Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 184.95 33 130.0 2.67 77 60.3 0.77 63 1214.9158.36 2 197.12 40 129.8 2.59 86 61.7 0.61 69 1302.4131.37 3 199.15 31 126.6 2.49 102 69.3 0.75 78 1482.8148.63 4 207.89 36 129.5 2.57 110 72.0 0.79 62 1302.7103.70 5 207.93 36 138.1 2.50 102 69.5 0.66 67 1304.5129.41 6 215.50 44 138.9 3.02 110 71.7 0.63 70 1269.3125.82 7 219.16 43 140.6 3.44 149 86.8 0.68 84 1543.8 74.00 8 233.19 53 166.3 2.70 122 80.8 1.08 75 1315.7 86.19 9 240.56 51 155.4 2.37 121 80.8 0.75 71 1538.5107.00 10 240.63 39 138.0 2.83 166 94.8 0.72 74 1626.0103.49 11 247.81 50 150.2 2.68 120 78.2 0.87 74 1547.8125.92 12 250.99 47 150.3 2.72 147 90.4 0.89 68 1520.5106.71 13 253.20 44 149.1 2.42 166 93.7 0.87 81 1675.8 77.55 14 256.52 44 170.6 2.45 153 99.1 0.92 81 1532.8127.42 15 256.58 54 161.6 2.63 191 103.7 0.78 70 1373.4134.41 16 260.82 51 154.0 2.73 127 82.6 0.91 76 1668.2122.00 17 262.67 51 163.4 2.40 176 101.9 0.70 72 1432.4138.27 18 263.37 60 164.6 2.63 159 95.3 1.17 68 1441.0125.42 19 263.72 41 155.1 2.73 190 108.3 0.87 72 1607.2145.62 20 265.32 51 166.5 2.17 168 101.9 0.76 82 1710.3100.78 Ave 236.35 45 148.9 2.64 137 85.1 0.81 73 1470.5118.60 +/- 25.51 8 13.8 0.26 33 14.2 0.14 6 146.6 22.52 Min 184.95 31 126.6 2.17 77 60.3 0.61 62 1214.9 74.00 Max 265.32 60 170.6 3.44 191 108.3 1.17 84 1710.3158.36 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.90 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HN PHE 36 - HB3 PRO 37 4.57 10 0.85 1.36 + ++ + ++*++ + # peak 1068 # SUP 3.74 HN PHE 36 - HG2 MET 54 # SUP 0.02 HN PHE 36 - QB ARG+ 88 # SUP 0.02 HB2 LYS+ 11 - HN PHE 36 # SUP 0.02 Upper HN VAL 40 - HA LEU 42 5.50 11 1.01 2.06 + + ++ *+ +++ ++ # peak 1094 # SUP 1.53 HN VAL 40 - HA THR 91 # SUP 0.97 Upper HN LEU 43 - HA GLN 83 4.95 18 2.08 2.75 ++++++* +++ ++++++++ # peak 1124 # SUP 1.17 HA VAL 40 - HN LEU 43 # SUP 0.02 HN LEU 43 - HA LYS+ 56 # SUP 0.02 Upper HA LEU 42 - HN ASP- 44 4.87 16 1.04 1.43 +++ *+ ++++ +++ ++++ # peak 1139 # SUP 3.07 HN ASP- 44 - HA THR 91 # SUP 0.25 Upper HN ARG+ 48 - HN TRP 50 5.17 10 0.89 1.34 +++ +++ + +*+ # peak 1161 # SUP 3.24 Upper HN ARG+ 53 - QB MET 54 4.73 8 0.67 1.21 ++ ++ +*++ # peak 1195 # SUP 3.61 HB3 PRO 33 - HN ARG+ 53 # SUP 0.54 HB VAL 7 - HN ARG+ 53 # SUP 0.41 HN ARG+ 53 - QB PHE 70 # SUP 0.02 Upper HN ASN 69 - HA LYS+ 72 5.50 17 1.11 1.60 +++++*+++++ ++++++ # peak 1368 # SUP 3.22 Upper HG LEU 42 - HN TYR 93 5.50 6 0.58 1.39 + ++ + +* # peak 1657 # SUP 3.72 QE MET 10 - HN TYR 93 # SUP 0.63 HB3 ARG+ 90 - HN TYR 93 # SUP 0.13 Upper QB ALA 34 - HN PHE 36 4.25 7 0.49 1.32 + ++ + +*+ # peak 1476 # SUP 3.57 QB ALA 34 - HN THR 91 # SUP 0.02 Upper QB ALA 34 - HB2 PRO 37 4.08 8 0.70 1.40 + + ++ + *+ + # peak 1479 # SUP 3.73 Upper QB ALA 34 - HB3 PRO 37 3.90 11 1.03 1.97 + +++ +++ +*+ + # peak 1480 # SUP 3.73 QB ALA 34 - QB ARG+ 88 # SUP 0.02 Upper HB3 SER 15 - HN LYS+ 17 4.19 16 1.04 1.42 ++++ ++ +++++ +*+++ # peak 1684 # SUP 7.43 Upper HN ILE 14 - HB3 SER 15 4.11 15 1.24 2.28 +++++++* + ++ + ++ + # peak 1685 # SUP 3.19 HB3 SER 15 - HN SER 49 # SUP 0.02 Upper HB2 SER 15 - HN LYS+ 17 3.99 8 0.89 1.41 * + +++ +++ # peak 1689 # SUP 5.57 Upper HB2 SER 18 - HA SER 19 3.83 6 0.74 1.29 ++ ++ + * # peak 1841 # SUP 3.34 HB2 SER 18 - HA PRO 25 # SUP 0.92 HA SER 19 - HA LEU 22 # SUP 1.63 HA LEU 22 - HA PRO 25 # SUP 0.02 Upper HG2 PRO 33 - HD3 PRO 35 4.05 6 0.64 1.83 + ++ + * + # peak 1958 # SUP 5.06 HD3 PRO 35 - HB2 ARG+ 53 # SUP 0.24 HD3 PRO 35 - HG3 MET 54 # SUP 0.85 Upper HB3 PRO 33 - HD3 PRO 35 3.61 11 0.90 2.07 + ++ ++ *++++ + # peak 1959 # SUP 5.14 HG3 PRO 33 - HD3 PRO 35 # SUP 4.91 HD3 PRO 35 - QB MET 54 # SUP 0.85 Upper QB PHE 32 - HD3 PRO 35 4.40 8 0.71 2.17 + + +++ + + * # peak 1960 # SUP 4.96 Upper QB PHE 32 - HD2 PRO 35 4.26 6 0.57 1.28 + + *+ + + # peak 1964 # SUP 3.01 HD2 PRO 35 - HB2 PHE 92 # SUP 0.02 HB2 PHE 9 - HD2 PRO 35 # SUP 0.02 Upper HG2 PRO 33 - HD2 PRO 35 3.84 9 0.70 1.69 +*+ + ++ + ++ # peak 1967 # SUP 3.64 HD2 PRO 35 - HB2 ARG+ 53 # SUP 0.88 HD2 PRO 35 - HG3 MET 54 # SUP 0.75 Upper HD2 PRO 33 - HD3 PRO 35 4.80 9 0.85 1.72 + ++ ++ * +++ # peak 1975 # SUP 3.24 HG2 MET 1 - HD2 PRO 33 # SUP 0.02 Upper QB PHE 32 - HA ALA 34 4.95 9 0.88 1.73 * ++ +++ +++ # peak 1995 # SUP 3.38 QB PHE 32 - HA ARG+ 53 # SUP 0.77 HA LYS+ 20 - QB PHE 32 # SUP 0.02 Upper HB2 PRO 33 - HN THR 39 4.94 7 0.74 2.33 + * + + + + + # peak 2004 # SUP 6.37 HN TYR 31 - HB2 PRO 33 # SUP 0.42 Upper HG2 PRO 33 - HD2 PRO 35 4.35 10 1.09 2.45 + ++* ++ + +++ # peak 2020 # SUP 3.64 Upper QB SER 49 - HB3 TRP 50 3.91 18 1.14 1.55 +++++++++ +++*+++ ++ # peak 2330 # SUP 3.89 Upper HN ARG+ 48 - QB SER 49 4.64 17 1.11 1.35 +++++*+ ++++ +++++ + # peak 2332 # SUP 5.70 Upper HN ARG+ 48 - HB3 TRP 50 5.03 11 1.01 1.54 + + +++ + * + +++ # peak 2341 # SUP 2.48 Upper QG2 THR 51 - HA VAL 52 3.89 13 0.94 1.50 + +*+ ++++ + +++ + # peak 2351 # SUP 3.54 HA THR 39 - QG2 THR 51 # SUP 1.27 QG2 THR 51 - HA PHE 62 # SUP 0.02 Upper HN TRP 50 - QG2 THR 51 3.44 6 0.77 1.48 + * + +++ # peak 2361 # SUP 2.83 Upper QG2 VAL 52 - HA THR 64 4.33 8 0.62 2.03 ++*+ ++ + + # peak 2396 # SUP 2.28 HA TRP 50 - QG2 VAL 52 # SUP 2.19 QG2 VAL 52 - HA TYR 81 # SUP 0.64 Upper QG1 VAL 52 - HA THR 64 4.22 10 0.81 1.85 + + + + + + ++ +* # peak 2397 # SUP 4.09 QG1 VAL 52 - HA LYS+ 55 # SUP 0.11 QG1 VAL 52 - HA ILE 85 # SUP 0.02 Upper HB2 SER 15 - QG1 VAL 52 4.50 8 0.65 1.61 ++ + + *++ + # peak 2399 # SUP 1.64 HB THR 51 - QG1 VAL 52 # SUP 4.16 HA1 GLY 5 - QG1 VAL 52 # SUP 1.03 QG1 VAL 52 - HA LYS+ 72 # SUP 0.50 Upper QE MET 54 - QE LYS+ 55 4.01 6 0.57 1.17 *+++ + + # peak 2439 # SUP 4.91 QE MET 54 - HE3 LYS+ 60 # SUP 0.65 QE LYS+ 17 - QE MET 54 # SUP 0.13 HD3 ARG+ 48 - QE MET 54 # SUP 0.02 Upper HA LYS+ 55 - QG2 VAL 61 4.24 12 0.84 1.45 *++++ +++++++ # peak 2620 # SUP 3.06 QG2 VAL 61 - HA THR 64 # SUP 2.01 Upper HA LEU 63 - HA VAL 65 4.50 20 1.58 2.11 ++*+++++++++++++++++ # peak 2704 # SUP 2.33 HA VAL 65 - HA VAL 94 # SUP 1.16 HA PHE 9 - HA VAL 65 # SUP 0.36 Upper HN LEU 63 - HA VAL 65 4.54 20 2.21 3.44 ++++++*+++++++++++++ # peak 2715 # SUP 1.40 HN PHE 62 - HA VAL 65 # SUP 0.72 HN GLU- 16 - HA VAL 65 # SUP 0.02 HA VAL 65 - HN GLY 79 # SUP 0.02 Upper HN THR 64 - QD2 LEU 82 4.14 11 1.04 2.57 +++*++ +++ ++ # peak 2987 # SUP 2.61 HN MET 10 - QD2 LEU 82 # SUP 2.86 HG3 LYS+ 56 - HN THR 64 # SUP 3.00 HN ARG+ 53 - QD2 LEU 82 # SUP 0.08 HN ARG+ 53 - HG3 LYS+ 56 # SUP 0.57 HN MET 10 - HG3 LYS+ 56 # SUP 0.28 Upper HG LEU 43 - QG2 THR 91 3.63 8 0.72 2.07 + + *+ ++++ # peak 3090 # SUP 2.43 HB2 LYS+ 56 - QG2 THR 91 # SUP 1.15 QG2 THR 91 - HB VAL 94 # SUP 0.13 Upper HN LEU 22 - HG3 MET 54 4.45 10 1.04 2.68 ++ ++ + * +++ + # peak 2527 # SUP 3.58 HN LEU 22 - HB2 ARG+ 53 # SUP 0.72 HG2 LYS+ 56 - HN THR 64 # SUP 2.31 HN PHE 13 - HG2 LYS+ 56 # SUP 1.99 HN MET 10 - HG2 LYS+ 56 # SUP 0.16 HN GLY 27 - HG2 LYS+ 56 # SUP 0.02 Upper HN LEU 22 - HN LEU 63 3.38 7 0.54 2.42 + + * ++ ++ # peak 2529 # SUP 8.13 HN LEU 22 - HN PHE 62 # SUP 2.53 HN GLU- 16 - HN LEU 22 # SUP 0.83 HB2 LYS+ 56 - QG2 THR 91 # SUP 1.15 QD1 ILE 38 - HB2 LYS+ 56 # SUP 2.29 Upper QD1 LEU 43 - QD2 LEU 82 2.69 7 0.72 1.44 ++ + + + + * # peak 1850 # SUP 1.65 QD1 LEU 43 - HB3 ARG+ 48 # SUP 1.04 QD1 LEU 43 - QG2 VAL 52 # SUP 1.02 QD1 LEU 43 - HG3 LYS+ 56 # SUP 1.18 HA SER 19 - QG2 VAL 71 # SUP 0.66 HA PRO 25 - QG2 VAL 71 # SUP 0.15 HA PRO 25 - QG1 VAL 61 # SUP 0.28 HA SER 19 - QG1 VAL 61 # SUP 0.46 HA PRO 25 - QD1 LEU 43 # SUP 0.02 Upper QD1 ILE 38 - HB3 LYS+ 56 3.36 8 0.81 2.32 ++ ++ + *+ + # peak 815 # SUP 2.91 HB3 LYS+ 56 - QG2 THR 91 # SUP 1.46 HB3 LYS+ 56 - HG LEU 76 # SUP 0.91 HN ILE 14 - QG1 VAL 71 # SUP 0.51 HN ILE 14 - QD1 ILE 24 # SUP 1.22 HN ILE 14 - QD1 LEU 63 # SUP 0.02 QG1 VAL 7 - HN ILE 14 # SUP 0.02 Upper QG2 VAL 52 - QD1 LEU 82 3.17 6 0.71 1.79 + + + ++* # peak 1803 # SUP 0.26 QG2 VAL 52 - HB3 LEU 63 # SUP 3.02 QG2 VAL 52 - HB3 LEU 82 # SUP 0.67 QG2 VAL 52 - HD2 LYS+ 56 # SUP 0.09 QG2 ILE 24 - QG1 VAL 52 # SUP 1.65 Upper HA ILE 38 - HN MET 54 3.75 7 0.74 2.03 +* ++++ + # peak 1712 # SUP 0.95 HA THR 4 - HN MET 54 # SUP 1.07 HA PRO 33 - HN MET 54 # SUP 0.48 HB THR 4 - HN MET 54 # SUP 1.11 HA ILE 14 - HN MET 54 # SUP 0.02 HB3 LYS+ 17 - HN LEU 76 # SUP 1.66 HB3 LYS+ 20 - HN THR 39 # SUP 0.40 HB3 LYS+ 17 - HN GLU- 30 # SUP 0.75 HB3 LYS+ 17 - HN TYR 31 # SUP 0.47 HB3 LYS+ 20 - HN LEU 76 # SUP 0.02 HB3 LYS+ 20 - HN LYS+ 60 # SUP 0.02 HB3 LYS+ 17 - HN LYS+ 60 # SUP 0.02 HB3 LYS+ 20 - HN TYR 31 # SUP 0.02 Upper HB2 PRO 33 - HG13 ILE 38 4.13 6 0.55 1.74 + ++ *+ + # peak 2394 # SUP 4.95 HB2 PRO 33 - HB2 LEU 63 # SUP 0.10 HB2 PRO 33 - HB3 ASN 74 # SUP 0.02 HA1 GLY 5 - QG2 VAL 52 # SUP 2.21 QG2 VAL 52 - HA LYS+ 72 # SUP 0.92 HB2 SER 15 - QG2 VAL 52 # SUP 0.67 Upper QG1 VAL 71 - HN LEU 76 3.18 7 0.67 1.66 + + + ++* + # peak 1566 # SUP 3.43 HN LYS+ 60 - QG1 VAL 71 # SUP 0.33 HN THR 39 - QG1 VAL 71 # SUP 0.02 HA MET 10 - HA GLN 83 # SUP 1.97 HA MET 10 - HA1 GLY 66 # SUP 1.43 HA MET 10 - HA LYS+ 80 # SUP 1.30 HA MET 10 - HA LYS+ 56 # SUP 0.85 HA MET 10 - HA VAL 40 # SUP 0.02 Upper HN VAL 7 - HN TYR 86 4.21 6 0.47 1.42 ++ + * ++ # peak 2739 # SUP 3.27 HN GLY 5 - HN TYR 86 # SUP 0.23 HD3 LYS+ 55 - HG2 GLU- 68 # SUP 1.82 QD LYS+ 60 - HG2 GLU- 68 # SUP 0.77 HB2 GLU- 23 - HG2 GLU- 68 # SUP 0.85 HB3 LYS+ 55 - HG2 GLU- 68 # SUP 1.00 HG12 ILE 38 - HG2 GLU- 68 # SUP 0.08 HG LEU 26 - HG2 GLU- 68 # SUP 0.02 QB GLU- 30 - HG2 GLU- 68 # SUP 0.02 Upper HE2 LYS+ 56 - HN LEU 76 4.09 7 0.73 1.47 + + ++ *+ + # peak 2735 # SUP 2.48 HB3 PHE 13 - HN LEU 76 # SUP 0.13 HN LEU 76 - HB3 TYR 81 # SUP 0.26 HD3 LYS+ 55 - HG3 GLU- 68 # SUP 1.15 QD LYS+ 60 - HG3 GLU- 68 # SUP 0.68 HB2 GLU- 23 - HG3 GLU- 68 # SUP 0.81 HB3 LYS+ 55 - HG3 GLU- 68 # SUP 0.48 HG LEU 26 - HG3 GLU- 68 # SUP 0.02 QB GLU- 30 - HG3 GLU- 68 # SUP 0.02 HG12 ILE 38 - HG3 GLU- 68 # SUP 0.02 Upper HA GLU- 16 - QD1 LEU 26 3.78 6 0.42 1.36 + * + + ++ # peak 2744 # SUP 3.02 HA GLU- 16 - QD2 LEU 26 # SUP 1.57 HD3 LYS+ 55 - QB GLU- 68 # SUP 1.10 QD LYS+ 60 - QB GLU- 68 # SUP 0.70 HB3 LYS+ 55 - QB GLU- 68 # SUP 0.53 HB2 GLU- 23 - QB GLU- 68 # SUP 0.57 QD LYS+ 17 - QB GLU- 68 # SUP 0.02 HG LEU 26 - QB GLU- 68 # SUP 0.02 HG2 PRO 25 - QB GLU- 68 # SUP 0.02 Angle PHI VAL 7 213.00 271.00 6 4.74 41.34 *+ ++ + + Angle PSI VAL 7 141.00 161.00 14 12.87 48.05 ++ ++++ ++*+ + + ++ Angle PHI GLN 8 224.00 260.00 9 8.01 53.05 + + ++ *+ + + + Angle PSI GLN 8 146.00 172.00 6 7.73 53.17 + ++ +* + Angle PHI PHE 9 190.00 234.00 7 5.42 25.71 ++ + ++* + Angle PSI PHE 9 150.00 170.00 16 16.56 49.77 ++++ + +*++ + ++++++ Angle PHI MET 10 222.00 256.00 10 11.77 51.61 + +++*+ + + ++ Angle PSI MET 10 134.00 158.00 11 11.68 52.82 + +++ +++* + + + Angle PHI LYS+ 11 206.00 236.00 13 9.27 35.23 ++ +++ + * +++ + ++ Angle PSI LYS+ 11 131.00 159.00 12 9.10 36.32 + ++ *++++ ++++ Angle PSI PRO 12 134.00 146.00 16 13.82 23.08 ++++ + +++++++ +*+ + Angle PHI PHE 13 227.00 293.00 9 5.96 20.00 ++ ++ +++* + Angle PSI PHE 13 119.00 139.00 7 6.00 30.32 ++ +*++ + Angle PHI ILE 14 232.00 270.00 17 17.76 41.05 +++++++ +++ *++++++ Angle PSI ILE 14 90.00 142.00 8 6.14 28.01 ++*++ ++ + Angle PHI SER 15 286.00 306.00 12 9.76 33.91 + ++++++ +++ +* Angle PSI SER 15 323.00 349.00 6 4.34 24.18 + + +* + + Angle PHI GLU- 16 277.00 299.00 8 5.80 27.30 + ++ + *++ + Angle PHI LYS+ 17 250.00 290.00 19 20.18 41.84 +++++++*+++++ ++++++ Angle PSI LYS+ 17 320.00 0.00 8 4.81 19.37 *++++ +++ Angle PHI SER 19 286.00 306.00 9 6.44 29.04 + + +*+ + ++ + Angle PSI SER 19 315.00 343.00 8 5.26 18.72 *+ ++ + + + + Angle PHI SER 21 200.00 268.00 13 7.93 27.53 +++++ + ++++ *+ + Angle PSI SER 21 142.00 168.00 15 19.17 54.89 ++++++++ *++ + + ++ Angle PHI LEU 22 221.00 273.00 15 19.08 47.23 +++++++++ +* ++ + + Angle PSI LEU 22 114.00 144.00 13 12.23 51.84 + ++ + ++ ++ *++++ Angle PHI GLU- 23 242.00 288.00 9 7.47 44.05 +++ + ++++ * Angle PSI GLU- 23 109.00 131.00 9 6.88 32.23 + *++ + + +++ Angle PHI ILE 24 247.00 301.00 9 6.50 23.85 + + + +* ++ + + Angle PSI ILE 24 110.00 132.00 20 21.58 56.73 ++++++*+++++++++++++ Angle PSI PRO 25 134.00 158.00 7 3.73 11.89 + *+++ + + Angle PSI LEU 26 313.00 337.00 8 4.89 15.08 + * + + + + ++ Angle PHI PHE 28 272.00 306.00 9 4.51 16.39 + +*++ ++ ++ Angle PSI PHE 28 309.00 339.00 9 7.54 35.61 +++ ++* + ++ Angle PHI ASN 29 284.00 304.00 14 7.26 15.42 ++++* + ++ + ++++ + Angle PSI ASN 29 314.00 336.00 9 4.78 11.74 ++ *+ + + +++ Angle PHI TYR 31 253.00 291.00 8 4.10 13.85 + + +* + +++ Angle PSI TYR 31 333.00 9.00 7 4.39 13.64 * ++ + + + + Angle PSI PRO 33 137.00 161.00 17 27.43 68.46 ++++ ++++ ++++++++* Angle PHI ALA 34 211.00 263.00 12 26.71 52.18 + +++ ++*+ +++ + Angle PSI ALA 34 132.00 160.00 20 90.91 138.27 ++++++++++++++++*+++ Angle PSI PRO 35 131.00 155.00 20 78.93 93.61 ++++++++++*+++++++++ Angle PHI PHE 36 224.00 290.00 8 16.87 48.04 + + +* +++ + Angle PSI PHE 36 109.00 147.00 20 91.89 158.36 *+++++++++++++++++++ Angle PSI PRO 37 137.00 159.00 17 21.22 46.06 +++*+++++ +++++++ + Angle PHI THR 39 206.00 248.00 6 5.65 26.51 + ++ * + + Angle PSI THR 39 152.00 178.00 8 6.30 41.06 +++ + + * ++ Angle PHI VAL 40 212.00 240.00 10 6.03 15.66 + + ++ +*+ ++ + Angle PSI VAL 40 140.00 162.00 8 9.35 41.11 ++ ++ + + *+ Angle PHI ASP- 41 218.00 250.00 11 11.99 52.70 +++ *+ ++ + +++ Angle PSI ASP- 41 126.00 160.00 9 4.44 14.04 ++ ++ + +++ * Angle PHI LEU 42 218.00 250.00 14 10.42 27.73 ++++++ +++*+ + ++ Angle PSI LEU 42 121.00 157.00 18 19.97 45.06 +++++++ + +++++++++* Angle PHI LEU 43 234.00 258.00 13 13.86 41.87 ++ + + + ++*++ +++ Angle PSI LEU 43 139.00 169.00 14 9.71 29.45 +++++++++++ +* + Angle PHI ARG+ 48 271.00 299.00 20 24.49 44.32 +++++++++++*++++++++ Angle PSI ARG+ 48 137.00 157.00 16 18.61 52.17 + +++++ ++++++* +++ Angle PHI SER 49 204.00 246.00 11 11.38 35.11 + +++ + +++*+ + Angle PSI SER 49 137.00 161.00 18 15.95 38.65 ++*++++++++ ++++++ + Angle PHI TRP 50 209.00 259.00 13 10.07 29.56 ++++++ * + ++++ + Angle PSI TRP 50 116.00 142.00 7 6.17 33.00 + + * ++ + + Angle PHI THR 51 246.00 274.00 14 9.19 32.04 +++++ ++* ++ ++ ++ Angle PSI THR 51 115.00 135.00 8 10.19 62.28 ++ +*+ ++ + Angle PHI VAL 52 235.00 257.00 12 9.97 36.01 + + ++*+ ++ ++++ Angle PSI VAL 52 119.00 155.00 13 9.28 22.08 ++ ++ + +++++* ++ Angle PHI ARG+ 53 211.00 257.00 9 11.36 41.87 ++++ * ++ ++ Angle PSI ARG+ 53 121.00 153.00 15 16.75 48.97 ++ ++++ ++++ + *+++ Angle PHI MET 54 223.00 249.00 13 14.89 62.05 ++ + +++++ + +*++ Angle PSI MET 54 122.00 158.00 6 5.03 38.69 + + + ++ * Angle PHI LYS+ 55 208.00 238.00 11 6.69 21.10 ++ ++* ++ ++ + + Angle PSI LYS+ 55 126.00 160.00 10 8.96 32.12 +++++ +* + + + Angle PHI LYS+ 56 241.00 267.00 9 7.11 27.04 + + +++ ++ +* Angle PSI LYS+ 56 108.00 128.00 11 6.57 16.18 + ++ + * + ++ ++ + Angle PSI ARG+ 57 99.00 131.00 14 7.69 22.00 ++++ ++ + *++ ++ ++ Angle PHI GLU- 59 249.00 269.00 7 4.75 22.27 + * + + +++ Angle PHI LYS+ 60 191.00 245.00 7 6.11 31.44 + + +* ++ + Angle PSI LYS+ 60 130.00 170.00 9 9.17 33.51 + ++ + *++ + + Angle PHI VAL 61 226.00 274.00 6 6.51 41.19 + +++ * + Angle PHI PHE 62 219.00 251.00 8 7.29 33.61 + + +* ++ ++ Angle PSI PHE 62 133.00 161.00 8 6.86 27.95 + + * + ++ + + Angle PHI LEU 63 258.00 278.00 12 12.43 54.89 + + ++ ++ *+ ++++ Angle PSI LEU 63 104.00 142.00 17 21.18 48.46 ++++ + +++++++++ +*+ Angle PHI VAL 65 277.00 303.00 15 13.73 51.24 +++* ++++ + ++++++ Angle PSI VAL 65 123.00 143.00 9 7.86 25.70 + + *+ + + + + + Angle PHI TRP 67 288.00 308.00 9 5.26 22.48 ++* ++ ++ + + Angle PSI TRP 67 312.00 342.00 10 4.76 22.78 ++++ + + ++ *+ Angle PHI GLU- 68 287.00 307.00 13 8.79 22.39 ++++ ++++++ + + * Angle PHI ASN 69 283.00 303.00 16 10.92 22.53 ++ ++++++ ++ + *++++ Angle PHI PHE 70 287.10 307.10 8 4.57 20.41 +++ ++ + + * Angle PHI LYS+ 72 290.00 310.00 7 3.95 9.30 ++++ +*+ Angle PHI ASP- 73 283.00 303.00 9 6.03 19.56 ++ + +++ +*+ Angle PSI ASP- 73 321.00 341.00 7 4.93 17.77 + ++++ *+ Angle PSI ASN 74 340.00 14.00 9 5.70 15.12 * ++ + + + +++ Angle PHI LEU 76 50.00 70.00 15 8.26 25.36 ++ ++++++++ *+ + ++ Angle PSI LEU 76 7.00 49.00 8 8.04 62.72 * ++++++ + Angle PHI GLU- 77 217.00 253.00 9 7.38 28.13 * ++ +++ ++ + Angle PSI GLU- 77 150.00 170.00 8 5.20 15.60 ++ + + + + + * Angle PHI ASP- 78 273.00 307.00 14 9.28 21.47 *+ +++ +++++ ++++ Angle PSI ASP- 78 121.00 141.00 7 3.87 12.81 + ++ ++ +* Angle PSI LYS+ 80 135.00 163.00 12 7.43 20.15 ++ ++++ +++* ++ Angle PSI TYR 81 130.00 158.00 10 5.26 15.44 + + ++ ++*++ + Angle PHI LEU 82 225.00 249.00 13 6.02 16.92 + + +++++ +++*++ Angle PSI LEU 82 123.00 155.00 11 6.89 23.37 +++ + + + + *++ + Angle PHI GLN 83 212.00 248.00 14 10.58 31.09 +++ + +++ ++ +*+ ++ Angle PSI GLN 83 125.00 145.00 12 11.27 26.65 + + ++ ++ + + +*++ Angle PHI PHE 84 232.00 258.00 12 9.82 41.10 + +++ +++++*++ Angle PSI PHE 84 118.00 138.00 16 10.77 22.40 ++++++ * ++ +++++++ Angle PHI ILE 85 234.00 262.00 6 5.13 23.00 +* + + ++ Angle PSI ILE 85 116.00 136.00 13 7.99 19.27 + + + +++ *++++++ Angle PHI TYR 86 233.00 253.00 9 7.40 32.71 ++ ++ +*+++ Angle PSI TYR 86 125.00 157.00 6 3.99 14.92 ++ + * ++ Angle PSI ARG+ 90 109.00 147.00 18 17.96 32.31 +++++++++++ ++ ++*++ Angle PHI THR 91 224.00 256.00 17 14.28 30.51 + +++++ *++ ++++++++ Angle PSI THR 91 118.00 140.00 13 15.55 41.01 + *++ +++++++++ Angle PHI PHE 92 232.00 254.00 12 8.11 28.69 +++ ++++++ + *+ Angle PSI PHE 92 123.00 155.00 15 12.72 34.31 ++ ++++ ++++++ +*+ Angle PHI TYR 93 236.00 268.00 11 8.10 31.67 +* + ++ + + ++ ++ Angle PSI TYR 93 114.00 136.00 9 7.48 32.47 +* + ++++ ++ Angle PHI VAL 94 223.00 261.00 9 6.25 23.55 + + + + ++ + + * Angle PSI VAL 94 118.00 156.00 10 7.59 29.98 ++ + + ++ ++*+ Angle PSI ILE 95 117.00 143.00 13 9.38 29.77 +++ +++ + ++ *+ ++ Angle PHI ILE 96 242.00 266.00 11 6.36 17.71 + + ++ ++ + *++ + 49 violated distance constraints. 122 violated angle constraints. RMSDs for residues 1..102: Average backbone RMSD to mean : 5.22 +/- 1.25 A (3.72..9.09 A) Average heavy atom RMSD to mean : 5.79 +/- 1.26 A (4.36..9.93 A)