Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 217.90 136 0.1067 1.66 123 101.7 0.47 48 3.8527 20.08 2 223.41 155 0.1078 1.55 134 102.8 0.54 47 3.9129 19.40 3 225.83 142 0.1076 2.59 136 107.1 0.54 56 4.3527 19.64 4 227.96 144 0.1081 1.71 153 109.6 0.55 45 4.1175 19.47 5 229.51 156 0.1096 1.63 128 105.0 0.48 46 4.2503 20.12 6 231.05 166 0.1081 1.47 148 113.4 0.56 45 4.1596 18.61 7 234.30 145 0.1096 2.44 145 108.8 0.56 43 4.2320 20.03 8 234.31 154 0.1105 1.60 143 108.0 0.57 46 4.0284 19.35 9 237.45 160 0.1106 1.54 149 111.7 0.48 47 4.1091 20.64 10 237.95 159 0.1118 2.44 139 107.0 0.47 46 4.4025 24.35 11 238.18 155 0.1115 1.59 132 107.8 0.47 45 4.1719 20.54 12 239.89 142 0.1122 1.90 140 106.6 0.46 47 3.8471 19.33 13 239.91 156 0.1120 1.83 141 108.3 0.51 45 4.1917 20.96 14 240.32 153 0.1103 1.68 168 120.4 0.51 43 4.0684 20.84 15 243.29 162 0.1114 1.95 151 109.7 0.56 48 4.2764 24.04 16 244.28 158 0.1122 2.50 153 110.1 0.57 42 4.1231 19.09 17 244.64 162 0.1128 1.76 147 111.7 0.55 46 4.2883 20.75 18 244.73 155 0.1120 1.73 155 111.0 0.52 51 4.4115 20.66 19 246.22 166 0.1127 1.61 137 114.2 0.53 51 4.2926 20.01 20 246.55 177 0.1145 1.76 129 111.5 0.43 45 4.3513 20.93 Ave 236.38 155 0.1106 1.85 143 109.3 0.52 47 4.1720 20.44 +/- 7.97 9 0.0020 0.34 11 4.0 0.04 3 0.1643 1.41 Min 217.90 136 0.1067 1.47 123 101.7 0.43 42 3.8471 18.61 Max 246.55 177 0.1145 2.59 168 120.4 0.57 56 4.4115 24.35 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 44 - HD2 ARG 44 5.27 8 0.57 0.62 ++ +++ +*+ peak 705 Upper H LEU 45 - HG LEU 45 3.23 6 0.25 0.89 + ++* + + peak 686 Upper QD PHE 47 - QD1 LEU 65 4.18 15 0.63 0.85 +++ +++ +++++ +++* peak 2398 Upper QD PHE 47 - HA ARG 66 4.24 17 0.83 1.04 +++ +++++*+++ ++++ + peak 103 Upper HZ PHE 47 - HG LEU 387 3.81 10 0.42 0.93 + ++ + + +*+ ++ peak 296 Upper H PHE 50 - QB ALA 395 4.39 18 0.73 0.82 ++++++++++ ++++++*+ peak 777 Upper HA PHE 50 - HB2 HIS 51 4.62 17 0.64 0.71 +++++++++++++ +*++ peak 2041 Upper HA PHE 50 - HB3 HIS 51 4.65 20 0.69 0.82 *+++++++++++++++++++ peak 2038 Upper H TYR 52 - HG LEU 396 5.22 8 0.74 1.55 +*+ ++ + + + peak 793 Upper QD TYR 52 - QG2 VAL 419 3.77 9 0.55 0.80 + ++ +* + +++ peak 250 Upper QE TYR 52 - QD PHE 392 3.76 16 0.68 0.79 ++++++ +++*++ ++++ peak 8337 Upper QE TYR 52 - QB ALA 395 4.23 20 1.09 1.16 +++++++++++++++++++* peak 234 Upper QE TYR 52 - HB3 LEU 396 3.47 8 0.70 1.19 +* +++ + + + peak 8330 Upper HA ALA 55 - QG2 THR 56 4.28 20 0.65 0.74 ++++++*+++++++++++++ peak 2114 Upper HB THR 56 - HG2 GLU 60 4.22 19 0.67 0.72 +++++++*+++++++++++ peak 2104 Upper QG2 THR 56 - H LEU 62 5.06 15 0.60 0.67 + ++++++* + ++++++ peak 1774 Upper HG2 PRO 58 - H GLY 421 4.45 10 0.60 0.67 ++ + + ++ + + + * peak 1317 Upper H GLN 59 - HG LEU 62 4.91 16 0.99 1.35 ++ ++++*++ + ++++++ peak 839 Upper QB GLN 59 - H LEU 62 4.02 20 0.78 0.86 +++++++++++++++*++++ peak 881 Upper QB GLN 59 - QB ALA 416 3.15 18 0.68 0.78 ++ +++++++++*++++++ peak 8137 Upper HG3 GLN 59 - H GLU 60 4.14 6 0.22 0.83 + + ++ *+ peak 2220 Upper H GLU 60 - HA ALA 61 4.54 20 0.78 0.85 +++++++++++*++++++++ peak 2256 Upper H ALA 61 - QD2 LEU 62 4.42 10 0.59 0.70 *++++++ + ++ peak 8217 Upper H ALA 61 - H ALA 63 3.31 20 0.79 0.88 +++++++++++*++++++++ peak 178 Upper H LEU 62 - HG LEU 62 3.15 16 0.76 0.98 ++ +++++++ + ++*+++ peak 884 Upper QD1 LEU 62 - H ARG 66 5.40 6 0.57 0.79 + ++ ++ * peak 2306 Upper QD1 LEU 62 - QG1 VAL 388 3.37 16 0.81 1.21 ++ +++++++ + +*++++ peak 8300 Upper QD1 LEU 62 - HG2 PRO 412 5.09 7 0.47 0.67 + + *+ + ++ peak 3750 Upper QD1 LEU 62 - H ALA 415 4.41 15 0.59 0.71 + ++*++++ + ++++++ peak 8310 Upper QD2 LEU 62 - HA GLU 413 3.48 15 0.65 0.81 ++ + +++++ * ++++++ peak 8213 Upper H GLN 64 - HB3 LEU 65 5.31 6 0.49 0.64 + + + + + * peak 2390 Upper HA GLN 64 - HG3 GLN 64 3.36 15 0.52 0.76 + +*++ + ++++ ++++ + peak 1339 Upper H LEU 65 - HG LEU 65 3.51 6 0.22 0.87 *+ + + + + peak 935 Upper QD1 LEU 65 - H GLU 67 5.20 14 0.69 0.87 *++ ++ +++++ + ++ + peak 957 Upper QD1 LEU 65 - HA GLN 391 4.57 17 0.60 0.93 +++ +++++++++ +*++ + peak 3219 Upper QB ARG 66 - H VAL 388 4.88 14 0.66 0.82 ++ ++ ++*+++ + ++ + peak 2448 Upper QG ARG 66 - QG1 VAL 388 3.75 14 0.60 0.78 ++++ + +++*+ + + ++ peak 8198 Upper QB GLU 67 - H GLN 71 4.28 18 0.73 0.95 ++++++++++*++ ++++ + peak 2482 Upper QD2 LEU 68 - H ARG 70 4.65 13 0.63 0.82 ++ + + + ++++ * +++ peak 991 Upper HA CYS 69 - QG2 VAL 388 4.03 14 0.75 1.36 ++++ *+ ++++++ ++ peak 3150 Upper HB3 CYS 69 - H VAL 388 4.45 11 0.57 0.83 + ++ ++ +* + + ++ peak 1116 Upper H ARG 70 - QD1 LEU 387 4.03 10 0.64 0.88 + ++ + * +++ + + peak 990 Upper HA ARG 70 - HD2 ARG 70 3.72 19 0.65 0.75 + *+++++++++++++++++ peak 214 Upper HG2 ARG 70 - H GLN 71 4.03 18 0.68 0.76 *+++ +++++++++++++ + peak 285 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 20 0.71 0.72 +++++++++++++++*++++ peak 214 Upper HB3 TRP 72 - H ARG 74 4.89 6 0.56 0.78 + + * ++ + peak 993 Upper H LEU 73 - HD2 PRO 75 4.79 16 0.67 0.79 +++++ ++++ +++++ +* peak 2707 Upper QD1 LEU 73 - H MET 383 5.16 16 0.69 0.90 *+++++++++ + +++++ peak 1073 Upper HD2 PRO 75 - H ARG 78 4.92 12 0.64 0.77 + + *++++++ + + + peak 301 Upper HB3 ARG 78 - H MET 83 3.95 6 0.57 0.84 + + + + *+ peak 1077 Upper H SER 79 - HA GLN 82 3.70 20 0.86 1.11 ++++++++++++++*+++++ peak 2933 Upper H MET 83 - QD1 LEU 373 5.16 15 0.65 0.98 +++++++++*+ + +++ peak 1073 Upper HA MET 83 - QD1 LEU 84 3.14 20 0.90 1.12 ++++*+++++++++++++++ peak 8316 Upper HB2 MET 83 - QB LEU 84 4.10 18 0.79 0.95 +++++++++++ +++*+++ peak 3000 Upper H LEU 84 - QD1 LEU 87 4.69 6 0.28 0.84 ++ * + ++ peak 3097 Upper QB LEU 84 - QD2 LEU 87 3.08 15 0.81 1.55 +++ ++ + +*+++ ++++ peak 3114 Upper QB LEU 84 - HB VAL 88 4.16 14 0.72 1.00 + ++++++* ++++ ++ peak 3001 Upper QD1 LEU 84 - H LEU 87 4.39 11 0.61 0.88 ++ + ++++ + + *+ peak 8320 Upper H LEU 86 - HG LEU 86 3.52 10 0.42 0.91 + + ++ + + +++ * peak 3075 Upper H LEU 86 - HB VAL 88 3.77 20 0.84 2.44 +++++++++*++++++++++ peak 1092 Upper HG LEU 87 - HZ PHE 347 3.81 9 0.38 1.00 + ++ + * ++ ++ peak 296 Upper QD1 LEU 87 - H ARG 370 4.03 15 0.66 0.89 ++ ++ *++++ + ++ +++ peak 990 Upper QD2 LEU 87 - H GLU 390 4.96 11 0.85 1.48 + ++ ++ *+++ ++ peak 3092 Upper H VAL 88 - QB ARG 366 4.88 16 0.66 0.81 +++++++++ +++ ++ * + peak 2448 Upper H VAL 88 - HB3 CYS 369 4.45 13 0.63 0.77 ++* ++ + ++++ + ++ peak 1116 Upper QG1 VAL 88 - H GLU 90 4.16 17 0.69 0.85 ++++++*+ +++++++ ++ peak 8205 Upper QG1 VAL 88 - QD1 LEU 362 3.37 11 0.68 1.11 + ++ +* ++ ++++ peak 8300 Upper QG1 VAL 88 - QG ARG 366 3.75 14 0.62 0.77 ++ + ++ + *++ ++++ + peak 8198 Upper QG2 VAL 88 - HG3 PRO 112 4.28 14 0.64 0.86 +++ ++++* +++ ++ + peak 3778 Upper QG2 VAL 88 - HA CYS 369 4.03 11 0.67 1.23 + ++ * +++++ ++ peak 3150 Upper QD1 LEU 89 - HD2 PRO 112 4.70 12 0.51 0.89 + + ++++ ++ *++ + peak 3775 Upper H GLU 90 - QD2 LEU 387 4.96 12 0.85 1.44 + ++ ++ * ++++ ++ peak 3092 Upper H GLN 91 - QD PHE 92 4.79 20 0.89 1.03 +++++++++++++++++*++ peak 1149 Upper HA GLN 91 - QD1 LEU 365 4.57 14 0.60 1.33 ++ + ++*+++++ ++ + peak 3219 Upper H PHE 92 - HA LEU 93 4.33 20 0.87 1.08 ++++++++++++++++*+++ peak 428 Upper HB2 PHE 92 - H GLY 94 4.63 18 0.75 0.91 +++++++++++++++* ++ peak 437 Upper QD PHE 92 - QE TYR 352 3.76 19 0.70 0.85 +++++++++ +++++++*++ peak 8337 Upper HZ PHE 92 - HG LEU 118 4.16 20 0.95 1.05 +++++*++++++++++++++ peak 171 Upper HZ PHE 92 - QD1 LEU 362 3.73 9 0.35 0.82 ++ + ++ *++ + peak 8306 Upper H LEU 93 - HG LEU 93 3.73 10 0.39 0.84 ++ * + + + ++++ peak 3285 Upper QB ALA 95 - H PHE 350 4.39 19 0.72 0.80 +++++++++++++*+++++ peak 777 Upper QB ALA 95 - QE TYR 352 4.23 20 1.09 1.17 ++++++++++++++++*+++ peak 234 Upper HA LEU 96 - HG2 PRO 97 3.73 20 0.85 0.89 +++++++++*++++++++++ peak 3408 Upper QD2 LEU 96 - H ILE 100 4.86 13 0.73 1.33 +++ +++* ++ ++++ peak 284 Upper QD2 LEU 96 - HB3 GLN 101 5.44 20 0.92 1.14 ++++++++++++++*+++++ peak 4064 Upper HB2 PRO 97 - HG13 ILE 100 4.74 13 0.64 0.82 + +*+++ ++ ++ + ++ peak 3395 Upper HD2 PRO 97 - HE21 GLN 101 5.08 20 0.65 0.70 +++++++++++++*++++++ peak 3428 Upper HD3 PRO 97 - HG13 ILE 100 4.92 16 0.67 0.82 +++++*++ +++++ + ++ peak 3478 Upper HA PRO 98 - HE21 GLN 101 4.72 20 1.03 1.16 +++++++++++++++++++* peak 476 Upper HA GLU 99 - QD1 ILE 100 4.55 20 0.84 1.08 ++++++++*+++++++++++ peak 2034 Upper QB GLU 99 - QD1 ILE 100 3.24 12 0.57 0.82 + ++++ ++ +++ *+ peak 2725 Upper HG12 ILE 100 - H GLN 101 4.42 19 0.63 0.68 +++*++++++++++ +++++ peak 3493 Upper H GLN 101 - HE21 GLN 101 4.66 7 0.58 0.63 + ++ +++* peak 481 Upper HB3 GLN 101 - HE21 GLN 101 3.79 18 0.63 0.76 ++++++ + +++++*+++++ peak 1197 Upper HG3 GLN 101 - H ARG 103 5.05 20 0.72 0.86 ++++++++++++++*+++++ peak 4102 Upper HE22 GLN 101 - QB ALA 115 5.45 20 1.53 1.75 +++++++++++++++++++* peak 1207 Upper QB ALA 102 - QG GLN 105 3.94 7 0.39 0.63 * ++ + ++ + peak 4097 Upper HA ARG 103 - QQG VAL 104 3.90 16 0.63 0.69 *+++ + ++++ ++ +++++ peak 3578 Upper H VAL 104 - QB GLN 105 4.24 6 0.45 0.71 ++ +* + + peak 3604 Upper QB GLN 107 - H LEU 118 4.68 9 0.55 0.76 ++ + + +++* + peak 3622 Upper HG2 PRO 112 - QD1 LEU 362 5.09 6 0.33 0.66 +* + + ++ peak 3750 Upper HG3 PRO 112 - HG LEU 362 4.14 9 0.71 1.66 *+ + ++ +++ + peak 3779 Upper H GLU 113 - HA GLU 114 4.39 20 0.73 0.80 ++++++++++++*+++++++ peak 3875 Upper HA GLU 113 - H ALA 117 4.25 9 0.59 0.74 + + + + + +*++ peak 575 Upper HA GLU 113 - QD2 LEU 362 3.48 11 0.58 0.80 + ++ ++ ++ *+++ peak 8213 Upper HG3 GLU 113 - H GLU 114 4.41 11 0.35 0.65 + *+ ++ ++ ++++ peak 3819 Upper H GLU 114 - QD2 LEU 118 4.61 7 0.58 0.74 + ++ * ++ + peak 1278 Upper QB GLU 114 - H ALA 117 4.06 20 0.77 0.84 ++++*+++++++++++++++ peak 1292 Upper H ALA 115 - QD1 LEU 362 4.41 7 0.50 0.74 + ++ *+ ++ peak 8310 Upper QB ALA 115 - H ALA 117 3.72 20 0.72 0.80 +++++*++++++++++++++ peak 1295 Upper QB ALA 116 - QB GLN 359 3.15 19 0.71 0.80 +++++++*++++++++ +++ peak 8137 Upper HA LEU 118 - QD2 LEU 118 2.76 7 0.54 0.69 * ++ ++++ peak 887 Upper H VAL 119 - HA ASP 120 4.69 18 0.62 0.65 ++++++ +*++++ ++++++ peak 626 Upper H GLY 121 - HG2 PRO 358 4.45 9 0.59 0.66 +++ + *++ + + peak 1317 Upper HG2 PRO 340 - HD1 TRP 372 3.44 7 0.56 0.72 + ++ * +++ peak 221 Upper QB ALA 343 - HD1 TRP 372 3.78 7 0.55 0.73 * + ++ ++ + peak 1651 Upper H ARG 344 - HD2 ARG 344 5.27 11 0.56 0.64 +++ * + ++ + ++ + peak 705 Upper H LEU 345 - HG LEU 345 3.23 6 0.25 0.88 + + *++ + peak 686 Upper QD PHE 347 - QD1 LEU 365 4.18 15 0.61 0.91 +++++++ +++++ ++ * peak 2398 Upper QD PHE 347 - HA ARG 366 4.24 17 0.80 0.96 +++++++++++++ +* + + peak 103 Upper HA PHE 350 - HB2 HIS 351 4.62 16 0.61 0.71 ++++++++++ ++++*+ peak 2041 Upper HA PHE 350 - HB3 HIS 351 4.65 20 0.71 0.99 ++++++++++++++++++*+ peak 2038 Upper HA ALA 355 - QG2 THR 356 4.28 18 0.64 0.71 +*+++++++++++ ++++ + peak 2114 Upper HB THR 356 - HG2 GLU 360 4.22 19 0.67 0.74 ++*+++++++++ +++++++ peak 2104 Upper QG2 THR 356 - H LEU 362 5.06 12 0.59 0.71 + ++ +* +++ ++++ peak 1774 Upper QG2 THR 356 - HE21 GLN 364 3.68 6 0.34 0.67 ++ ++ * + peak 1772 Upper H GLN 359 - HG LEU 362 4.91 11 0.69 1.30 + ++ ++ ++ +++* peak 839 Upper QB GLN 359 - H LEU 362 4.02 20 0.76 0.82 +++++++*++++++++++++ peak 881 Upper H GLU 360 - HA ALA 361 4.54 20 0.80 0.86 ++++++++++++*+++++++ peak 2256 Upper HB3 GLU 360 - HE22 GLN 364 4.44 6 0.39 0.71 + ++ +* + peak 925 Upper H ALA 361 - H ALA 363 3.31 20 0.82 0.92 +*++++++++++++++++++ peak 178 Upper H LEU 362 - HG LEU 362 3.15 11 0.53 0.98 + ++ ++ ++ *+++ peak 884 Upper QD1 LEU 362 - H ARG 366 5.40 6 0.51 0.78 * ++ + + + peak 2306 Upper HA GLN 364 - HG3 GLN 364 3.36 12 0.41 0.72 + ++++* +++ + + + peak 1339 Upper HA GLN 364 - HE22 GLN 364 4.93 8 0.41 1.16 *+ ++ ++ + + peak 394 Upper QD1 LEU 365 - H GLU 367 5.20 16 0.68 0.90 +++++++ +++++ ++ * + peak 957 Upper QB GLU 367 - H GLN 371 4.28 18 0.74 0.98 ++ ++++++*++++++++ + peak 2482 Upper HG2 GLU 367 - HG2 GLN 371 4.25 7 0.57 0.75 * + + ++++ peak 2455 Upper QD2 LEU 368 - H CYS 369 3.83 6 0.56 0.75 ++ * ++ + peak 2535 Upper QD2 LEU 368 - H ARG 370 4.65 12 0.64 0.81 *+++ + + + +++ + + peak 991 Upper HA ARG 370 - HD2 ARG 370 3.72 17 0.65 0.76 ++ ++++++*++ +++++ + peak 214 Upper HG2 ARG 370 - H GLN 371 4.03 19 0.68 0.74 ++++++++++++ *++++++ peak 285 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 20 0.71 0.72 +++++++++++++++*++++ peak 214 Upper H LEU 373 - HD2 PRO 375 4.79 14 0.66 0.84 ++ +++++++ ++++* peak 2707 Upper HD2 PRO 375 - H ARG 378 4.92 17 0.67 0.85 +++ +++ +++ +++++*++ peak 301 Upper HB3 ARG 378 - H MET 383 3.95 9 0.57 0.89 +++ +* ++++ peak 1077 Upper H SER 379 - HA GLN 382 3.70 20 0.86 1.09 +++++++++++++++++*++ peak 2933 Upper HA MET 383 - QD1 LEU 384 3.14 20 0.92 1.14 +++++++++*++++++++++ peak 8316 Upper HB2 MET 383 - QB LEU 384 4.10 19 0.80 0.94 +++++*+++++ ++++++++ peak 3000 Upper H LEU 384 - QD1 LEU 387 4.69 8 0.32 0.69 + + + +++ *+ peak 3097 Upper QB LEU 384 - QD2 LEU 387 3.08 12 0.74 1.38 + + ++ ++ * +++++ peak 3114 Upper QB LEU 384 - HB VAL 388 4.16 13 0.76 1.02 ++++ + ++ ++*+ ++ peak 3001 Upper QD1 LEU 384 - H LEU 387 4.39 12 0.61 0.84 + ++ *+++ + ++ ++ peak 8320 Upper H LEU 386 - HB VAL 388 3.77 19 1.02 2.59 ++*++++++++++++++ ++ peak 1092 Upper QG1 VAL 388 - H GLU 390 4.16 16 0.66 0.85 ++ +++ ++++++* ++++ peak 8205 Upper QG2 VAL 388 - HG3 PRO 412 4.28 8 0.55 0.85 + + ++* + + + peak 3778 Upper QD1 LEU 389 - HD2 PRO 412 4.70 7 0.29 0.90 + ++ ++ + * peak 3775 Upper H GLN 391 - QD PHE 392 4.79 20 0.90 0.96 +++++++++++++++++*++ peak 1149 Upper H PHE 392 - HA LEU 393 4.33 20 0.87 1.03 +++++++++++++++++*++ peak 428 Upper HB2 PHE 392 - H GLY 394 4.63 20 0.76 1.03 +++*++++++++++++++++ peak 437 Upper HZ PHE 392 - HG LEU 418 4.16 20 0.94 1.07 ++++++*+++++++++++++ peak 171 Upper H LEU 393 - HG LEU 393 3.73 8 0.31 0.81 + +++ *+ ++ peak 3285 Upper H LEU 396 - HG LEU 396 3.38 6 0.25 0.86 * ++ + + + peak 1185 Upper HA LEU 396 - HG2 PRO 397 3.73 20 0.85 0.89 ++++++++*+++++++++++ peak 3408 Upper QD2 LEU 396 - HG2 PRO 397 4.44 6 0.34 0.90 + ++ * + + peak 1748 Upper QD2 LEU 396 - H ILE 400 4.86 10 0.79 1.34 + + +++*+ ++ + peak 284 Upper QD2 LEU 396 - HG13 ILE 400 5.34 6 0.27 0.94 + ++ * + + peak 3471 Upper QD2 LEU 396 - QD1 ILE 400 3.41 6 0.30 0.86 + *+ + + + peak 3472 Upper QD2 LEU 396 - HB3 GLN 401 5.44 20 0.89 0.96 ++++++++++++++*+++++ peak 4064 Upper QD2 LEU 396 - H VAL 419 5.05 6 0.22 0.82 * ++ + + + peak 1315 Upper HB2 PRO 397 - HG13 ILE 400 4.74 14 0.66 0.86 ++++ +++*+ +++ ++ peak 3395 Upper HD2 PRO 397 - HE21 GLN 401 5.08 18 0.58 0.68 +++ ++ ++++*++++++++ peak 3428 Upper HD3 PRO 397 - HG13 ILE 400 4.92 16 0.69 0.87 +++++*++++ + +++ ++ peak 3478 Upper HA PRO 398 - HE21 GLN 401 4.72 18 0.97 1.16 +++ ++ ++*++++++++++ peak 476 Upper HA PRO 398 - HE22 GLN 401 4.80 8 0.64 1.71 *+ + ++ + + + peak 478 Upper HA GLU 399 - QD1 ILE 400 4.55 20 0.86 1.08 ++++++++++++++++*+++ peak 2034 Upper QB GLU 399 - QD1 ILE 400 3.24 9 0.57 0.85 + * ++ + ++ ++ peak 2725 Upper HG12 ILE 400 - H GLN 401 4.42 20 0.65 0.71 +++*++++++++++++++++ peak 3493 Upper HB3 GLN 401 - HE21 GLN 401 3.79 14 0.56 0.68 +++ + ++ ++*+++++ peak 1197 Upper HG3 GLN 401 - H ARG 403 5.05 19 0.69 0.82 +++ ++++++++++++++*+ peak 4102 Upper HE22 GLN 401 - QB ALA 415 5.45 20 1.58 2.03 ++++++*+++++++++++++ peak 1207 Upper QB ALA 402 - QG GLN 405 3.94 7 0.39 0.66 ++ + *+ ++ peak 4097 Upper HA ARG 403 - QQG VAL 404 3.90 15 0.63 0.68 ++++ + + ++ +++*++ + peak 3578 Upper H VAL 404 - QB GLN 405 4.24 6 0.45 0.76 *++ ++ + peak 3604 Upper QB GLN 407 - H LEU 418 4.68 7 0.51 0.72 ++ + + ++ * peak 3622 Upper H GLU 413 - HA GLU 414 4.39 20 0.71 0.78 *+++++++++++++++++++ peak 3875 Upper HA GLU 413 - H ALA 417 4.25 13 0.63 0.79 *+ ++ +++ + + ++++ peak 575 Upper HG3 GLU 413 - H GLU 414 4.41 15 0.51 0.69 ++ *++++++ + + ++++ peak 3819 Upper QB GLU 414 - H ALA 417 4.06 20 0.77 0.84 +++++++++++*++++++++ peak 1292 Upper QB ALA 415 - H ALA 417 3.72 20 0.72 0.79 ++++++*+++++++++++++ peak 1295 Upper HA LEU 418 - QD2 LEU 418 2.76 7 0.56 0.68 + +* + + + + peak 887 Upper H VAL 419 - HA ASP 420 4.69 16 0.62 0.66 +++ ++ +*++++ ++ +++ peak 626 Upper HA LEU 422 - QD2 LEU 422 2.76 7 0.29 0.88 + + + + + *+ peak 934 VdW HA2 GLY 39 - CD PRO 40 2.60 14 0.21 0.23 + ++ +++++ ++++*+ VdW HB2 PRO 40 - HD1 TRP 72 2.00 17 0.23 0.27 *++++++++ ++ ++++++ VdW HD3 ARG 44 - HH11 ARG 44 1.95 6 0.09 0.30 + * ++ + + VdW CD1 LEU 45 - C LEU 45 3.10 6 0.09 0.25 * ++ + + + VdW HB2 PHE 47 - HB3 LEU 68 2.00 15 0.26 0.42 +++++++ ++ +++ *++ VdW CE1 PHE 47 - HB3 CYS 69 2.60 7 0.14 0.41 + ++ + + +* VdW CZ PHE 47 - HB3 CYS 69 2.60 12 0.19 0.32 ++ * ++ +++++ + + VdW CZ PHE 47 - HB2 GLN 391 2.60 7 0.18 0.27 *++ + +++ VdW HZ PHE 47 - HA VAL 388 2.00 20 0.40 0.54 ++*+++++++++++++++++ VdW CE2 PHE 47 - HB3 CYS 69 2.60 12 0.23 0.43 ++++++ * ++++ + VdW HZ PHE 50 - HA ALA 61 2.00 6 0.18 0.23 ++ +* ++ VdW N HIS 51 - CG HIS 51 2.85 19 0.21 0.22 +++++++++++++++*+++ VdW CD1 TYR 52 - CD1 LEU 396 3.20 6 0.10 0.35 + +* + + + VdW HE1 TYR 52 - CA PRO 58 2.60 6 0.08 0.25 +*+ + ++ VdW HE2 TYR 52 - CA PRO 58 2.60 8 0.14 0.27 + +* +++ ++ VdW HE2 TYR 52 - HA PRO 58 2.00 10 0.15 0.26 + +* +++ ++++ VdW OH TYR 52 - HD3 PRO 58 2.30 10 0.20 0.29 +++ * + + + +++ VdW OG1 THR 56 - CD GLU 60 2.80 18 0.33 0.43 +++++ +++++*+++++++ VdW CG2 THR 56 - HG2 GLU 60 2.60 20 0.33 0.43 ++++++*+++++++++++++ VdW HB2 PRO 58 - CB ALA 416 2.60 7 0.21 0.40 + ++ + + +* VdW HB2 PRO 58 - HB2 ALA 416 2.00 6 0.07 0.29 + + + + + * VdW CG PRO 58 - O ALA 416 2.90 19 0.28 0.32 +++++++*+++++++ ++++ VdW HG3 PRO 58 - O ALA 416 2.30 15 0.22 0.30 ++++++ + ++ +* ++++ VdW HA LEU 62 - CD1 LEU 62 2.60 16 0.22 0.30 ++ ++++*++ + ++++++ VdW CD1 LEU 62 - CB PRO 412 3.20 9 0.16 0.28 ++ ++ + + *++ VdW CD1 LEU 62 - HB2 PRO 412 2.60 16 0.35 0.47 ++ ++*++++ + ++++++ VdW H GLN 64 - CG GLN 64 2.55 20 0.29 0.36 +++*++++++++++++++++ VdW H GLN 64 - HG2 GLN 64 1.95 18 0.25 0.30 + ++++++ ++++*++++++ VdW HA ARG 66 - CG2 VAL 388 2.60 17 0.25 0.35 ++ +++ ++++++++ +*++ VdW CG GLU 67 - C GLU 67 2.90 19 0.22 0.24 +++++++*++++++++++ + VdW HG2 GLU 67 - N LEU 68 2.45 11 0.19 0.29 ++ + *+++++ ++ VdW O GLU 67 - CG GLN 71 2.90 10 0.16 0.24 + + ++* +++ ++ VdW CA LEU 68 - CD1 LEU 68 3.00 15 0.19 0.27 +*+++++ ++ ++ ++++ VdW HA LEU 68 - CD1 LEU 68 2.60 14 0.29 0.49 ++++++* ++ ++ +++ VdW HA CYS 69 - HE3 TRP 72 2.00 12 0.25 0.42 ++ +++ ++++ + *+ VdW SG CYS 69 - HB3 LEU 384 2.80 15 0.27 0.48 ++ +++ ++ +++++ + *+ VdW SG CYS 69 - CG2 VAL 388 3.40 12 0.21 0.39 ++ + + +++*+ + + + VdW O CYS 69 - HG LEU 73 2.30 10 0.20 0.28 + ++ ++ +++ *+ VdW O ARG 70 - N ARG 74 2.75 16 0.25 0.32 *++++++ ++ ++ +++++ VdW O ARG 70 - H ARG 74 1.80 8 0.19 0.32 + *+ + + +++ VdW CG TRP 72 - C TRP 72 2.90 20 0.22 0.23 ++++++++++++++*+++++ VdW CD1 TRP 72 - C TRP 72 3.10 6 0.18 0.24 + + + ++ * VdW CD1 TRP 72 - O TRP 72 2.90 12 0.22 0.32 +++ + ++ +* ++ + + VdW HZ2 TRP 72 - O LEU 86 2.30 7 0.17 0.25 + ++ +++ * VdW HB3 ARG 74 - CG2 VAL 77 2.60 10 0.16 0.28 + + + ++ * + +++ VdW HG2 PRO 75 - HB3 LYS 380 2.00 8 0.17 0.34 + ++ + * + + + VdW CG GLU 76 - C GLU 76 2.90 9 0.13 0.21 + + +* ++ + + + VdW HB3 LYS 80 - HG2 PRO 375 2.00 6 0.16 0.27 + * + ++ + VdW O LYS 80 - CD2 LEU 84 2.90 8 0.12 0.34 ++ + + ++*+ VdW HA GLU 81 - CD2 LEU 84 2.60 7 0.11 0.40 *+ + + + ++ VdW O GLN 82 - HG LEU 86 2.30 9 0.16 0.44 ++++ + + + * + VdW N LEU 84 - CD1 LEU 84 3.05 9 0.24 0.57 ++ + + + ++*+ VdW N LEU 84 - CD2 LEU 84 3.05 10 0.15 0.32 ++ + * +++ +++ VdW H LEU 84 - CG LEU 84 2.55 8 0.14 0.26 ++ + + ++ *+ VdW H LEU 84 - CD1 LEU 84 2.55 7 0.11 0.32 *+ + + +++ VdW HB3 LEU 84 - SG CYS 369 2.80 17 0.31 0.52 ++++ ++*+ +++++++ ++ VdW O LEU 84 - CD2 LEU 87 2.90 10 0.14 0.39 +++ +* + + + ++ VdW O LEU 84 - HD22 LEU 87 2.30 6 0.10 0.42 + ++ + * + VdW O GLU 85 - HG3 PRO 112 2.30 6 0.11 0.31 * + ++ + + VdW CD1 LEU 87 - N VAL 88 3.05 8 0.11 0.30 + *+ + + + ++ VdW HA VAL 88 - HZ PHE 347 2.00 20 0.40 0.50 ++*+++++++++++++++++ VdW CG1 VAL 88 - C VAL 88 2.90 11 0.20 0.27 +++ ++ ++ *++ + VdW HG12 VAL 88 - C VAL 88 2.50 8 0.16 0.41 + + * ++++ + VdW HG12 VAL 88 - HB3 PRO 112 2.00 7 0.10 0.28 + + + + +* + VdW HG13 VAL 88 - C VAL 88 2.50 6 0.12 0.44 + + + *+ + VdW CG2 VAL 88 - HA ARG 366 2.60 19 0.28 0.35 +++++++++ ++++++*+++ VdW CG2 VAL 88 - SG CYS 369 3.40 15 0.26 0.42 +++++++++ +++*++ VdW HB2 LEU 89 - HD3 PRO 112 2.00 13 0.23 0.38 + + ++*++++ +++ + VdW HA GLN 91 - CD GLN 91 2.50 8 0.18 0.25 *++ + + + ++ VdW HB2 GLN 91 - CZ PHE 347 2.60 8 0.16 0.30 + + + ++ + +* VdW HE1 PHE 92 - CB ALA 115 2.60 9 0.18 0.48 ++++++ + *+ VdW HE2 PHE 92 - CB ALA 115 2.60 11 0.24 0.48 ++ ++++ + +*++ VdW O LEU 93 - NE2 GLN 101 2.75 20 0.37 0.47 ++++++++++++++++*+++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 16 0.22 0.33 ++++++++ *++++++ + VdW CD2 LEU 96 - CD2 TYR 352 3.20 8 0.12 0.23 ++ + + *++ + VdW O LEU 96 - NE2 GLN 101 2.75 19 0.26 0.36 ++++++++++++++ ++++* VdW CG PRO 97 - CD1 ILE 100 3.20 19 0.24 0.27 ++++++++++++++ ++*++ VdW O PRO 97 - HB2 GLN 101 2.30 8 0.18 0.22 * + + + ++ + + VdW CG GLU 99 - C GLU 99 2.90 7 0.08 0.22 +++ * + + + VdW O ILE 100 - HB2 ARG 103 2.30 10 0.19 0.26 + + + + + + *+++ VdW O GLN 101 - CG1 VAL 104 2.90 16 0.22 0.31 ++++ + ++++ +* +++++ VdW HG3 PRO 109 - HB1 ALA 115 2.00 6 0.11 0.29 * ++ + ++ VdW CB SER 111 - HD2 PRO 112 2.60 9 0.20 0.26 ++ + ++ ++ *+ VdW CB PRO 112 - CD1 LEU 362 3.20 6 0.11 0.22 + * ++ + + VdW HB2 PRO 112 - CD1 LEU 362 2.60 11 0.24 0.48 * ++ ++ ++ ++++ VdW HB2 PRO 112 - CD2 LEU 362 2.60 9 0.16 0.38 ++ + ++ *++ + VdW O GLU 114 - CD2 LEU 118 2.90 19 0.25 0.31 ++++++*+++++++++ +++ VdW HA ALA 115 - CG LEU 118 2.60 8 0.19 0.33 + + ++++ * + VdW O ALA 115 - HG LEU 118 2.30 6 0.16 0.33 + + + + +* VdW CB ALA 116 - HB2 PRO 358 2.60 10 0.24 0.42 ++ + ++ +++* + VdW O ALA 116 - HB2 ASP 120 2.30 17 0.30 0.37 +++++ ++++++++++ * + VdW O ALA 116 - CG PRO 358 2.90 17 0.26 0.33 ++++* +++++++ ++ +++ VdW O ALA 116 - HG3 PRO 358 2.30 15 0.22 0.33 +++++ ++ +++* ++ + + VdW H LEU 118 - CG LEU 118 2.55 20 0.27 0.31 ++++++++++++++*+++++ VdW O VAL 119 - HG3 ARG 123 2.30 6 0.10 0.24 + + + *+ + VdW O LEU 122 - C ARG 123 2.80 14 0.28 0.48 +++++ +* +++ ++++ VdW HA2 GLY 339 - CD PRO 340 2.60 9 0.20 0.23 + + + + ++ +*+ VdW HB2 PRO 340 - HD1 TRP 372 2.00 15 0.22 0.28 ++ +++++++ + ++*++ VdW CD1 LEU 345 - C LEU 345 3.10 7 0.08 0.24 + + ++ +*+ VdW HB2 PHE 347 - HB3 LEU 368 2.00 16 0.28 0.39 ++ ++++ +++++++++* VdW CE1 PHE 347 - HB3 CYS 369 2.60 13 0.24 0.42 ++++ + ++ +*++ ++ VdW CZ PHE 347 - HB3 CYS 369 2.60 9 0.18 0.30 + + ++ + + +*+ VdW CE2 PHE 347 - HB3 CYS 369 2.60 6 0.14 0.57 + + * ++ + VdW HZ PHE 350 - HA ALA 361 2.00 8 0.18 0.26 + ++ +*+ + + VdW N HIS 351 - CG HIS 351 2.85 17 0.20 0.22 ++++++++++ ++++*+ + VdW HE1 TYR 352 - CA PRO 358 2.60 11 0.15 0.25 ++++ + *+++ + + VdW HE1 TYR 352 - HA PRO 358 2.00 14 0.17 0.30 ++++ + + ++*+ + +++ VdW OH TYR 352 - HD3 PRO 358 2.30 14 0.21 0.27 ++ + ++ ++ +++*+++ VdW OG1 THR 356 - CB GLU 360 2.90 6 0.18 0.22 + ++ + + * VdW OG1 THR 356 - CD GLU 360 2.80 19 0.32 0.40 ++++++++++++ ++++++* VdW CG2 THR 356 - HG2 GLU 360 2.60 19 0.31 0.37 ++*+++++++++ +++++++ VdW HA LEU 362 - CD1 LEU 362 2.60 11 0.15 0.29 + ++ ++ ++ *+++ VdW N GLN 364 - HG2 GLN 364 2.45 7 0.12 0.32 + ++ ++ * + VdW H GLN 364 - CG GLN 364 2.55 18 0.27 0.33 + ++++++++++*++++++ VdW H GLN 364 - HG2 GLN 364 1.95 17 0.23 0.31 + +++++ +++++++*+++ VdW O GLN 364 - HG LEU 368 2.30 7 0.10 0.33 ++ + + ++ * VdW CG GLU 367 - C GLU 367 2.90 19 0.22 0.24 ++ ++++++++++++++++* VdW HG2 GLU 367 - N LEU 368 2.45 11 0.20 0.30 + + *++ ++ ++++ VdW O GLU 367 - CG GLN 371 2.90 11 0.19 0.34 *++ ++ + ++++ + VdW CA LEU 368 - CD1 LEU 368 3.00 13 0.17 0.27 ++++* + + ++++++ VdW HA LEU 368 - CD1 LEU 368 2.60 12 0.23 0.49 ++++ + + ++++*+ VdW HA CYS 369 - HE3 TRP 372 2.00 15 0.25 0.36 ++ ++++++++++++ * VdW SG CYS 369 - N ARG 370 3.25 9 0.16 0.33 * ++ + + + + ++ VdW O CYS 369 - HG LEU 373 2.30 12 0.18 0.26 ++++ +*+ + ++ ++ VdW O ARG 370 - N ARG 374 2.75 18 0.25 0.31 +*++++++++++++++++ VdW O ARG 370 - H ARG 374 1.80 12 0.19 0.29 +++ ++ + ++++* + VdW H GLN 371 - CG GLN 371 2.55 6 0.17 0.26 * ++++ + VdW CG TRP 372 - C TRP 372 2.90 19 0.22 0.23 +++*+++++++++++++ ++ VdW CD1 TRP 372 - O TRP 372 2.90 15 0.21 0.30 + ++++++ +++ *+++ + VdW HA LEU 373 - CD1 LEU 386 2.60 6 0.13 0.39 + + ++ * + VdW CG GLU 376 - C GLU 376 2.90 8 0.11 0.21 + ++ ++* + + VdW O LYS 380 - CD2 LEU 384 2.90 8 0.11 0.33 + + ++ + + *+ VdW HA GLU 381 - CD2 LEU 384 2.60 7 0.12 0.39 + + ++ + +* VdW O GLN 382 - HG LEU 386 2.30 15 0.26 0.45 + + ++++++++* ++++ VdW N LEU 384 - CD1 LEU 384 3.05 8 0.21 0.56 + + +* + + ++ VdW N LEU 384 - CD2 LEU 384 3.05 12 0.16 0.33 + + + ++++* + ++ + VdW H LEU 384 - CG LEU 384 2.55 10 0.16 0.27 + + + +++ + *+ + VdW H LEU 384 - CD1 LEU 384 2.55 8 0.11 0.34 + + *+ + + ++ VdW O LEU 384 - HD22 LEU 387 2.30 6 0.10 0.44 + ++ + * + VdW O GLU 385 - HG3 PRO 412 2.30 8 0.18 0.33 + * ++ + ++ + VdW CD1 LEU 387 - N VAL 388 3.05 9 0.13 0.30 ++ + + +++ +* VdW CG1 VAL 388 - C VAL 388 2.90 8 0.17 0.25 + ++ ++ * ++ VdW HG12 VAL 388 - C VAL 388 2.50 7 0.13 0.44 + + * +++ + VdW HG12 VAL 388 - HB3 PRO 412 2.00 6 0.09 0.32 + + + * + + VdW HB2 LEU 389 - HD3 PRO 412 2.00 7 0.18 0.36 + +* ++ + + VdW HA GLN 391 - CD GLN 391 2.50 10 0.19 0.26 +*+ +++ + ++ + VdW HE1 PHE 392 - CB ALA 415 2.60 9 0.19 0.48 ++ ++ + ++ + * VdW HE2 PHE 392 - CB ALA 415 2.60 11 0.24 0.47 ++ + +++ + + +* + VdW O LEU 393 - HB2 LEU 396 2.30 6 0.07 0.27 * ++ + + + VdW O LEU 393 - NE2 GLN 401 2.75 20 0.38 0.54 +++*++++++++++++++++ VdW HB3 LEU 396 - HD2 PRO 397 2.00 13 0.19 0.32 +++ +++* + +++ ++ VdW O LEU 396 - NE2 GLN 401 2.75 18 0.25 0.36 +++ ++ +++*+++++++++ VdW CG PRO 397 - CD1 ILE 400 3.20 18 0.24 0.27 +++++ ++ *++++++++++ VdW O PRO 397 - HB2 GLN 401 2.30 10 0.17 0.24 ++++ + + ++ +* VdW CG GLU 399 - C GLU 399 2.90 7 0.09 0.21 ++ + + +* + VdW O ILE 400 - HB2 ARG 403 2.30 9 0.20 0.27 + + + * + +++ + VdW O GLN 401 - CG1 VAL 404 2.90 16 0.21 0.29 +++* + ++++ ++++++ + VdW CG2 VAL 404 - CD1 LEU 418 3.20 9 0.17 0.30 ++ * + +++ + + VdW HG3 PRO 409 - HB1 ALA 415 2.00 6 0.10 0.26 + *+ ++ + VdW CB SER 411 - HD2 PRO 412 2.60 10 0.20 0.26 + * + ++ + + ++ + VdW O GLU 414 - CD2 LEU 418 2.90 18 0.24 0.33 +++++*+++++++++ +++ VdW HA ALA 415 - CG LEU 418 2.60 11 0.21 0.30 ++ ++ ++++ + +* VdW O ALA 416 - HB2 ASP 420 2.30 18 0.32 0.39 ++++++++*++ +++ ++++ VdW H LEU 418 - CG LEU 418 2.55 20 0.26 0.31 ++++++*+++++++++++++ VdW O LEU 422 - C ARG 423 2.80 10 0.21 0.47 + + ++ ++ +++* Angle PSI CYS 49 -51.00 -5.00 11 5.45 8.26 + + + +* +++ ++ + Angle PHI ALA 55 -80.00 -58.00 10 5.15 6.07 + + ++ * +++++ Angle PSI THR 56 -15.00 15.00 20 7.76 9.73 ++*+++++++++++++++++ Angle PSI PRO 58 -41.00 -31.00 17 7.90 9.40 *+ +++++++ ++ ++++++ Angle PHI GLN 59 -77.00 -57.00 20 11.14 13.84 ++++++++*+++++++++++ Angle PSI GLN 59 -46.00 -26.00 13 5.84 8.53 +++ ++ + ++*+ + ++ Angle PHI ARG 66 -76.00 -56.00 8 4.11 7.34 ++ + *+ + ++ Angle PHI GLN 71 -76.00 -56.00 19 7.07 8.88 +++++++++++ +++*++++ Angle PHI VAL 77 -118.00 -86.00 17 6.62 10.61 +++++ +++++++ + ++*+ Angle PSI VAL 77 -29.00 -5.00 9 4.65 7.33 + + *+ ++ + + + Angle PSI LYS 80 -48.00 -28.00 19 10.77 15.28 +++*+++++++++++++++ Angle PSI GLU 81 -50.00 -30.00 6 3.75 8.11 + + ++ +* Angle PHI GLU 85 -75.00 -55.00 19 7.85 11.61 +++++++++ ++++++*+++ Angle PSI GLU 85 -54.00 -34.00 19 10.08 24.35 +++++++++* +++++++++ Angle PHI VAL 88 -78.00 -58.00 9 3.78 8.13 + +* + + ++ ++ Angle PSI GLU 90 -52.00 -32.00 14 5.55 7.40 +++ +++++++ * + ++ Angle PHI GLN 91 -74.00 -54.00 14 6.56 10.77 +++ +++ +++++ +*+ Angle PSI PRO 97 132.20 154.90 20 19.89 24.04 ++++++++++++++*+++++ Angle PSI PRO 98 -46.00 -28.00 20 12.35 16.43 +++++++++++++++++*++ Angle PHI GLU 99 -76.00 -56.00 20 15.60 20.71 +++++++++++++++++++* Angle PSI GLN 101 -51.00 -31.00 11 4.98 11.15 + + + + + + *++++ Angle PSI ALA 102 -51.00 -31.00 18 5.68 10.86 ++++++++++ ++*+++++ Angle PHI ARG 103 -73.00 -53.00 9 4.92 7.46 ++ ++ + ++ +* Angle PHI VAL 104 -77.00 -57.00 12 5.12 6.66 +*++ + ++ + ++++ Angle PSI ALA 115 -49.00 -29.00 16 5.63 7.91 ++++++ ++++ +* ++++ Angle PSI ALA 116 -50.00 -30.00 13 5.15 7.76 ++++ +++++ +*+ + Angle PHI ALA 117 -74.00 -54.00 12 5.40 11.16 +++ +++++ *+ + + Angle PSI LEU 118 -48.00 -28.00 8 4.55 8.40 + + ++ + * + + Angle PHI GLY 121 -84.00 -58.00 11 5.52 7.86 ++++* + + ++ + + Angle PSI CYS 349 -51.00 -5.00 11 5.70 8.71 ++ + ++ + +* + ++ Angle PHI ALA 355 -80.00 -58.00 11 5.17 6.54 + + ++ *+ + ++++ Angle PSI THR 356 -15.00 15.00 20 8.12 10.10 +++++++++++*++++++++ Angle PSI PRO 358 -41.00 -31.00 16 6.68 8.93 +++++ +++++++ +*++ Angle PHI GLN 359 -77.00 -57.00 20 9.89 13.02 ++++++++++++++*+++++ Angle PSI GLN 359 -46.00 -26.00 15 5.83 8.93 + ++ *+++ ++ ++++++ Angle PHI GLN 371 -76.00 -56.00 17 6.43 9.05 +*++++ +++++ ++ ++++ Angle PHI VAL 377 -118.00 -86.00 19 7.31 12.11 + +++++++++*++++++++ Angle PSI VAL 377 -29.00 -5.00 9 4.81 6.46 + + ++ + + ++ * Angle PSI LYS 380 -48.00 -28.00 20 11.36 16.17 +++++++++++++++++*++ Angle PSI GLU 381 -50.00 -30.00 10 5.15 9.19 + + ++ +* + + ++ Angle PHI GLU 385 -75.00 -55.00 14 6.92 13.29 ++++ +* ++ + ++++ + Angle PSI GLU 385 -54.00 -34.00 20 11.46 16.58 +++++++++++++++*++++ Angle PHI VAL 388 -78.00 -58.00 10 4.22 9.58 + ++ + + +++ *+ Angle PSI GLU 390 -52.00 -32.00 11 5.35 8.41 + + +*+++ ++ + + Angle PHI GLN 391 -74.00 -54.00 13 6.22 11.17 + ++ + ++ ++++ +*+ Angle PSI PRO 397 132.20 154.90 20 19.70 20.79 +++++++++++++++++++* Angle PSI PRO 398 -46.00 -28.00 20 13.05 16.50 ++++++++++++*+++++++ Angle PHI GLU 399 -76.00 -56.00 20 16.30 20.96 ++++++++++++*+++++++ Angle PHI GLN 401 -71.00 -51.00 6 4.40 5.88 + ++ + * + Angle PSI GLN 401 -51.00 -31.00 11 4.61 7.74 +++ + * + ++++ + Angle PSI ALA 402 -51.00 -31.00 14 5.35 6.31 ++++ + ++ +++++ +* Angle PHI VAL 404 -77.00 -57.00 16 5.42 6.69 ++++++ ++++ +* ++ ++ Angle PHI GLY 406 -79.00 -59.00 6 3.98 6.32 ++ + +* + Angle PSI ALA 415 -49.00 -29.00 17 6.05 9.43 ++++++*+++ + ++++++ Angle PSI ALA 416 -50.00 -30.00 16 5.33 6.47 +++ ++ ++++ ++* ++++ Angle PHI ALA 417 -74.00 -54.00 15 6.49 9.00 +++ +++++++ + + +*+ Angle PSI LEU 418 -48.00 -28.00 14 5.49 8.23 ++ +++ *++ ++ ++++ Angle PHI GLY 421 -84.00 -58.00 13 5.52 7.20 +++++ ++ + + + * ++ 193 violated distance constraints. 58 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.30 +/- 0.14 A (0.14..0.71 A; 20 structures) Average heavy atom RMSD to mean : 0.72 +/- 0.13 A (0.58..1.06 A; 20 structures)