Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 449.96 24 258.0 3.02 301 167.3 0.86 78 1873.5 81.85 2 467.25 27 284.2 2.64 335 182.7 1.08 58 1446.8 71.55 3 468.31 33 270.1 2.64 328 175.0 1.04 70 1708.6 75.18 4 473.07 37 278.5 2.71 336 182.4 0.95 75 1632.2 58.20 5 475.36 34 275.2 2.74 290 167.1 1.04 73 1742.5 56.34 6 476.43 34 265.0 3.57 311 177.7 1.18 74 1697.6 87.95 7 482.38 32 266.5 2.55 302 162.2 0.96 80 1953.3102.17 8 491.02 42 286.8 3.51 283 153.4 1.28 69 1435.1 67.43 9 494.25 42 270.8 2.84 334 176.6 0.96 66 1742.6 70.33 10 495.47 35 271.4 2.31 340 188.1 1.16 73 1844.2 79.11 11 497.12 38 274.5 3.01 327 188.7 1.02 71 1757.9 79.51 12 501.61 39 285.2 2.93 315 178.6 0.98 77 1729.8 91.16 13 505.53 36 274.3 3.73 321 173.3 0.96 70 1656.4 67.12 14 506.46 37 277.4 3.55 337 181.1 1.35 69 1728.7 69.01 15 506.79 35 281.9 2.58 364 193.9 0.84 72 1744.5 73.54 16 509.35 38 288.7 3.15 381 200.7 1.21 72 1487.5 69.05 17 509.37 38 285.8 2.49 372 193.3 0.99 77 1790.9 84.05 18 509.86 34 291.0 2.95 347 192.2 1.00 71 1684.3 70.89 19 511.13 38 290.6 2.84 339 184.6 1.07 71 1549.5 92.85 20 511.75 31 281.6 2.92 341 190.9 1.10 80 1911.8 86.46 Ave 492.12 35 277.9 2.93 330 180.5 1.05 72 1705.9 76.69 +/- 17.80 4 8.9 0.38 25 11.6 0.13 5 139.1 11.40 Min 449.96 24 258.0 2.31 283 153.4 0.84 58 1435.1 56.34 Max 511.75 42 291.0 3.73 381 200.7 1.35 80 1953.3102.17 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 1.50 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA SER 88 - QB ALA 91 3.97 6 1.08 2.63 + + + + *+ # peak 818 # SUP 0.53 HG13 ILE 19 - HA SER 88 # SUP 0.64 HG LEU 74 - HA SER 88 # SUP 0.56 HB3 LYS+ 20 - HA SER 88 # SUP 0.29 HB2 LYS+ 20 - HA SER 88 # SUP 0.27 HG3 LYS+ 20 - HA SER 88 # SUP 0.29 HG2 LYS+ 78 - HA SER 88 # SUP 0.02 Upper HA ARG+ 53 - HB3 GLU- 54 3.05 15 1.67 2.32 ++++ ++++ +++++*+ # peak 938 # SUP 1.42 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.49 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HG2 GLU- 18 - HA ARG+ 53 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 HB3 GLN 16 - HA ARG+ 53 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 3.01 14 1.42 1.65 ++++++ +++++ + + * # peak 991 # SUP 1.32 HA SER 85 - HB2 PRO 86 # SUP 2.97 HA SER 85 - HB3 PRO 86 # SUP 3.71 HG3 GLU- 64 - HA GLU- 75 # SUP 0.15 HA GLU- 56 - HA1 GLY 58 # SUP 1.91 HA ARG+ 84 - HB2 PRO 86 # SUP 0.49 HA1 GLY 58 - HA ARG+ 84 # SUP 0.68 HA1 GLY 58 - HA LYS+ 108 # SUP 0.59 HA GLU- 56 - HB3 PRO 86 # SUP 0.71 Upper HA ASN 89 - HA ALA 91 3.64 18 2.30 2.84 ++++++++++++++ ++*+ # peak 1245 # SUP 1.82 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.15 9 1.31 1.77 ++ ++ + ++ * + # peak 1246 # SUP 1.82 HA ALA 91 - HA ALA 93 # SUP 0.11 HA ALA 91 - HA1 GLY 114 # SUP 0.02 Upper HB3 LEU 67 - HG LEU 74 3.45 6 1.27 2.35 ++ +++* # peak 1365 # SUP 4.68 HB3 LEU 67 - HB ILE 68 # SUP 2.39 Upper HB ILE 19 - HN MET 97 3.79 7 0.97 2.45 ++++ * + + # peak 1513 # SUP 3.09 HN LEU 17 - HB ILE 19 # SUP 1.02 HB ILE 19 - HN THR 96 # SUP 2.11 HB ILE 19 - HN ARG+ 22 # SUP 0.48 HB ILE 19 - HN PHE 21 # SUP 0.51 Upper HG3 GLU- 50 - HA ASN 89 3.49 9 1.51 3.30 + +*+ + ++ ++ # peak 1833 # SUP 2.03 HG3 GLU- 50 - HA PRO 52 # SUP 0.19 Upper HA VAL 73 - HB3 MET 97 3.95 13 1.51 2.10 + *+++ + +++++++ # peak 1912 # SUP 0.73 HA ASN 89 - HB3 MET 97 # SUP 0.84 HB THR 24 - HB3 MET 97 # SUP 0.25 HA LYS+ 66 - HB3 MET 97 # SUP 0.33 HB3 MET 97 - HA VAL 99 # SUP 0.40 HB3 MET 97 - HA LYS+ 111 # SUP 0.02 Upper HG3 ARG+ 84 - HA ASN 89 3.73 8 1.32 2.64 ++ ++ + * ++ # peak 2535 # SUP 2.68 HG3 ARG+ 84 - HA LEU 90 # SUP 0.77 HG3 ARG+ 84 - HA THR 106 # SUP 0.68 HG3 ARG+ 84 - HA SER 85 # SUP 1.00 HA PRO 52 - HG3 ARG+ 84 # SUP 0.45 HA VAL 73 - HG3 ARG+ 84 # SUP 0.08 HG3 ARG+ 84 - HA ALA 91 # SUP 0.26 Upper QG1 VAL 99 - QD1 ILE 101 3.06 6 1.01 2.17 + + + + *+ # peak 3024 # SUP 0.71 QD1 LEU 23 - QG1 VAL 99 # SUP 0.48 Upper HA LYS+ 60 - HB THR 61 2.54 17 2.07 3.57 +++++*+++++++ ++++ # peak 3343 # SUP 1.55 HB THR 61 - HA ASN 89 # SUP 0.29 HB THR 61 - HA VAL 73 # SUP 0.02 HA THR 38 - HB THR 61 # SUP 0.02 Upper QD TYR 83 - HG3 ARG+ 84 3.62 6 0.99 2.17 + ++ + * + # peak 551 # SUP 2.78 HD3 LYS+ 55 - QD TYR 83 # SUP 0.43 HB2 HIS+ 8 - QD TYR 83 # SUP 0.27 QD TYR 83 - HB3 MET 126 # SUP 0.09 QD TYR 83 - HB VAL 99 # SUP 0.02 Upper QE PHE 21 - QB ALA 103 3.73 8 1.12 2.69 + * + + + + ++ # peak 570 # SUP 1.11 QE PHE 21 - HG LEU 74 # SUP 2.03 HG3 LYS+ 20 - QE PHE 21 # SUP 1.39 HB2 LEU 17 - QE PHE 21 # SUP 0.56 Upper HN LYS+ 66 - HA ASN 89 3.30 13 1.65 2.70 + + +* ++++ ++ ++ + # peak 23 # SUP 0.61 HA GLU- 64 - HN LYS+ 66 # SUP 0.56 HN LYS+ 66 - HA MET 126 # SUP 0.25 HN LYS+ 66 - HA VAL 73 # SUP 0.08 Upper HN MET 97 - HA HIS+ 98 3.66 12 1.56 2.37 + +*+++++ + +++ # peak 71 # SUP 1.26 HA ALA 33 - HN MET 97 # SUP 0.89 Upper HA ASN 89 - HN THR 96 3.60 9 1.35 2.55 + +++ + *+ + + # peak 161 # SUP 1.91 HA ASN 15 - HN LEU 17 # SUP 1.54 HN THR 96 - HA LYS+ 113 # SUP 0.37 HN THR 96 - HA PRO 116 # SUP 0.27 HN LEU 17 - HA ASN 89 # SUP 0.97 HN ARG+ 22 - HA LYS+ 113 # SUP 0.32 HN THR 96 - HA ASP- 115 # SUP 0.09 HN ARG+ 22 - HA PRO 116 # SUP 0.35 HA ASN 15 - HN ARG+ 22 # SUP 0.34 HN ARG+ 22 - HA ASP- 115 # SUP 0.31 HN LEU 17 - HA GLU- 107 # SUP 0.21 Upper HN THR 96 - HB3 MET 97 4.50 6 1.24 2.05 + + *+ + + # peak 191 # SUP 1.58 HN THR 96 - HB3 MET 126 # SUP 0.29 HB2 LEU 67 - HN THR 96 # SUP 0.24 HB2 HIS+ 8 - HN THR 96 # SUP 0.11 HB3 ARG+ 22 - HN THR 96 # SUP 0.02 Upper HG3 PRO 31 - HN VAL 73 3.20 6 1.20 2.22 + + + * ++ # peak 218 # SUP 0.58 HN VAL 73 - HB2 GLU- 75 # SUP 0.15 HN VAL 73 - HB2 PRO 116 # SUP 0.20 HN VAL 73 - HG3 PRO 104 # SUP 0.50 HB ILE 29 - HN VAL 73 # SUP 0.18 HB3 LYS+ 55 - HN VAL 73 # SUP 0.02 HN VAL 73 - HG3 PRO 116 # SUP 0.02 HN VAL 73 - HG2 PRO 112 # SUP 0.02 HB VAL 13 - HN VAL 73 # SUP 0.02 HN VAL 73 - HB VAL 122 # SUP 0.02 HN VAL 73 - HB3 GLU- 109 # SUP 0.02 Upper HA ASN 89 - HN ALA 93 3.48 6 1.13 2.39 + + ++ + * # peak 291 # SUP 1.77 HA LEU 90 - HN ALA 93 # SUP 1.25 HA VAL 73 - HN ALA 93 # SUP 0.75 Upper HN ILE 68 - HN HIS+ 98 4.26 6 1.33 2.71 + * + + ++ # peak 460 # SUP 0.45 HN ILE 68 - HN ALA 70 # SUP 0.99 Upper HA SER 77 - HN VAL 80 3.50 8 1.46 2.16 * + ++++ + + # peak 660 # SUP 0.85 HA ASN 76 - HN VAL 80 # SUP 0.58 HA VAL 73 - HN VAL 80 # SUP 1.01 HN VAL 80 - HA CYS 123 # SUP 0.42 HN VAL 80 - HA ASN 89 # SUP 0.46 HA LYS+ 55 - HN VAL 80 # SUP 0.41 HB THR 46 - HN VAL 80 # SUP 0.30 Upper QG2 ILE 48 - HN VAL 65 3.37 9 1.43 2.95 + ++ +++ + +* # peak 742 # SUP 0.62 HG2 PRO 59 - HN VAL 65 # SUP 0.46 HN VAL 65 - QG2 ILE 101 # SUP 0.45 HB2 LEU 9 - HN VAL 65 # SUP 0.36 HN VAL 65 - HG LEU 67 # SUP 0.36 QD2 LEU 9 - HN VAL 65 # SUP 0.28 Upper HA ASN 89 - HA VAL 94 2.78 7 1.15 2.74 + + + ++ * + # peak 3856 # SUP 2.88 HA ASN 89 - HA THR 106 # SUP 0.66 HA ILE 29 - HA ASN 89 # SUP 0.33 HA VAL 73 - HA VAL 94 # SUP 1.80 HA VAL 73 - HA THR 106 # SUP 1.12 HA LYS+ 44 - HA VAL 94 # SUP 0.47 HA GLU- 12 - HA THR 106 # SUP 0.02 HA GLU- 64 - HA VAL 94 # SUP 0.10 QD1 LEU 9 - HN SER 41 # SUP 2.37 QD1 LEU 9 - HN ALA 33 # SUP 0.75 QD1 LEU 9 - HN LYS+ 120 # SUP 0.55 QD1 LEU 9 - HN ASN 119 # SUP 0.44 QD1 LEU 9 - HN GLU- 45 # SUP 0.40 Upper HN ILE 48 - HB3 LEU 67 2.67 9 1.34 3.01 ++ + *+ + + + + # peak 1114 # SUP 2.20 HN ILE 48 - HG LEU 74 # SUP 1.29 HZ2 TRP 51 - HG LEU 90 # SUP 0.43 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HB3 MET 97 # SUP 1.51 HB2 HIS+ 8 - QD1 ILE 19 # SUP 0.02 Upper QD1 ILE 48 - HB3 LEU 67 2.81 8 1.22 3.15 + + + + *+++ # peak 3453 # SUP 2.40 QD1 ILE 48 - HG LEU 74 # SUP 1.68 QD1 ILE 48 - QB ALA 70 # SUP 0.16 HG2 LYS+ 32 - HN GLY 58 # SUP 1.32 HG2 LYS+ 32 - HN SER 49 # SUP 1.25 HG2 LYS+ 32 - HN LYS+ 81 # SUP 0.25 HG2 LYS+ 32 - HN ASP- 115 # SUP 0.52 HG2 LYS+ 32 - HN LEU 67 # SUP 0.11 Upper QG2 ILE 48 - HG LEU 74 3.20 6 1.18 2.26 ++ + + + * # peak 160 # SUP 2.74 QG2 ILE 48 - HB3 LEU 67 # SUP 2.75 HN LYS+ 20 - QG2 VAL 94 # SUP 1.25 HN SER 85 - QG2 VAL 94 # SUP 1.36 HN VAL 80 - QG2 VAL 94 # SUP 0.08 Upper HB ILE 68 - HG LEU 74 3.36 6 1.14 2.61 + * +++ + # peak 760 # SUP 2.48 HB ILE 68 - QG2 VAL 122 # SUP 0.59 HB ILE 68 - QG1 VAL 122 # SUP 0.60 HB ILE 68 - QD1 LEU 90 # SUP 0.12 HN GLU- 45 - HN LYS+ 63 # SUP 1.57 HN GLU- 45 - HN ALA 93 # SUP 0.54 HN GLU- 45 - HN LYS+ 55 # SUP 0.32 Upper HN LEU 43 - QD2 LEU 74 3.42 9 1.30 3.55 +++ + + +*+ + # peak 3496 # SUP 1.22 HG LEU 17 - HN ILE 29 # SUP 1.19 Upper QD1 ILE 48 - HG3 GLU- 56 3.94 6 1.01 2.05 + + + ++* # peak 3461 # SUP 1.86 HG12 ILE 48 - HG3 GLU- 56 # SUP 0.69 HG13 ILE 48 - HG3 GLU- 56 # SUP 1.47 HG2 LYS+ 32 - HN LYS+ 55 # SUP 1.67 HN LYS+ 55 - QB ALA 103 # SUP 0.77 HG2 LYS+ 32 - HN LYS+ 63 # SUP 0.02 Upper HG LEU 74 - HN VAL 122 3.28 6 1.24 3.73 + +*+ + + # peak 1029 # SUP 1.83 HB2 LEU 74 - HN VAL 122 # SUP 1.77 HB2 LEU 74 - HN CYS 121 # SUP 1.85 HG LEU 74 - HN CYS 121 # SUP 1.82 HB ILE 68 - HN VAL 122 # SUP 0.63 HB ILE 68 - HN CYS 121 # SUP 0.58 HN GLY 26 - HA ASN 89 # SUP 2.03 HN GLY 26 - HA ILE 48 # SUP 0.49 HN GLY 26 - HB3 SER 69 # SUP 0.23 Upper HG12 ILE 19 - HA ASN 89 3.74 8 1.05 2.66 +++* + + ++ # peak 1748 # SUP 2.45 HG12 ILE 19 - HB THR 95 # SUP 1.30 HG12 ILE 19 - HA LYS+ 44 # SUP 0.90 HG LEU 74 - HB ILE 100 # SUP 2.36 Upper HA ASN 89 - HN THR 96 2.89 6 1.10 2.81 *++ +++ # peak 2972 # SUP 1.91 HA VAL 73 - HN THR 96 # SUP 0.95 HA SER 88 - HN THR 96 # SUP 0.54 HA LYS+ 60 - HN THR 96 # SUP 0.08 HN LEU 17 - HA VAL 73 # SUP 0.81 HN LEU 17 - HA ASN 89 # SUP 0.97 QG2 THR 24 - HA PRO 116 # SUP 1.95 QG2 THR 24 - HA LYS+ 113 # SUP 0.74 QG2 THR 24 - HA ASP- 115 # SUP 1.55 HA ASN 15 - QG2 THR 24 # SUP 0.83 QG2 THR 24 - HA ASN 89 # SUP 0.87 Upper HG13 ILE 19 - HA ASN 89 3.68 9 1.50 3.50 + + + * ++++ + # peak 420 # SUP 1.86 HG13 ILE 19 - HA LYS+ 44 # SUP 0.66 HG13 ILE 19 - HB2 SER 88 # SUP 0.21 HD3 LYS+ 32 - HN LYS+ 55 # SUP 1.15 HB3 LYS+ 32 - HN LYS+ 55 # SUP 0.75 HN LYS+ 55 - HG3 LYS+ 110 # SUP 0.28 HN LYS+ 55 - HG2 LYS+ 110 # SUP 0.29 HB3 LEU 17 - HN LYS+ 55 # SUP 0.13 Angle PHI LEU 17 229.00 273.00 9 6.65 40.53 + + ++ +*+++ Angle PSI LEU 17 116.00 146.00 16 27.49 78.69 *+++++++ +++ ++++ + Angle PHI ILE 19 239.00 273.00 18 19.12 69.44 +++++++++* ++++ ++++ Angle PSI ILE 19 124.00 144.00 16 29.32 69.05 +++ +++++++ + *++++ Angle PHI LYS+ 20 204.00 242.00 18 32.70 72.55 +++ +++++++*++ +++++ Angle PSI LYS+ 20 128.00 162.00 15 17.98 71.09 +++ ++*+ ++++++++ Angle PHI PHE 21 237.00 261.00 15 25.49 62.83 +++ +++ +*+ ++++++ Angle PSI PHE 21 106.00 132.00 17 33.02 92.85 ++++++++ +++++++ *+ Angle PHI ARG+ 22 225.00 267.00 12 18.23 73.54 + ++ + +++ + *+ ++ Angle PSI ARG+ 22 107.00 141.00 12 12.64 37.05 ++ ++ + ++ + +++ * Angle PHI THR 24 276.00 298.00 14 10.03 36.58 + + ++ + +*++++++ + Angle PSI THR 24 313.00 345.00 7 6.21 23.89 +*+ + + + + Angle PHI ASP- 25 248.00 276.00 13 9.28 27.68 ++++ + + +*+++ ++ Angle PSI ASP- 25 359.00 25.00 14 12.77 37.17 +*+ ++++++ +++++ Angle PHI ASP- 28 210.00 256.00 13 8.32 25.07 ++ ++++++ + *+++ Angle PSI ASP- 28 127.00 157.00 10 9.24 34.59 + * ++ +++ + ++ Angle PHI ILE 29 214.00 268.00 10 11.68 59.64 + +++*+ + + + + Angle PSI ILE 29 109.00 149.00 11 14.75 56.29 ++ +*+ ++ ++++ Angle PSI PRO 31 128.00 150.00 16 17.16 50.28 + +++ *+++++++++++ Angle PHI LYS+ 32 205.00 253.00 10 9.93 30.60 + ++ +++ ++ + * Angle PSI LYS+ 32 137.00 157.00 15 22.07 81.85 *++++++ ++++++ ++ Angle PHI ALA 33 246.00 278.00 17 23.03 52.94 ++++++ *++++++ ++++ Angle PSI ALA 33 120.00 148.00 13 11.73 30.56 + + + +++*++++ ++ Angle PHI PHE 34 222.00 260.00 6 6.07 37.52 * +++ + + Angle PSI PHE 34 116.00 164.00 13 9.71 22.11 ++*+ + ++ + +++++ Angle PSI PRO 35 119.00 149.00 15 7.58 12.05 + +++ + ++++*+++ ++ Angle PHI THR 38 261.00 293.00 8 4.97 15.77 * + + ++++ + Angle PSI THR 38 113.00 153.00 12 6.63 17.15 + ++++ ++ +++* + Angle PHI VAL 40 282.00 302.00 8 5.61 44.48 + + *++ + ++ Angle PSI VAL 40 319.00 339.00 12 9.38 39.99 + +++++++*+ + + Angle PHI SER 41 281.00 301.00 14 8.89 31.49 + + ++ ++ *++++ +++ Angle PSI SER 41 309.00 329.00 14 12.41 42.02 ++ ++++ +*++ + ++ + Angle PHI ALA 42 282.00 302.00 10 10.00 51.68 + + +++ *+ +++ Angle PSI ALA 42 314.00 334.00 16 17.24 47.07 + ++ + +++++ +++*+++ Angle PHI LEU 43 283.00 303.00 12 11.44 48.56 + ++ ++ ++ + +*+ + Angle PSI LEU 43 314.00 338.00 14 17.18 44.33 + +*++ ++ +++++ ++ Angle PHI LYS+ 44 263.00 301.00 11 11.43 39.93 +++ + ++ + +*+ + Angle PSI LYS+ 44 314.00 10.00 19 39.06 91.16 +++++++++++*++++ +++ Angle PHI GLU- 45 283.00 303.00 13 15.48 37.58 *++ + + ++++ +++ + Angle PSI GLU- 45 311.00 337.00 12 15.77 60.39 +*++++ + + ++++ Angle PHI THR 46 286.00 306.00 15 18.52 65.39 +++ ++ +++++ ++ *++ Angle PSI THR 46 307.00 333.00 12 13.41 49.51 *+ +++ ++ + ++++ Angle PHI VAL 47 286.00 306.00 14 15.69 48.19 ++ + + ++ + ++ +++*+ Angle PSI VAL 47 304.00 324.00 10 11.05 42.38 + + +++*+ + ++ Angle PHI ILE 48 291.00 311.00 14 13.01 26.69 + +* ++ +++ ++ ++++ Angle PSI ILE 48 308.00 328.00 11 9.46 37.86 +++ ++ ++* +++ Angle PHI TRP 51 251.00 281.00 12 9.07 30.78 + + ++++ +* ++++ Angle PSI TRP 51 110.00 138.00 9 9.77 42.42 ++ + + +*+ + + Angle PHI ARG+ 53 285.00 305.00 10 6.72 34.18 ++ ++++ + ++* Angle PSI ARG+ 53 314.00 334.00 18 25.10 67.12 +++++++++ ++*++++ ++ Angle PHI GLU- 54 256.00 286.00 19 25.18 62.95 ++++++*+++++++++ +++ Angle PSI GLU- 54 331.00 13.00 11 7.89 27.77 +++++ ++ + * ++ Angle PHI THR 61 232.00 276.00 17 16.90 42.37 + +++++ ++++++++*++ Angle PSI THR 61 147.00 175.00 12 11.91 41.51 +* ++ ++ +++++ + Angle PHI VAL 62 289.00 309.00 10 9.60 35.42 ++ +++ ++ + + * Angle PSI VAL 62 316.00 336.00 10 7.94 35.00 + ++*+ + +++ + Angle PHI VAL 65 225.00 259.00 6 5.45 28.11 + + *+ + + Angle PSI VAL 65 92.00 130.00 17 23.23 50.89 ++++ +*+++++++++++ Angle PHI LYS+ 66 235.00 281.00 16 21.27 44.33 + ++++ ++ *+++++++ + Angle PSI LYS+ 66 118.00 152.00 11 10.54 32.24 + + *+++ ++ ++ + Angle PHI LEU 67 223.00 259.00 17 14.60 40.23 + ++++*++++++++ + ++ Angle PSI LEU 67 135.00 155.00 15 20.20 53.58 + ++++++++++ ++ + * Angle PHI ILE 68 227.00 253.00 19 22.04 44.42 ++++*++++++++++++++ Angle PSI ILE 68 110.00 146.00 14 14.88 48.28 + ++ +++++++ * +++ Angle PHI SER 69 218.00 274.00 14 16.83 64.04 ++++ + +++ +++++ * Angle PSI SER 69 110.00 134.00 19 23.68 44.64 ++++++++++++*+++++ + Angle PHI LYS+ 72 235.00 261.00 10 10.52 37.33 + + + ++ + *+ ++ Angle PSI LYS+ 72 116.00 150.00 15 15.59 37.74 + + + +++ ++*+++ +++ Angle PHI VAL 73 244.00 278.00 11 9.72 44.90 + * + + + ++ ++ ++ Angle PSI VAL 73 107.00 137.00 15 15.20 38.70 + *+ +++ ++ +++++++ Angle PHI ASN 76 276.00 300.00 8 6.17 29.04 + + ++ + * ++ Angle PSI ASN 76 320.00 344.00 8 6.30 25.31 * + + ++ + + + Angle PHI THR 79 222.00 272.00 13 5.65 13.81 +++++ +++ ++ + * + Angle PSI THR 79 148.00 174.00 15 18.83 49.62 ++++ *+++++ +++ + + Angle PHI VAL 80 284.00 304.00 7 6.20 45.24 + + + + + * + Angle PSI VAL 80 313.00 333.00 9 6.01 30.15 ++ +*+++++ Angle PHI LYS+ 81 287.00 307.00 10 7.56 24.87 + *++ ++ + + ++ Angle PSI LYS+ 81 309.00 331.00 7 6.17 40.65 + + + + + * + Angle PHI ARG+ 84 239.00 303.00 9 7.94 29.97 + +* ++ + +++ Angle PSI ARG+ 84 118.00 162.00 12 10.95 53.65 *++ ++ +++ + ++ + Angle PHI SER 85 256.00 276.00 9 9.31 36.21 + ++ + + +++ * Angle PSI SER 85 113.00 153.00 8 9.37 39.47 +* + +++ ++ Angle PHI LEU 90 254.00 298.00 13 13.25 61.94 + ++ ++++++ *+ + + Angle PSI LEU 90 119.00 151.00 20 48.82 65.24 +++++++++++*++++++++ Angle PHI GLY 92 77.00 97.00 12 12.69 44.28 + +*+ + + +++ + + + Angle PSI GLY 92 349.00 11.00 12 15.30 54.17 + +*+ +++ ++ +++ Angle PHI ALA 93 251.00 297.00 18 27.22 68.10 +++++++++ ++++*+ +++ Angle PSI ALA 93 109.00 151.00 14 19.94 48.09 + + +++ *+ +++ ++++ Angle PHI VAL 94 245.00 279.00 13 11.76 36.86 + + ++ +++* ++ +++ Angle PSI VAL 94 119.00 147.00 12 13.06 40.74 + ++++++ + + * + + Angle PHI THR 95 219.00 273.00 9 8.58 30.67 ++ +++ + +*+ Angle PSI THR 95 113.00 139.00 19 24.08 45.27 +++++++++++ *+++++++ Angle PHI THR 96 246.00 294.00 15 23.25 43.81 + + +++++++++++*+ Angle PSI THR 96 116.00 146.00 19 45.94 87.95 +++++*+++++++ ++++++ Angle PHI MET 97 248.00 292.00 16 21.93 61.41 ++++ ++++ +++ +*+++ Angle PSI MET 97 120.00 166.00 17 20.27 79.11 + + +++++*+ ++++++++ Angle PHI HIS+ 98 248.00 288.00 16 19.98 68.36 +++++++++ ++ *++ ++ Angle PSI HIS+ 98 121.00 149.00 16 41.37 102.17 ++ +++*++++ ++ +++ + Angle PHI VAL 99 242.00 268.00 16 25.40 58.20 ++ *+++++ +++ +++++ Angle PSI VAL 99 121.00 143.00 19 25.14 54.44 ++++++++*++++ ++++++ Angle PHI ILE 100 227.00 273.00 16 23.32 70.01 + ++++++*++ ++++ ++ Angle PSI ILE 100 113.00 143.00 16 24.93 75.18 ++*+ ++++++++ ++++ Angle PHI ILE 101 252.00 274.00 14 23.91 53.69 ++ +++ +++++++ *+ Angle PSI ILE 101 107.00 131.00 13 17.46 57.13 + + + ++++++ *+++ Angle PHI GLN 102 231.00 287.00 13 16.31 45.36 ++ *++ + + +++++ + Angle PSI GLN 102 122.00 152.00 9 8.82 36.36 ++ * + +++ ++ Angle PHI VAL 105 255.00 287.00 13 9.53 20.65 +++ +*+ +++++++ Angle PSI VAL 105 109.00 151.00 6 5.67 28.77 + * + + ++ Angle PHI THR 106 251.00 289.00 10 6.90 27.88 + ++++ +++ * + Angle PSI THR 106 112.00 150.00 8 4.36 11.18 * + + +++++ 34 violated distance constraints. 110 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 8.01 +/- 1.49 A (5.69..11.21 A) Average heavy atom RMSD to mean : 8.57 +/- 1.52 A (6.21..11.58 A)