.66 42.12 +++ ++++ + + *++ Angle PSI THR 96 116.00 146.00 17 17.37 43.12 ++ +++*++++++++++ + Angle PHI MET 97 248.00 292.00 15 13.65 31.37 + +++*++++ +++++ + Angle PSI MET 97 120.00 166.00 8 5.81 23.49 + + + + + +*+ Angle PSI HIS+ 98 121.00 149.00 18 31.01 71.92 ++++ ++++++++++++ *+ Angle PHI VAL 99 242.00 268.00 17 23.69 57.82 +++ +++++++ ++++++* Angle PSI VAL 99 121.00 143.00 19 25.46 60.34 ++++++++++*++++++++ Angle PHI ILE 100 227.00 273.00 18 21.16 55.84 +++++++ ++*+++ +++++ Angle PSI ILE 100 113.00 143.00 16 19.74 50.94 +++++ + ++*++++++ + Angle PHI ILE 101 252.00 274.00 10 9.65 37.70 + ++ + +*+ + ++ Angle PSI ILE 101 107.00 131.00 15 14.90 38.57 ++ ++ + ++++++++* + Angle PHI GLN 102 231.00 287.00 10 6.95 26.74 ++ + * + + + + + + Angle PSI GLN 102 122.00 152.00 12 7.91 35.66 +++* + +++ + ++ + 69 violated distance constraints. 85 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 7.08 +/- 1.16 A (5.96..10.88 A) Average heavy atom RMSD to mean : 7.20 +/- 0.74 A (5.83..8.60 A)