Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 106.83 55 78.9 1.65 62 48.0 0.62 51 883.4 40.85 2 115.06 43 78.7 2.06 73 53.7 0.54 52 961.9 40.67 3 136.33 62 92.4 2.35 85 61.2 0.69 35 732.2 51.99 4 137.00 58 89.8 2.20 84 62.0 0.75 47 979.5 60.89 5 142.29 47 84.2 1.88 118 73.9 0.89 49 956.8 40.52 6 147.75 65 96.8 2.22 133 76.7 0.72 44 821.8 39.31 7 150.05 53 91.6 2.94 97 66.0 0.94 46 1009.6 45.78 8 152.29 59 94.7 1.84 102 68.4 0.75 58 1072.6 55.68 9 152.84 67 95.1 1.70 123 73.7 0.81 50 997.5 54.39 10 153.36 68 100.8 1.84 108 68.7 0.64 59 1050.6 59.29 11 157.36 64 96.5 2.01 136 75.9 0.69 53 1065.5 50.08 12 159.42 57 88.7 3.00 125 77.3 0.88 52 1058.4 68.06 13 159.65 65 100.7 2.36 134 76.0 0.68 60 1043.3 56.27 14 160.48 61 96.2 1.98 146 87.5 1.02 52 988.5 55.32 15 160.49 61 101.9 2.33 116 70.5 0.62 53 1034.2 43.82 16 161.50 54 93.5 2.82 110 72.2 0.96 46 999.5 70.80 17 162.64 67 95.5 2.17 116 73.5 0.92 48 1024.9 56.37 18 163.99 58 93.6 3.39 132 77.7 0.74 62 1086.7 45.29 19 165.17 62 93.4 2.06 147 82.5 0.96 53 1022.6 66.33 20 165.39 62 99.3 2.49 135 85.3 1.19 49 946.8 47.89 Ave 150.49 59 93.1 2.27 114 71.5 0.80 51 986.8 52.48 +/- 15.71 6 6.3 0.45 23 9.6 0.16 6 85.9 9.30 Min 106.83 43 78.7 1.65 62 48.0 0.54 35 732.2 39.31 Max 165.39 68 101.9 3.39 147 87.5 1.19 62 1086.7 70.80 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 HD3 PRO 52 - HA PRO 104 5.15 10 0.86 2.33 + ++++ ++*+ + # peak 145 # SUP 7.70 Upper HD3 PRO 52 - QG2 THR 96 4.38 9 0.69 1.78 * ++++ ++ ++ # peak 172 # SUP 1.50 HD3 PRO 52 - QG2 THR 95 # SUP 3.75 Upper HA VAL 73 - HB3 PRO 104 4.39 10 0.47 1.11 ++ *+ + ++ ++ + # peak 301 # SUP 1.47 HA VAL 73 - HB3 GLU- 75 # SUP 1.35 HD3 PRO 52 - HA VAL 73 # SUP 3.97 HG2 GLN 16 - HA VAL 73 # SUP 0.46 HA VAL 73 - HG2 PRO 104 # SUP 1.65 Upper HA VAL 73 - QG2 VAL 105 4.98 6 0.50 1.60 * + ++ + + # peak 372 # SUP 1.97 HD3 PRO 52 - QG2 VAL 105 # SUP 3.75 Upper HA VAL 73 - HG LEU 74 4.34 13 0.69 1.52 + ++++ +*++++ ++ # peak 425 # SUP 3.80 HA VAL 73 - QG2 ILE 101 # SUP 1.38 HG3 LYS+ 66 - HA VAL 73 # SUP 0.31 QD1 ILE 68 - HA VAL 73 # SUP 0.02 Upper HD3 PRO 52 - QG2 ILE 101 5.02 6 0.41 1.45 + + * + + + # peak 760 # SUP 4.23 Upper HD3 PRO 52 - HA ARG+ 53 4.28 12 0.66 0.98 + + + ++ +++* + ++ # peak 938 # SUP 4.91 HA ARG+ 53 - HB3 GLU- 54 # SUP 1.84 Upper HD3 PRO 52 - QD1 ILE 68 5.45 7 0.45 1.31 *+ + + ++ + # peak 1113 # SUP 6.01 Upper QD1 ILE 48 - HB3 LEU 67 4.01 7 0.34 1.06 + +* ++ ++ # peak 1153 # SUP 1.52 QD1 ILE 48 - HG LEU 74 # SUP 0.62 QD1 ILE 48 - QB ALA 70 # SUP 0.09 Upper HZ3 TRP 51 - QD1 ILE 101 5.50 6 0.40 2.42 + + + ++ * # peak 1261 # SUP 1.61 Upper HG LEU 74 - QD1 ILE 101 4.56 16 0.87 1.69 +++ ++*++++ ++ ++++ # peak 1273 # SUP 1.56 HB3 LEU 74 - QD1 ILE 101 # SUP 0.98 Upper HD3 PRO 52 - HD3 PRO 104 3.55 8 0.52 1.22 + +* +++ + + # peak 1325 # SUP 4.74 HA ILE 48 - HD3 PRO 104 # SUP 0.50 Upper HD3 PRO 52 - HN ILE 68 5.14 11 0.55 1.34 + ++++ +*+++ + # peak 1674 # SUP 6.35 HD3 PRO 52 - HN GLN 102 # SUP 4.32 Upper HD3 PRO 52 - HB ILE 68 4.83 7 0.37 1.31 ++ + ++ *+ # peak 1694 # SUP 8.52 HB ILE 68 - HB3 GLU- 75 # SUP 0.48 Upper HD3 PRO 52 - HN ILE 101 5.20 11 0.74 2.17 +++ +++ + +*++ # peak 1852 # SUP 5.24 HD3 PRO 52 - HN THR 95 # SUP 5.31 HD3 PRO 52 - HN GLU- 56 # SUP 0.78 HN PHE 34 - HD3 PRO 52 # SUP 0.66 Upper HN GLU- 50 - HD3 PRO 52 5.12 12 0.65 1.36 + + * ++ + +++++ + # peak 1959 # SUP 3.16 HD3 PRO 52 - HN VAL 99 # SUP 1.39 Upper HB2 GLN 16 - HN ALA 33 5.48 6 0.36 0.86 ++ * + + + # peak 2138 # SUP 0.34 HD3 PRO 52 - HN VAL 94 # SUP 3.07 HD3 PRO 52 - HN VAL 105 # SUP 3.76 HN ALA 33 - HD3 PRO 52 # SUP 1.20 HN ALA 11 - HB2 GLN 16 # SUP 0.02 HB2 GLN 16 - HN VAL 105 # SUP 0.02 Upper HN GLN 16 - HD3 PRO 52 4.81 9 0.51 1.67 + * ++ + ++ ++ # peak 2173 # SUP 4.40 HD3 PRO 52 - HN VAL 99 # SUP 1.39 HN GLN 16 - HB3 GLN 102 # SUP 0.09 HN VAL 99 - HB3 GLN 102 # SUP 0.60 HN ASP- 28 - HD3 PRO 52 # SUP 0.18 HN ALA 91 - HB3 GLU- 109 # SUP 0.02 Upper HD3 PRO 52 - HG LEU 74 2.41 16 1.31 2.36 ++ + +++ + +*+++++++ # peak 2391 # SUP 7.90 HD3 PRO 52 - HB3 LEU 67 # SUP 5.33 HD3 PRO 52 - HG3 LYS+ 55 # SUP 2.49 HD3 PRO 52 - QB ALA 70 # SUP 1.14 Upper HG3 PRO 52 - HG3 ARG+ 53 4.46 11 0.70 1.65 +++ + +*+++ ++ # peak 2574 # SUP 1.31 HG3 ARG+ 53 - HG LEU 74 # SUP 1.30 Upper HG LEU 17 - HG LEU 74 4.17 6 0.40 2.82 + + +* + + # peak 2630 # SUP 5.10 Upper HD3 PRO 52 - HB3 SER 69 3.77 10 0.84 2.94 + ++*+ + + + ++ # peak 2859 # SUP 4.00 Upper HB3 LEU 17 - QG1 VAL 99 5.40 8 0.54 1.54 + + * + ++ + + # peak 2997 # SUP 0.78 HD3 PRO 52 - QG1 VAL 99 # SUP 1.28 HG LEU 17 - QG1 VAL 99 # SUP 0.92 Upper HG LEU 17 - QG1 VAL 99 5.40 7 0.47 1.48 + * + ++ + + # peak 3002 # SUP 0.92 HB3 LEU 17 - QG1 VAL 99 # SUP 0.78 HD3 PRO 52 - QG1 VAL 99 # SUP 1.28 HB ILE 19 - QG1 VAL 99 # SUP 0.02 Upper HA LYS+ 60 - HB THR 61 3.57 17 0.84 1.26 +++++++++ +++++++* # peak 3343 # SUP 2.35 Upper HG13 ILE 48 - HB3 LEU 67 4.64 8 0.49 1.54 ++ ++ ++ + * # peak 3346 # SUP 1.15 HG12 ILE 48 - HB3 LEU 67 # SUP 1.59 HG13 ILE 48 - HG LEU 74 # SUP 1.02 HG12 ILE 48 - HG LEU 74 # SUP 1.02 HG12 ILE 48 - QB ALA 70 # SUP 0.32 HG13 ILE 48 - QB ALA 70 # SUP 0.32 Upper HG3 PRO 31 - HA ILE 68 5.50 19 1.13 2.03 ++ ++++++++++++++*++ # peak 3433 # SUP 0.70 HG3 PRO 31 - HA PHE 34 # SUP 0.75 Upper HG12 ILE 19 - HD3 PRO 52 5.50 8 0.57 2.01 ++ ++* ++ + # peak 3470 # SUP 3.64 Upper HG13 ILE 19 - HD3 PRO 52 5.50 14 0.80 1.84 + ++ + ++*++ + ++++ # peak 3475 # SUP 3.70 Upper HE22 GLN 16 - QD2 LEU 67 5.50 7 0.46 1.57 ++ * ++ + + # peak 3485 # SUP 3.24 Upper HD3 PRO 52 - HN GLU- 54 5.50 9 0.43 1.30 ++ +++++ + * # peak 3502 # SUP 4.36 HD3 PRO 52 - HN LYS+ 66 # SUP 1.11 Upper HN GLU- 18 - HD3 PRO 52 5.43 6 0.59 2.20 *+ ++ + + # peak 3514 # SUP 6.08 Upper QG2 ILE 19 - HD3 PRO 52 5.50 11 0.68 2.02 + +++ +++ + ++* # peak 3624 # SUP 3.57 Upper HD3 PRO 52 - HN ILE 68 5.50 11 0.65 1.84 + ++ + *+++++ + # peak 3631 # SUP 6.35 HD3 PRO 52 - HN ASN 57 # SUP 0.71 Upper HD3 PRO 52 - HA GLN 102 5.50 10 0.60 1.68 ++ + + ++ + +* + # peak 3652 # SUP 3.26 HD3 PRO 52 - HA HIS+ 98 # SUP 1.68 HA ALA 33 - HD3 PRO 52 # SUP 0.84 Upper HD22 ASN 15 - HB ILE 68 5.50 7 0.40 1.75 + + ++* ++ # peak 3697 # SUP 1.08 QD PHE 21 - HB ILE 68 # SUP 0.24 HZ PHE 21 - HB ILE 68 # SUP 0.44 Upper HD3 PRO 52 - HD2 PRO 104 2.59 6 0.48 1.14 + ++ + * + # peak 3765 # SUP 4.75 HA ILE 48 - HD2 PRO 104 # SUP 0.49 Upper HA ILE 68 - QB ALA 70 5.50 6 0.28 0.99 * + + ++ + # peak 3811 # SUP 1.23 Upper HD3 PRO 52 - QG1 VAL 94 4.21 15 1.06 1.96 +++*++ ++ + + +++++ # peak 3849 # SUP 4.69 Upper HD3 PRO 52 - QG2 VAL 94 4.88 6 0.42 1.27 *+ + + ++ # peak 3854 # SUP 4.88 QG2 VAL 94 - HB2 LYS+ 108 # SUP 0.57 HB3 GLU- 75 - QG2 VAL 94 # SUP 0.96 Upper HZ3 TRP 51 - QD1 LEU 74 5.50 6 0.36 1.54 ++* + + + # peak 3864 # SUP 0.55 QD1 LEU 74 - QE TYR 83 # SUP 0.44 Upper HA ILE 68 - HN ALA 70 4.65 12 0.60 0.98 + ++ ++++ ++ + +* # peak 3 # SUP 2.31 Upper HN LEU 23 - HD3 PRO 52 4.69 8 0.60 1.85 ++ + + + +*+ # peak 21 # SUP 1.63 HN LEU 23 - HB3 GLU- 50 # SUP 0.09 HB2 GLN 16 - HN LEU 23 # SUP 0.15 HN LEU 23 - HB ILE 48 # SUP 0.09 HN LEU 23 - HB VAL 94 # SUP 0.02 HB2 HIS+ 7 - HN LEU 23 # SUP 0.02 HN LEU 23 - HB2 ARG+ 84 # SUP 0.02 Upper HG3 ARG+ 53 - HN ILE 101 4.04 14 1.17 3.39 ++++ + + + ++ + +*++ # peak 51 # SUP 2.24 HD3 PRO 52 - HN ILE 101 # SUP 5.24 Upper HD3 PRO 52 - HN ALA 103 4.86 8 0.45 1.52 * + + + + ++ + # peak 61 # SUP 3.70 HA ASN 15 - HN ALA 103 # SUP 0.50 Upper QG2 VAL 94 - HN MET 97 3.90 6 0.38 1.22 + + + + * + # peak 69 # SUP 0.70 QD1 ILE 19 - HN MET 97 # SUP 0.91 HN MET 97 - QG2 ILE 101 # SUP 0.95 HG12 ILE 19 - HN MET 97 # SUP 0.98 HG LEU 67 - HN MET 97 # SUP 0.25 Upper HN MET 97 - HA HIS+ 98 3.94 19 1.15 1.78 + ++++++++++++++*+++ # peak 71 # SUP 2.09 Upper HA VAL 73 - HN THR 95 3.27 11 0.82 1.96 +++++ * ++++ + # peak 91 # SUP 4.01 HD3 PRO 52 - HN THR 95 # SUP 5.31 HA PRO 52 - HN THR 95 # SUP 1.63 HA GLU- 75 - HN THR 95 # SUP 0.41 Upper HN LEU 17 - HD3 PRO 52 3.88 7 0.44 1.00 + + + * + ++ # peak 161 # SUP 5.51 HA ASN 15 - HN LEU 17 # SUP 1.96 HD3 PRO 52 - HN THR 96 # SUP 2.62 HA ASN 15 - HN ARG+ 22 # SUP 0.44 Upper HN TRP 51 - HD3 PRO 52 3.56 6 0.45 0.75 + + + *+ + # peak 170 # SUP 5.51 HN TRP 51 - HD2 PRO 52 # SUP 3.14 HA ILE 48 - HN TRP 51 # SUP 1.13 Upper HN HIS+ 98 - QG2 ILE 101 5.37 9 0.52 1.08 ++* + + + +++ # peak 184 # SUP 1.08 QD1 ILE 19 - HN HIS+ 98 # SUP 0.15 QG2 VAL 94 - HN HIS+ 98 # SUP 0.15 Upper HA VAL 73 - HN THR 96 3.19 14 0.85 1.94 +*++ + ++++ ++ +++ # peak 185 # SUP 1.30 HN LEU 17 - HD3 PRO 52 # SUP 5.51 HD3 PRO 52 - HN THR 96 # SUP 2.62 HN LEU 17 - HA TRP 51 # SUP 1.50 HA TRP 51 - HN THR 96 # SUP 0.58 Upper HN GLU- 18 - HD3 PRO 52 4.15 16 0.94 1.59 +++++ * +++++++ ++ + # peak 200 # SUP 6.08 HB2 GLN 16 - HN GLU- 18 # SUP 4.22 Upper HN VAL 73 - HG3 PRO 104 3.44 14 0.90 1.68 ++ ++++ ++++ ++ *+ # peak 218 # SUP 0.84 HD3 PRO 52 - HN VAL 73 # SUP 3.41 HN VAL 73 - HB2 GLU- 75 # SUP 0.02 HN VAL 73 - HG2 PRO 112 # SUP 0.02 HN VAL 73 - HB2 PRO 116 # SUP 0.02 HB3 PRO 35 - HN VAL 73 # SUP 0.02 HB ILE 29 - HN VAL 73 # SUP 0.02 Upper HA GLN 16 - HN GLU- 18 4.76 6 0.34 1.21 * ++++ + # peak 246 # SUP 3.76 HN GLU- 18 - HD3 PRO 52 # SUP 6.08 HD3 PRO 52 - HN GLU- 107 # SUP 1.18 Upper HN LEU 67 - HG LEU 74 5.05 8 0.57 1.59 + ++ + ++ + * # peak 279 # SUP 4.20 Upper HE21 GLN 16 - HD3 PRO 52 3.83 7 0.36 0.95 + + * + ++ + # peak 299 # SUP 10.15 Upper HN PHE 21 - HA2 GLY 30 3.82 7 0.50 1.58 *++ + + + + # peak 312 # SUP 1.64 HN PHE 21 - HA PRO 31 # SUP 1.25 HN PHE 21 - HD3 PRO 52 # SUP 0.75 Upper HG LEU 74 - HN GLU- 75 5.04 7 0.40 0.91 + ++ + * ++ # peak 394 # SUP 3.77 Upper HE22 GLN 16 - HN SER 69 4.26 7 0.42 0.97 ++ * + + + + # peak 447 # SUP 3.06 HN SER 69 - HN LYS+ 72 # SUP 0.24 HN LYS+ 72 - HN THR 95 # SUP 1.75 Upper HB2 PHE 21 - HN ILE 29 4.70 9 0.55 1.79 + + + ++ *+ + + # peak 505 # SUP 1.15 HN ILE 29 - HD3 PRO 52 # SUP 0.75 Upper HG LEU 74 - HN VAL 94 3.89 15 0.75 1.34 ++* ++ ++++ ++ ++++ # peak 506 # SUP 1.95 QB ALA 91 - HN VAL 94 # SUP 1.09 HG13 ILE 19 - HN VAL 94 # SUP 0.28 Upper HD3 PRO 52 - HN VAL 94 5.50 7 0.53 1.11 ++ ++ * + + # peak 523 # SUP 3.07 HD3 PRO 52 - HN VAL 105 # SUP 3.76 Upper HG2 GLN 16 - HN VAL 99 3.83 13 0.82 1.67 ++ +*++ ++++ + ++ # peak 536 # SUP 0.92 HG3 GLN 16 - HN VAL 99 # SUP 0.83 HN VAL 99 - HG2 GLN 102 # SUP 0.49 HD3 PRO 52 - HN VAL 99 # SUP 1.39 HN VAL 99 - HG2 PRO 104 # SUP 0.25 Upper HN VAL 99 - QD1 ILE 101 5.04 8 0.44 1.15 + + *+ ++ + + # peak 541 # SUP 1.28 Upper HA VAL 73 - HN VAL 105 3.04 12 0.72 1.45 +++ *++ ++++++ # peak 555 # SUP 2.83 HA VAL 73 - HN VAL 94 # SUP 4.99 HA TRP 51 - HN VAL 105 # SUP 0.75 HD3 PRO 52 - HN VAL 105 # SUP 3.76 HD3 PRO 52 - HN VAL 94 # SUP 3.07 HA TRP 51 - HN VAL 94 # SUP 0.75 Upper HN HIS+ 14 - HE22 GLN 16 5.06 13 0.83 1.77 +++++++ + ++ + *+ # peak 646 # SUP 1.97 HN HIS+ 14 - HN GLY 26 # SUP 0.02 Upper HA ASN 76 - HN VAL 80 3.74 11 0.74 1.53 + + +++*++++ + # peak 660 # SUP 1.28 HA SER 77 - HN VAL 80 # SUP 1.56 Upper HA ASN 76 - HN LYS+ 81 4.18 7 0.44 1.71 + ++ + *+ + # peak 721 # SUP 0.75 HA VAL 73 - HN THR 106 # SUP 1.89 HD3 PRO 52 - HN THR 106 # SUP 2.94 HA SER 77 - HN LYS+ 81 # SUP 0.97 HA ASN 76 - HN THR 106 # SUP 0.02 Upper HG LEU 74 - HN THR 106 4.81 11 0.71 3.00 ++++ + + ++* + + # peak 724 # SUP 1.79 HB3 LEU 67 - HN THR 106 # SUP 0.46 HG3 PRO 52 - HN THR 106 # SUP 0.75 HB2 LYS+ 72 - HN THR 106 # SUP 0.21 QB ALA 70 - HN THR 106 # SUP 0.02 Upper HE22 GLN 16 - HA GLN 102 5.50 12 0.78 2.23 ++ +++ + + +* +++ # peak 849 # SUP 0.83 HE22 GLN 16 - HA HIS+ 98 # SUP 0.08 HE22 GLN 16 - HA ALA 33 # SUP 0.09 Upper HN GLY 30 - HN LYS+ 32 5.22 20 1.30 1.70 +++++++++*++++++++++ # peak 919 # SUP 1.04 Upper HD22 ASN 15 - HE21 GLN 16 2.65 11 0.74 1.70 ++ ++*+++ + ++ # peak 989 # SUP 2.85 HE21 GLN 16 - QD PHE 21 # SUP 1.05 HE21 GLN 16 - HZ PHE 21 # SUP 1.15 Upper HB2 PRO 59 - HN THR 61 4.08 6 0.39 0.82 + + ++ *+ # peak 1037 # SUP 2.28 HB3 PRO 59 - HN THR 61 # SUP 2.56 HN THR 61 - HB2 LYS+ 66 # SUP 1.13 Upper HN GLY 71 - QG2 VAL 94 4.00 7 0.44 1.46 + +++ + + * # peak 1074 # SUP 1.38 Upper HE1 TRP 51 - HG LEU 74 5.08 10 0.54 1.57 + + + ++ +* ++ + # peak 1118 # SUP 1.22 HE1 TRP 51 - HG3 LYS+ 55 # SUP 1.04 Upper HB3 PRO 52 - HN MET 97 4.80 9 0.75 2.05 + +*+++ + + + # peak 1149 # SUP 0.75 HD3 PRO 52 - HN MET 97 # SUP 1.86 HG3 GLU- 75 - HN MET 97 # SUP 0.16 Upper HN LEU 17 - QG2 ILE 19 4.96 6 0.29 1.09 + * + + ++ # peak 1158 # SUP 2.13 QG2 ILE 19 - HN THR 96 # SUP 0.24 QG2 ILE 19 - HN ARG+ 22 # SUP 0.24 Upper HN GLU- 50 - HD3 PRO 52 4.75 14 0.80 1.43 +++ +++ ++ ++*++ + # peak 1182 # SUP 3.16 HA VAL 47 - HN GLU- 50 # SUP 0.13 Upper HN PHE 34 - HB3 PRO 35 4.54 14 0.97 1.84 + +++ +++*+ ++ +++ # peak 1190 # SUP 2.62 HN PHE 34 - HB3 GLN 102 # SUP 0.68 HB3 GLN 16 - HN PHE 34 # SUP 0.40 Angle PHI LEU 17 229.00 273.00 14 10.37 37.14 ++ ++ ++++ ++* +++ Angle PSI LEU 17 116.00 146.00 14 17.59 70.80 + ++ ++++++ ++* + + Angle PHI ILE 19 239.00 273.00 14 10.25 33.44 ++ ++ ++++*+ + +++ Angle PSI ILE 19 124.00 144.00 19 24.52 47.48 +++++++++++*+++++++ Angle PHI LYS+ 20 204.00 242.00 18 21.47 45.17 ++++++++* +++++++++ Angle PSI LYS+ 20 128.00 162.00 18 17.39 38.08 +++*++++++ +++++ +++ Angle PHI PHE 21 237.00 261.00 17 18.26 42.65 +++*+++++++++ + ++ + Angle PSI PHE 21 106.00 132.00 17 19.29 37.15 ++ ++*++++++++++ ++ Angle PHI ARG+ 22 225.00 267.00 18 17.90 43.01 +++++++ +++++++++*+ Angle PSI ARG+ 22 107.00 141.00 17 13.06 31.46 ++ *+++++++++++ ++ + Angle PSI THR 24 313.00 345.00 7 5.31 34.88 + +* ++ ++ Angle PSI ASP- 25 359.00 25.00 7 3.94 11.69 * +++ ++ + Angle PHI ASP- 28 210.00 256.00 7 4.40 18.89 + + + ++ * + Angle PSI ASP- 28 127.00 157.00 6 4.81 20.85 + + + * + + Angle PHI ILE 29 214.00 268.00 11 7.86 31.01 + +++++ ++ +* + Angle PSI PRO 31 128.00 150.00 19 16.88 33.79 +++++++++*+++++++ ++ Angle PHI LYS+ 32 205.00 253.00 19 28.23 40.35 ++ +++++*+++++++++++ Angle PSI LYS+ 32 137.00 157.00 19 28.51 40.43 +++++++++++* +++++++ Angle PHI ALA 33 246.00 278.00 18 33.47 47.68 ++ ++++++++++++++ *+ Angle PSI ALA 33 120.00 148.00 9 4.95 13.42 + ++* + + ++ + Angle PHI PHE 34 222.00 260.00 16 10.67 23.19 +++ +++++ ++*++++ + Angle PSI PHE 34 116.00 164.00 12 7.61 22.02 + + + +++++ * +++ Angle PSI SER 41 309.00 329.00 11 5.67 12.40 ++*+ +++ ++ + + Angle PHI ALA 42 282.00 302.00 7 4.45 10.05 ++ + + * + + Angle PSI VAL 47 304.00 324.00 8 4.71 28.50 + ++ + + * ++ Angle PHI ILE 48 291.00 311.00 6 4.86 26.47 + + + * + + Angle PSI ILE 48 308.00 328.00 11 5.37 15.53 + + *+ +++++ ++ Angle PHI TRP 51 251.00 281.00 15 15.24 66.64 +++++ +++++++ *+ + Angle PSI TRP 51 110.00 138.00 15 18.55 68.06 + ++ +++++* +++++ + Angle PHI ARG+ 53 285.00 305.00 9 12.24 66.33 +++ ++ + + +* Angle PSI ARG+ 53 314.00 334.00 14 10.31 27.34 + + ++++++++ +*++ Angle PHI GLU- 54 256.00 286.00 12 7.90 17.82 ++ + + + + *+++++ Angle PHI THR 61 232.00 276.00 9 4.53 10.48 + + + + +* ++ + Angle PSI VAL 65 92.00 130.00 7 5.49 18.84 ++ +* + + + Angle PHI LYS+ 66 235.00 281.00 8 4.74 16.44 ++ +*+ +++ Angle PSI LYS+ 66 118.00 152.00 7 4.85 19.49 + + ++ *++ Angle PSI LEU 67 135.00 155.00 12 10.51 27.43 + + + ++ + + +++*+ Angle PHI ILE 68 227.00 253.00 15 15.14 36.68 + ++ ++++++++*++ + Angle PSI ILE 68 110.00 146.00 15 12.19 32.45 + ++ ++++++ *+++++ Angle PHI SER 69 218.00 274.00 14 14.03 36.28 *++++++++++ ++ + Angle PSI SER 69 110.00 134.00 20 18.18 38.80 ++++++++++++++*+++++ Angle PSI LYS+ 72 116.00 150.00 15 14.27 50.81 ++*++++ ++ +++ +++ Angle PHI VAL 73 244.00 278.00 12 12.40 39.35 +++ ++ +*+++++ Angle PSI VAL 73 107.00 137.00 12 11.51 45.29 ++ +++ ++ ++ *++ Angle PHI THR 79 222.00 272.00 12 6.48 16.96 ++ +++*++ + ++ + Angle PSI THR 79 148.00 174.00 19 19.83 37.47 ++++++*+++++++++++ + Angle PSI SER 85 113.00 153.00 9 5.09 16.94 + +++ ++* + + Angle PSI GLY 92 349.00 11.00 14 7.57 16.61 ++ ++ ++ ++*+++++ Angle PHI ALA 93 251.00 297.00 15 10.31 23.00 ++++*+ ++ +++++++ Angle PSI ALA 93 109.00 151.00 17 9.28 20.99 +++++*++++ ++ + ++++ Angle PHI VAL 94 245.00 279.00 10 8.07 24.84 + + + + +*+ +++ Angle PSI VAL 94 119.00 147.00 10 8.73 31.08 ++ + + ++ ++ *+ Angle PHI THR 95 219.00 273.00 7 5.43 28.85 + + ++ + *+ Angle PSI THR 95 113.00 139.00 17 14.50 45.78 +++++ *+++ ++++++++ Angle PHI THR 96 246.00 294.00 9 8.92 47.89 + + + +++++ * Angle PSI THR 96 116.00 146.00 16 17.88 43.82 +++ + +++ ++++*+++ + Angle PHI MET 97 248.00 292.00 11 10.38 34.30 +* + +++ + ++++ Angle PSI MET 97 120.00 166.00 13 11.36 59.29 + ++++++* ++++ + Angle PHI HIS+ 98 248.00 288.00 8 7.08 32.44 + + + *+ + + + Angle PSI HIS+ 98 121.00 149.00 20 36.28 60.89 +++*++++++++++++++++ Angle PHI VAL 99 242.00 268.00 20 26.63 46.13 ++++++++++*+++++++++ Angle PSI VAL 99 121.00 143.00 15 12.50 31.33 + + +++++++++ ++ +* Angle PHI ILE 100 227.00 273.00 18 16.63 31.01 +++++ +++++++++++ +* Angle PSI ILE 100 113.00 143.00 19 39.28 56.37 ++++++++++++++++*++ Angle PHI ILE 101 252.00 274.00 19 25.22 40.68 ++++++++++*++++++++ Angle PSI ILE 101 107.00 131.00 12 7.38 20.60 ++ ++ +++ + + +*+ Angle PHI GLN 102 231.00 287.00 7 7.18 21.54 + *+ + + + + Angle PSI GLN 102 122.00 152.00 16 14.83 33.77 ++++ ++ +++++++++ * Angle PHI VAL 105 255.00 287.00 14 13.51 55.32 ++++ +++++*+ ++ + Angle PSI VAL 105 109.00 151.00 11 9.58 28.46 +++ +++ *++ ++ Angle PHI THR 106 251.00 289.00 6 3.79 14.13 + + + *+ + 80 violated distance constraints. 71 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 10.87 +/- 1.71 A (7.52..13.47 A) Average heavy atom RMSD to mean : 11.38 +/- 1.73 A (8.04..14.39 A)