Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 403.92 417 0.1109 4.14 493 252.1 0.87 11212.7340 48.67 2 404.47 422 0.1128 4.21 472 253.4 0.83 11312.6899 48.89 3 405.61 398 0.1118 4.17 484 253.1 0.94 10912.5614 49.53 4 406.52 416 0.1121 4.18 481 254.5 0.89 10812.6396 49.42 5 407.19 401 0.1120 4.18 485 254.0 0.90 10712.6595 49.27 6 407.80 396 0.1122 4.15 464 254.3 0.94 11612.6888 49.98 7 408.08 415 0.1127 4.19 454 249.2 0.91 11012.8512 48.94 8 408.26 391 0.1129 4.15 486 252.8 0.84 10812.5548 48.34 9 409.67 419 0.1118 4.14 497 263.0 0.89 11012.5393 49.08 10 409.90 411 0.1138 4.22 486 254.3 0.88 10912.5280 49.06 11 410.72 421 0.1141 4.17 471 257.8 0.87 11112.4321 48.85 12 412.20 417 0.1129 4.15 477 255.2 0.88 10312.7074 49.09 13 412.79 410 0.1127 4.16 499 260.1 0.93 11012.6663 48.61 14 413.70 430 0.1122 4.21 482 254.6 0.90 11413.0554 47.74 15 413.96 429 0.1131 4.23 482 255.9 0.83 10812.8964 48.65 16 415.04 418 0.1129 4.13 476 259.1 0.88 11312.9537 49.19 17 416.38 424 0.1137 4.23 500 260.5 0.85 11512.7030 48.87 18 416.57 398 0.1138 4.15 485 263.0 0.89 11512.5953 49.77 19 416.62 416 0.1125 4.21 490 260.4 0.82 11913.0381 51.92 20 417.12 426 0.1142 4.19 489 259.4 0.87 10812.5588 47.54 Ave 410.83 414 0.1128 4.18 483 256.3 0.88 11112.7027 49.07 +/- 4.19 11 0.0008 0.03 11 3.7 0.03 4 0.1692 0.87 Min 403.92 391 0.1109 4.13 454 249.2 0.82 10312.4321 47.54 Max 417.12 430 0.1142 4.23 500 263.0 0.94 11913.0554 51.92 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA ALA 43 - QB LEU 45 4.60 6 0.08 0.22 + +++ * + peak 1875 Upper HA ALA 43 - QB ARG 46 4.47 9 0.13 0.34 + +++ + + + *+ peak 1584 Upper QB ALA 43 - HB2 TRP 72 5.19 19 0.47 0.78 +++++++++++++ ++*+++ peak 2633 Upper HG LEU 45 - H ARG 46 3.74 7 0.14 0.45 ++ + +++* peak 666 Upper HA ARG 46 - QD ARG 46 3.63 6 0.05 0.16 * +++ + + peak 3551 Upper QB ARG 46 - HB3 PHE 47 4.98 9 0.10 0.26 + +++ + + * ++ peak 3236 Upper QD PHE 47 - QQD LEU 65 3.61 18 0.32 0.57 +++++++ +*+++++++ ++ peak 2404 Upper QE PHE 47 - QB LEU 68 4.71 8 0.07 0.22 + + + * ++ + + peak 2524 Upper QE PHE 47 - H CYS 69 4.31 6 0.08 0.40 + +* + + + peak 199 Upper QE PHE 47 - QQG VAL 88 4.12 7 0.07 0.25 + + + + + *+ peak 3164 Upper QE PHE 47 - QG2 VAL 88 5.50 8 0.10 0.35 + +* ++ ++ + peak 3164 Upper HZ PHE 47 - HB3 LEU 87 5.50 18 0.29 0.87 ++++ +++++++++++* ++ peak 3103 Upper HZ PHE 47 - HA VAL 88 3.58 9 0.07 0.22 *++ ++ + + ++ peak 88 Upper HB3 PHE 50 - QB ALA 95 5.50 20 0.29 0.35 +++++++*++++++++++++ peak 2012 Upper QD PHE 50 - HG LEU 65 3.93 20 0.89 1.00 ++++++*+++++++++++++ peak 283 Upper QD PHE 50 - QD1 LEU 65 4.80 20 0.90 0.98 ++++++*+++++++++++++ peak 284 Upper QD PHE 50 - QB ALA 395 3.02 20 4.16 4.23 ++++++++++++++*+++++ peak 4165 Upper QE PHE 50 - HG LEU 65 4.82 20 0.59 0.79 +++++++++++++++*++++ peak 270 Upper QE PHE 50 - QB ALA 395 3.34 20 3.59 3.70 ++++++++++++++*+++++ peak 4164 Upper HA HIS 51 - QB ALA 95 4.14 18 0.13 0.16 +++++++++ + +++*++++ peak 1718 Upper HB2 HIS 51 - QB ALA 95 5.50 19 0.15 0.21 +*++++++++++++++++ + peak 2046 Upper H TYR 52 - HG LEU 96 5.22 19 0.27 0.38 ++++++++*+++++++ +++ peak 793 Upper HA TYR 52 - QB ALA 95 4.70 19 0.16 0.24 +++++++++++++++* +++ peak 4166 Upper QB TYR 52 - QB ALA 395 4.18 20 0.53 0.58 ++++++++++++++++*+++ peak 2059 Upper QB TYR 52 - QQD LEU 396 4.16 20 0.90 0.99 ++++++++++++++++*+++ peak 4179 Upper QD TYR 52 - H THR 56 4.88 20 0.28 0.33 +++++++++++++*++++++ peak 63 Upper QD TYR 52 - HB THR 56 4.12 20 0.35 0.44 +++++++++++++*++++++ peak 44 Upper QD TYR 52 - HB2 PRO 58 3.56 20 0.38 0.45 ++++++*+++++++++++++ peak 245 Upper QD TYR 52 - QQD LEU 96 3.54 19 0.20 0.27 ++*+++++++++++++ +++ peak 252 Upper QD TYR 52 - QD1 ILE 100 4.36 20 0.29 0.36 ++++++++*+++++++++++ peak 249 Upper QD TYR 52 - QB ALA 395 3.68 20 0.96 1.00 ++++++++++++*+++++++ peak 4175 Upper QD TYR 52 - QQD LEU 396 3.68 20 0.71 0.79 *+++++++++++++++++++ peak 4183 Upper QD TYR 52 - QD1 ILE 400 4.11 20 0.79 0.90 +*++++++++++++++++++ peak 4115 Upper QE TYR 52 - QG GLU 53 5.50 20 0.13 0.15 +++*++++++++++++++++ peak 2087 Upper QE TYR 52 - HA GLU 54 3.22 16 0.13 0.19 +++ +++++++++ ++*+ peak 49 Upper QE TYR 52 - QG2 THR 56 5.50 20 0.38 0.46 +++++++++++++*++++++ peak 1769 Upper QE TYR 52 - QQD LEU 96 4.59 8 0.08 0.22 ++ + ++ + + * peak 240 Upper QE TYR 52 - HB3 PRO 97 3.81 7 0.08 0.15 + + *++ + + peak 232 Upper QE TYR 52 - QD1 ILE 100 4.28 18 0.18 0.27 ++++ ++ +*++++++++++ peak 3485 Upper QE TYR 52 - HB2 PRO 358 5.50 20 0.34 0.42 +++++++++++++*++++++ peak 2173 Upper QE TYR 52 - QB ALA 395 4.34 20 1.10 1.15 +++++++++++++*++++++ peak 4176 Upper QE TYR 52 - QQG VAL 419 3.60 10 0.13 0.30 + + +*++++ + + peak 4189 Upper HA THR 56 - QG GLU 60 3.79 10 0.16 0.34 ++ + + +++*+ + peak 2226 Upper HB THR 56 - QG GLU 60 5.03 12 0.30 0.60 +++ ++ + ++++* + peak 2105 Upper QG2 THR 56 - HD2 PRO 58 5.50 20 0.18 0.24 ++++++++++++*+++++++ peak 1764 Upper QG2 THR 56 - H LEU 62 5.50 19 0.21 0.30 +++++++++++++++* +++ peak 1774 Upper QG2 THR 56 - HE21 GLN 64 5.35 18 0.47 0.62 +++++ *++++++++ ++++ peak 919 Upper H GLY 57 - H GLU 60 5.50 20 0.13 0.19 +++++*++++++++++++++ peak 398 Upper H GLY 57 - QG GLU 60 5.34 20 0.30 0.40 ++++++++++++++++*+++ peak 824 Upper HA3 GLY 57 - H GLN 59 4.35 20 0.17 0.23 ++++++++++++++++++*+ peak 831 Upper HA PRO 58 - H LEU 62 5.42 20 0.38 0.45 ++++++++++++++*+++++ peak 875 Upper HB2 PRO 58 - QQD LEU 62 5.03 20 0.28 0.49 +++++++++++++*++++++ peak 4303 Upper HB2 PRO 58 - QE TYR 352 5.50 20 0.33 0.40 +*++++++++++++++++++ peak 2173 Upper HB2 PRO 58 - HA ALA 416 3.72 20 0.84 0.93 ++++++++*+++++++++++ peak 4252 Upper HB2 PRO 58 - QB ALA 416 3.94 20 0.24 0.29 +++++*++++++++++++++ peak 4257 Upper HB3 PRO 58 - HA ALA 416 4.33 20 0.92 1.02 ++++++++*+++++++++++ peak 4259 Upper HB3 PRO 58 - QB ALA 416 4.47 20 0.30 0.38 +*++++++++++++++++++ peak 4262 Upper HG2 PRO 58 - QD1 ILE 400 3.84 8 0.11 0.28 * + ++ + ++ + peak 4117 Upper H GLN 59 - H LEU 62 5.50 20 0.25 0.28 +++++++++++++++++*++ peak 161 Upper H GLN 59 - QQD LEU 62 5.44 20 0.32 0.50 +++++++++++*++++++++ peak 842 Upper H GLN 59 - QQD LEU 362 4.13 20 1.53 1.60 +++*++++++++++++++++ peak 4218 Upper H GLN 59 - QD1 LEU 362 5.50 20 0.53 0.61 +++*++++++++++++++++ peak 842 Upper H GLN 59 - QD2 LEU 362 5.50 20 1.35 1.44 +++*++++++++++++++++ peak 4218 Upper HA GLN 59 - H LEU 62 3.62 18 0.14 0.19 + +++++++++*++ +++++ peak 877 Upper HA GLN 59 - HB2 LEU 62 4.30 7 0.09 0.15 ++ + +++ * peak 1874 Upper HA GLN 59 - QQD LEU 362 3.25 20 0.69 0.74 +++*++++++++++++++++ peak 4214 Upper HA GLN 59 - QD1 LEU 362 4.12 18 0.14 0.20 +++++ *++++++++ ++++ peak 2196 Upper HA GLN 59 - QD2 LEU 362 4.12 20 0.53 0.61 +++*++++++++++++++++ peak 4214 Upper HA GLN 59 - HB2 PRO 412 3.41 9 0.09 0.11 *+ + + ++++ + peak 1519 Upper HG2 GLN 59 - QD1 LEU 362 5.50 20 0.69 0.86 +++++++++++*++++++++ peak 2208 Upper HG2 GLN 59 - QD2 LEU 362 5.50 20 0.58 0.74 ++++++++++++*+++++++ peak 2267 Upper HG3 GLN 59 - QD2 LEU 362 4.84 6 0.06 0.22 + + + * + + peak 4211 Upper H GLU 60 - QG GLU 60 3.44 12 0.35 0.63 +++ *+ ++++ +++ peak 860 Upper HG3 GLU 60 - HE21 GLN 64 5.23 10 0.18 0.42 ++ + + ++*++ + peak 2238 Upper H ALA 61 - QB ALA 95 4.37 6 0.08 0.14 + + * + + + peak 1725 Upper HA ALA 61 - QG GLN 64 5.34 20 0.39 0.89 +++++*++++++++++++++ peak 2329 Upper QB ALA 61 - QD2 LEU 62 3.78 20 0.72 0.78 +++++++++++*++++++++ peak 4209 Upper QB ALA 61 - QD PHE 392 3.25 20 1.00 1.25 ++++++++++++++++*+++ peak 4145 Upper H LEU 62 - HG LEU 65 5.50 13 0.13 0.21 ++++ + ++++ ++*+ peak 2392 Upper H LEU 62 - QD1 LEU 65 5.50 20 1.02 1.08 ++++++++++++++++*+++ peak 2399 Upper HA LEU 62 - QD PHE 92 5.50 20 0.29 0.37 +++++++++++++*++++++ peak 1852 Upper HB2 LEU 62 - HG LEU 362 4.35 20 0.24 0.31 ++++++++++++++*+++++ peak 2281 Upper HB3 LEU 62 - HG LEU 362 3.98 20 0.98 1.15 +++++++++++++*++++++ peak 2283 Upper HB3 LEU 62 - QD1 LEU 362 3.79 7 0.06 0.16 ++++ * + + peak 2271 Upper HG LEU 62 - HB2 LEU 362 4.35 20 0.23 0.29 ++++++++++++++++*+++ peak 2281 Upper HG LEU 62 - HB3 LEU 362 3.98 20 0.95 1.13 +++++++++*++++++++++ peak 2283 Upper QQD LEU 62 - H ARG 66 5.44 8 0.09 0.31 + + +++ + + * peak 948 Upper QQD LEU 62 - H LEU 89 5.44 18 0.24 0.48 ++++ ++ +++++*++++++ peak 1133 Upper QQD LEU 62 - H GLY 94 4.22 10 0.09 0.21 ++++ + * + + ++ peak 4217 Upper QD1 LEU 62 - HA PRO 112 5.14 20 0.50 0.64 ++++++*+++++++++++++ peak 3745 Upper QQD LEU 62 - HA PRO 112 4.53 20 0.29 0.38 +++++++*++++++++++++ peak 3745 Upper QD1 LEU 62 - HB2 PRO 112 4.52 20 0.72 0.80 +++++++++++++++++++* peak 3792 Upper QQD LEU 62 - HB2 PRO 112 3.40 20 0.64 0.69 ++*+++++++++++++++++ peak 4210 Upper QD1 LEU 62 - HB3 PRO 112 4.19 15 0.18 0.32 ++++ *++++++ ++ ++ peak 3791 Upper QD1 LEU 62 - HG3 PRO 112 5.14 20 0.49 0.62 +++++++++++++++++++* peak 3748 Upper QQD LEU 62 - H GLN 359 4.13 20 1.53 1.61 ++++++++++++++*+++++ peak 4218 Upper QD1 LEU 62 - H GLN 359 5.50 20 0.53 0.61 ++++*+++++++++++++++ peak 842 Upper QQD LEU 62 - HA GLN 359 3.25 20 0.69 0.75 ++++++++++++++*+++++ peak 4214 Upper QD1 LEU 62 - HA GLN 359 4.12 15 0.14 0.19 ++ *++++ ++++++ + + peak 2196 Upper QD1 LEU 62 - HG2 GLN 359 5.50 20 0.66 0.80 +*++++++++++++++++++ peak 2208 Upper QD1 LEU 62 - HB3 LEU 362 3.79 11 0.08 0.19 ++ ++ +* +++ + + peak 2271 Upper QQD LEU 62 - HZ PHE 392 3.69 6 0.04 0.18 + + +*+ + peak 4306 Upper QQD LEU 62 - HB2 PRO 412 3.62 20 1.03 1.12 +++++++++++*++++++++ peak 4264 Upper QD1 LEU 62 - HB2 PRO 412 4.17 20 0.77 0.94 +++++++++++*++++++++ peak 4265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 20 0.41 0.66 +++++++++++*++++++++ peak 4267 Upper QQD LEU 62 - HB3 PRO 412 3.76 20 0.67 0.76 +++++++++++*++++++++ peak 4266 Upper QQD LEU 62 - HG3 PRO 412 3.98 20 1.12 1.23 ++++++++++++*+++++++ peak 4268 Upper QD2 LEU 62 - HA PRO 112 5.14 11 0.10 0.23 + + ++ *+ + ++ ++ peak 3746 Upper QD2 LEU 62 - H GLN 359 5.50 20 1.35 1.46 ++++++++++++++*+++++ peak 4218 Upper QD2 LEU 62 - HA GLN 359 4.12 20 0.53 0.64 ++++++++++++++*+++++ peak 4214 Upper QD2 LEU 62 - HG2 GLN 359 5.50 20 0.60 0.76 ++++*+++++++++++++++ peak 2267 Upper QD2 LEU 62 - HB2 PRO 412 4.17 20 1.52 1.65 ++++++++++++*+++++++ peak 4264 Upper QD2 LEU 62 - HB3 PRO 412 4.32 20 1.06 1.29 ++++++++++++*+++++++ peak 4266 Upper H ALA 63 - QD1 LEU 65 5.50 20 0.49 0.60 +++++++++++++*++++++ peak 906 Upper HA ALA 63 - HD2 ARG 66 5.50 13 0.19 0.38 +++ * + ++ +++++ + peak 2422 Upper HA ALA 63 - QD ARG 66 4.69 6 0.07 0.29 ++ * + + + peak 2422 Upper HA GLN 64 - H GLU 67 3.70 6 0.07 0.35 + + +++ * peak 214 Upper HA LEU 65 - QQD LEU 68 3.75 7 0.07 0.28 +*+ + +++ peak 2485 Upper HB2 LEU 65 - H GLU 67 5.50 20 0.47 1.06 ++++++++++++++++++*+ peak 954 Upper QQD LEU 65 - QG ARG 66 3.56 20 0.34 0.54 ++++++++++++++*+++++ peak 4295 Upper QQD LEU 65 - H PHE 92 3.54 19 0.18 0.28 +++++++++*+++++ ++++ peak 1170 Upper QD1 LEU 65 - H PHE 92 4.49 20 0.91 1.07 +++++++++*++++++++++ peak 1170 Upper QQD LEU 65 - HA PHE 92 3.37 20 0.43 0.78 ++++++++++++++++*+++ peak 2394 Upper QQD LEU 65 - HG2 GLN 391 3.83 20 0.74 0.97 ++++++++++++++++++*+ peak 4294 Upper QQD LEU 65 - HG3 GLN 391 4.13 20 0.45 0.64 ++++++++++++++++++*+ peak 4284 Upper QQD LEU 65 - QD PHE 392 3.29 20 0.50 0.63 ++++++++++++++*+++++ peak 4289 Upper QD2 LEU 65 - QG ARG 66 4.13 20 0.75 1.00 +++++++++++++++*++++ peak 4295 Upper H ARG 66 - QD ARG 66 3.85 16 0.18 0.28 +++++++ ++ ++*+++ + peak 940 Upper HA ARG 66 - H LEU 68 5.17 17 0.16 0.30 ++*++++++ +++++++ + peak 975 Upper HA ARG 66 - H CYS 69 4.40 16 0.19 0.44 ++++++ + ++++*+++ + peak 4158 Upper HA ARG 66 - QB LEU 384 4.22 19 0.55 1.13 +*++++++++++++++ +++ peak 4248 Upper HA ARG 66 - HB VAL 388 4.78 8 0.18 0.54 + + +++ + * + peak 586 Upper HA ARG 66 - QG1 VAL 388 4.08 12 0.25 0.53 ++ +++ +* +++ + + peak 3845 Upper QB ARG 66 - HA VAL 388 4.67 7 0.10 0.68 + + +++ + * peak 3139 Upper QG ARG 66 - QG1 VAL 388 4.07 16 0.23 0.45 +++* ++++ ++++++ ++ peak 4198 Upper QG ARG 66 - H LEU 389 4.29 10 0.14 0.57 ++++ + ++ + + * peak 1137 Upper H GLU 67 - QD ARG 70 4.95 20 1.07 1.82 ++++++++++++++*+++++ peak 2602 Upper H GLU 67 - QQD LEU 389 5.44 11 0.17 0.54 ++++++ + ++ +* peak 957 Upper HG2 GLU 67 - HE21 GLN 71 5.07 6 0.08 0.13 +++ * + + peak 2473 Upper HA CYS 69 - HB3 TRP 72 5.29 19 0.60 1.35 ++++++++++*++ ++++++ peak 2638 Upper HA CYS 69 - HD1 TRP 72 5.32 17 0.26 0.56 +*++++ +++++ + +++++ peak 2537 Upper HA CYS 69 - HE3 TRP 72 4.43 13 0.25 0.92 ++++++ + +++ + *+ peak 123 Upper HA CYS 69 - HB3 LEU 73 5.50 19 0.42 0.67 +++++++++ ++++++*+++ peak 2556 Upper HA CYS 69 - QQD LEU 87 5.44 8 0.10 0.39 + ++ + ++ + * peak 2556 Upper H ARG 70 - HE3 TRP 72 4.59 17 0.32 0.57 ++++++++ +++* ++++ + peak 136 Upper H ARG 70 - HB3 LEU 73 5.50 16 0.18 0.31 ++++++*+ +++ ++ +++ peak 992 Upper H ARG 70 - QQG VAL 88 5.44 20 0.67 1.04 ++++++++*+++++++++++ peak 992 Upper H ARG 70 - QB LEU 384 5.31 17 0.42 0.74 +++++++*++++++ +++ peak 4249 Upper QG ARG 70 - HA LEU 384 3.52 17 0.54 0.98 ++++++*+++++++ ++ + peak 316 Upper QG ARG 70 - QQD LEU 384 2.73 7 0.10 0.44 +++ + ++ * peak 2994 Upper QD ARG 70 - H GLN 71 5.18 9 0.15 0.50 ++ +++* +++ peak 273 Upper QD ARG 70 - HA GLN 71 5.34 17 0.34 0.87 +++++++ +++++++ ++* peak 2590 Upper QD ARG 70 - HG LEU 373 5.28 10 0.27 1.20 +++ +* + ++ + + peak 1914 Upper HD2 ARG 70 - H ARG 374 5.26 11 0.30 1.11 ++ + + ++ + ++ +* peak 2606 Upper QD ARG 70 - H ARG 374 4.57 19 0.48 0.73 +*+++++++++ ++++++++ peak 2605 Upper QD ARG 70 - HD2 PRO 375 5.34 10 0.19 0.52 ++++* ++ ++ + peak 2590 Upper HD3 ARG 70 - H ARG 374 5.26 18 0.99 1.69 +++*+++++++ +++ ++++ peak 2605 Upper H GLN 71 - HG2 GLN 71 3.60 13 0.18 0.46 + +++++ +++++* + peak 271 Upper H GLN 71 - QQD LEU 384 4.13 6 0.07 0.28 + ++ + + * peak 4322 Upper HA GLN 71 - QQD LEU 384 4.24 11 0.21 0.81 + ++ +*++ + + + + peak 3006 Upper H TRP 72 - H ARG 74 4.99 18 0.62 1.41 ++++++ ++++++ +++*++ peak 291 Upper H TRP 72 - QQG VAL 377 4.06 20 2.44 2.82 +++++++++++++++++*++ peak 4204 Upper HB2 TRP 72 - HB3 LEU 73 5.50 8 0.12 0.52 + + + + + *++ peak 2634 Upper HB2 TRP 72 - H ARG 74 5.50 10 0.25 1.85 ++ * + + ++ +++ peak 2642 Upper HB3 TRP 72 - HE3 TRP 72 3.77 13 0.15 0.39 +++ ++++ +*++ ++ peak 122 Upper HB3 TRP 72 - HB3 LEU 73 5.50 20 0.66 0.97 ++++++*+++++++++++++ peak 2636 Upper HB3 TRP 72 - HG LEU 73 5.50 13 0.12 0.38 ++++++ + + ++ * ++ peak 2636 Upper HE3 TRP 72 - QQD LEU 387 4.17 20 0.92 1.34 ++++++++++++++++++*+ peak 4228 Upper HE1 TRP 72 - HB3 LEU 86 5.50 12 0.19 0.66 + +++ +++++*+ + peak 255 Upper HZ2 TRP 72 - HB3 LEU 73 5.02 16 0.30 0.63 ++++++++ +++*+++ + peak 195 Upper HZ2 TRP 72 - QB LEU 86 3.80 14 0.26 0.53 + + *++++++++++ + peak 191 Upper HZ2 TRP 72 - HG LEU 86 4.24 10 0.28 0.79 + + + + + ++++* peak 3564 Upper HZ2 TRP 72 - QQD LEU 387 3.92 20 2.12 2.70 ++++++++++++++++++*+ peak 4227 Upper HH2 TRP 72 - HB3 LEU 73 3.62 17 0.24 0.43 ++++++++ +++* +++ ++ peak 204 Upper H LEU 73 - QE MET 83 4.38 10 0.13 0.52 +++++ + + +* + peak 4128 Upper HA LEU 73 - H MET 83 5.50 6 0.14 0.66 + + + ++ * peak 1066 Upper HA LEU 73 - QD1 LEU 86 3.95 7 0.13 0.74 + + ++* + + peak 2650 Upper HB2 LEU 73 - H MET 83 5.50 20 0.89 1.58 ++++++++*+++++++++++ peak 1076 Upper HB3 LEU 73 - QE MET 83 4.70 19 0.32 0.71 ++++++++ +++++++*+++ peak 1897 Upper HB3 LEU 73 - HD3 PRO 375 5.50 7 0.09 0.46 + ++ + + + * peak 2681 Upper HG LEU 73 - H ARG 74 5.08 14 0.17 0.36 +++*++ +++ ++ ++ + peak 1003 Upper HG LEU 73 - QD ARG 370 5.28 10 0.22 0.82 + + +++ +++* + peak 1914 Upper HG LEU 73 - QQD LEU 387 3.10 20 0.77 1.85 ++++++++++++++++*+++ peak 4229 Upper QQD LEU 73 - H LEU 84 5.44 17 0.31 0.65 +++++ ++*++++ +++++ peak 1082 Upper QQD LEU 73 - QQD LEU 84 4.28 17 0.30 0.69 +++++ ++++*++++ +++ peak 3067 Upper QQD LEU 73 - H LEU 87 4.96 14 0.27 0.83 + +++ * ++++ ++ +++ peak 1102 Upper QQD LEU 73 - QQG VAL 377 3.00 20 0.93 1.29 +++++++++++++++++++* peak 4196 Upper QQD LEU 73 - QQD LEU 384 2.67 20 1.02 1.40 ++++++*+++++++++++++ peak 4312 Upper QQD LEU 73 - QQD LEU 386 3.89 20 0.71 1.05 ++++++++++++++++++*+ peak 4187 Upper QQD LEU 73 - HG LEU 387 3.39 9 0.23 0.80 + +* + +++++ peak 4278 Upper QD1 LEU 73 - QD2 LEU 387 3.74 14 0.39 1.24 ++ + ++ +++ ++ +*++ peak 4280 Upper QD2 LEU 73 - H ARG 74 5.26 15 0.18 0.32 ++++++ +++ *+ ++ ++ peak 1790 Upper H ARG 74 - HD2 ARG 370 5.26 10 0.25 1.10 +++ + ++*+ ++ peak 2606 Upper H ARG 74 - QD ARG 370 4.57 18 0.45 0.79 ++++++++++ ++++++ *+ peak 2605 Upper H ARG 74 - HD3 ARG 370 5.26 17 0.85 1.84 ++++++ + ++++++++ +* peak 2605 Upper H ARG 74 - QD2 LEU 373 5.50 16 0.47 0.83 +*++++ +++ +++++ ++ peak 1001 Upper H ARG 74 - HD2 PRO 375 3.74 17 0.48 0.68 ++++++ ++++*+ ++ +++ peak 313 Upper H ARG 74 - HD3 PRO 375 5.02 6 0.07 0.42 + + *+ ++ peak 2704 Upper H ARG 74 - H GLU 376 5.50 20 0.95 1.51 ++++++++++*+++++++++ peak 292 Upper QB ARG 74 - H GLU 376 4.50 20 0.64 1.18 +++++++++++++++++*++ peak 1012 Upper HA PRO 75 - QE MET 83 4.08 7 0.11 0.62 + + ++ + + * peak 1643 Upper HD2 PRO 75 - QD ARG 370 5.34 15 0.34 0.69 ++ + +++++++ + *+++ peak 2590 Upper HD2 PRO 75 - H ARG 374 3.74 20 0.53 0.79 +++++++++++++++++++* peak 313 Upper HD3 PRO 75 - QQD LEU 84 3.94 19 0.99 1.53 ++++++++ ++++++++++* peak 2680 Upper HD3 PRO 75 - H ARG 374 5.02 11 0.13 0.36 +++ + ++* + +++ peak 2704 Upper H GLU 76 - QQD LEU 84 5.44 16 0.36 0.75 ++++++ + *++ ++++++ peak 1008 Upper H GLU 76 - H ARG 374 5.50 20 0.86 1.32 +++++++++++++++++++* peak 305 Upper H GLU 76 - QB ARG 374 4.50 20 0.54 0.92 ++++++++++++*+++++++ peak 1012 Upper HA VAL 77 - QE MET 83 5.50 20 0.74 0.96 ++++++*+++++++++++++ peak 1644 Upper QG1 VAL 77 - H SER 79 5.50 18 0.40 0.57 ++ +++++ +++++*+++++ peak 1036 Upper QQG VAL 77 - H TRP 372 4.06 20 2.42 2.60 +++++++++*++++++++++ peak 4204 Upper QQG VAL 77 - QD1 LEU 373 3.01 20 1.11 1.28 ++++++++++++++++*+++ peak 4196 Upper HB2 ARG 78 - HG3 MET 83 5.50 13 0.30 0.63 ++ ++ ++*+ + + +++ peak 2953 Upper H SER 79 - H MET 83 5.50 9 0.13 0.45 + + + + + ++*+ peak 349 Upper H GLN 82 - QG MET 83 5.34 17 0.20 0.41 ++*++ +++++++ +++++ peak 2982 Upper HA MET 83 - HG LEU 86 3.48 11 0.48 1.16 + * ++ + ++++++ peak 2976 Upper H LEU 84 - H LEU 86 4.61 9 0.11 0.43 + + + ++*+ + + peak 361 Upper H LEU 84 - QQD LEU 87 4.65 12 0.21 0.53 + ++ + +++ ++ +*+ peak 3097 Upper HA LEU 84 - H LEU 86 4.91 9 0.09 0.30 + +++ +* + + + peak 383 Upper HA LEU 84 - HG LEU 87 4.28 7 0.15 0.69 + ++ * ++ + peak 317 Upper HA LEU 84 - QQD LEU 87 3.22 6 0.05 0.32 + + + + *+ peak 3123 Upper HA LEU 84 - QD2 LEU 87 4.07 12 0.25 0.74 +++++ ++*+ ++ + peak 3124 Upper HA LEU 84 - QG ARG 370 3.52 13 0.26 0.89 ++++*++ +++ + + + peak 316 Upper QB LEU 84 - QQD LEU 87 3.87 10 0.22 0.70 + ++ +++ + *++ peak 3117 Upper QB LEU 84 - H VAL 88 5.50 8 0.18 0.72 + + +*+ + ++ peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 19 0.64 1.25 +++++++++*+++++ ++++ peak 4248 Upper QB LEU 84 - H ARG 370 5.31 16 0.30 0.92 ++*+++ + ++++ +++ ++ peak 4249 Upper QQD LEU 84 - QG ARG 370 2.73 8 0.10 0.43 + ++ *+ + + + peak 2994 Upper QQD LEU 84 - QD1 LEU 373 2.73 20 1.14 1.62 ++++++++++*+++++++++ peak 4312 Upper QQD LEU 84 - QD2 LEU 373 3.81 20 0.52 0.93 ++++++++++*+++++++++ peak 3067 Upper H LEU 86 - HB3 LEU 87 5.50 11 0.16 0.41 + ++ +++ ++ + * + peak 3103 Upper QQD LEU 86 - QQD LEU 87 2.39 17 0.46 0.93 ++++++++++++ *+ +++ peak 3049 Upper QQD LEU 86 - QD2 LEU 373 3.91 20 1.03 1.59 ++++++++*+++++++++++ peak 4187 Upper HG LEU 87 - QD1 LEU 373 3.40 20 0.93 1.53 +++++++++++*++++++++ peak 4278 Upper QQD LEU 87 - HE3 TRP 372 4.17 20 0.89 1.07 ++++++*+++++++++++++ peak 4228 Upper QQD LEU 87 - HZ2 TRP 372 3.92 20 2.12 2.39 ++++++++++++++++*+++ peak 4227 Upper QQD LEU 87 - HG LEU 373 3.10 20 0.52 0.79 +++++++++++++*++++++ peak 4229 Upper QD1 LEU 87 - QD1 LEU 373 3.53 7 0.09 0.38 + + + *+ ++ peak 4270 Upper QQD LEU 87 - QD1 LEU 373 2.86 14 0.31 0.72 + ++ + +++ *++++++ peak 4270 Upper QD2 LEU 87 - QD1 LEU 373 3.53 14 0.34 0.92 +*++++ +++ + ++ ++ peak 4280 Upper HB VAL 88 - H LEU 89 3.24 8 0.33 0.96 + ++ *+ ++ + peak 1130 Upper HB VAL 88 - HA ARG 366 4.78 8 0.15 0.53 + *+ ++ ++ + peak 586 Upper QQG VAL 88 - H LEU 89 3.35 12 0.09 0.21 +++ + ++++* + ++ peak 1139 Upper QQG VAL 88 - H LEU 93 4.95 8 0.14 0.44 + ++ ++ +* + peak 766 Upper QG1 VAL 88 - HA ARG 366 4.08 12 0.22 0.59 +++ + *++++ + ++ peak 3845 Upper QG1 VAL 88 - QG ARG 366 4.07 17 0.27 0.55 *+ ++++++++++++++ + peak 4198 Upper QQG VAL 88 - QD ARG 366 4.37 7 0.09 0.42 ++ ++++ * peak 3150 Upper H LEU 89 - QG ARG 366 4.29 9 0.14 0.49 + + +* + +++ + peak 1137 Upper HA LEU 89 - HB3 PHE 92 4.65 10 0.13 0.46 + + +*+ ++ + ++ peak 1386 Upper QQD LEU 89 - H SER 111 4.13 14 0.32 0.64 + + ++*+++ ++ ++++ peak 3194 Upper QQD LEU 89 - HG3 PRO 112 3.95 12 0.14 0.35 + +++ +* ++ ++++ peak 3776 Upper QQD LEU 89 - H GLU 367 5.44 16 0.23 0.54 +++++ +++ ++++* + ++ peak 957 Upper QD2 LEU 89 - H SER 111 5.45 7 0.09 0.41 + + * ++++ peak 3199 Upper QB GLU 90 - H PHE 92 5.50 7 0.07 0.30 + + ++ + * + peak 1164 Upper H GLN 91 - HB3 PHE 92 4.72 11 0.12 0.36 + + + +*+ ++ + ++ peak 1158 Upper HG2 GLN 91 - QQD LEU 365 3.83 20 0.71 0.85 +++++++++++++++*++++ peak 4294 Upper HG3 GLN 91 - QQD LEU 365 4.13 20 0.42 0.58 +++++++++++++++*++++ peak 4284 Upper HE22 GLN 91 - HA ALA 95 5.47 20 0.31 0.55 +++++++++++++*++++++ peak 416 Upper HE22 GLN 91 - QB ALA 95 4.58 7 0.09 0.29 + + + + * + + peak 1064 Upper QD PHE 92 - H ALA 95 3.21 6 0.08 0.18 + * ++ ++ peak 445 Upper QD PHE 92 - QB ALA 361 3.25 20 0.99 1.22 +++++++++++++++++*++ peak 4145 Upper QD PHE 92 - QQD LEU 365 3.29 20 0.52 0.75 ++++++++++++++++*+++ peak 4289 Upper QE PHE 92 - QB ALA 115 4.18 20 0.24 0.35 ++++++++++++++++*+++ peak 1688 Upper QE PHE 92 - H ALA 116 5.22 20 0.26 0.30 +++++++*++++++++++++ peak 964 Upper QE PHE 92 - QB ALA 116 4.34 19 0.15 0.19 ++++*++++ ++++++++++ peak 162 Upper QE PHE 92 - QQG VAL 119 4.09 16 0.17 0.32 ++++++ ++ +++ +* +++ peak 163 Upper QE PHE 92 - QG1 VAL 119 5.50 6 0.06 0.29 * ++ + + + peak 163 Upper HZ PHE 92 - QD1 LEU 96 4.96 20 0.33 0.50 *+++++++++++++++++++ peak 182 Upper HZ PHE 92 - QB ALA 116 4.29 20 0.26 0.34 ++++++++++++++++*+++ peak 176 Upper HA LEU 93 - QQD LEU 96 4.19 11 0.12 0.28 *++ +++ ++ + + + peak 3332 Upper QQD LEU 93 - HA GLN 105 3.97 7 0.08 0.20 + * + + + + + peak 3278 Upper QQD LEU 93 - QG GLN 105 4.25 6 0.08 0.21 *++ ++ + peak 3273 Upper QQD LEU 93 - H ALA 115 5.44 13 0.17 0.33 *+ +++ + +++++++ peak 3293 Upper HA2 GLY 94 - H LEU 96 3.92 19 0.15 0.21 ++++++++++++++*+ +++ peak 461 Upper H ALA 95 - QD1 LEU 96 5.50 12 0.12 0.20 ++*+++ + + + + + + peak 1113 Upper QB ALA 95 - QD PHE 350 3.02 20 4.16 4.23 ++++++++++++++++*+++ peak 4165 Upper QB ALA 95 - QE PHE 350 3.34 20 3.59 3.65 ++++++++++++++++*+++ peak 4164 Upper QB ALA 95 - QB TYR 352 4.18 20 0.53 0.57 ++++++++++++++++*+++ peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 20 0.95 1.03 +*++++++++++++++++++ peak 4175 Upper QB ALA 95 - QE TYR 352 4.34 20 1.08 1.17 +*++++++++++++++++++ peak 4176 Upper H LEU 96 - QD1 LEU 96 4.72 9 0.08 0.12 +++ + + + * + + peak 1188 Upper H LEU 96 - HB2 GLN 101 4.41 14 0.12 0.21 ++++++ ++ + + +* ++ peak 1184 Upper HG LEU 96 - HG13 ILE 100 5.11 9 0.10 0.24 + ++ * + ++ ++ peak 3328 Upper HG LEU 96 - QQG VAL 119 3.37 20 0.35 0.58 ++++++++++*+++++++++ peak 3952 Upper QQD LEU 96 - QB TYR 352 4.16 20 0.90 0.96 ++++*+++++++++++++++ peak 4179 Upper QQD LEU 96 - QD TYR 352 3.68 20 0.69 0.77 ++++++++++++++++++*+ peak 4183 Upper HA PRO 98 - HA GLN 101 5.50 7 0.10 0.18 ++ ++ * ++ peak 3433 Upper QG2 ILE 100 - H LEU 122 4.99 6 0.07 0.18 * + + + + + peak 1675 Upper HG13 ILE 100 - HA VAL 119 5.38 20 0.21 0.29 +*++++++++++++++++++ peak 3945 Upper QD1 ILE 100 - QD TYR 352 4.11 20 0.81 0.93 ++++++++++*+++++++++ peak 4115 Upper QD1 ILE 100 - HG2 PRO 358 3.84 9 0.13 0.28 + + ++ + + + * + peak 4117 Upper QB ALA 102 - QE2 GLN 105 5.34 12 0.10 0.19 + + +++++++++* peak 1223 Upper HA PRO 109 - QB GLU 114 4.51 20 0.22 0.37 *+++++++++++++++++++ peak 3856 Upper H SER 111 - H GLU 114 4.90 9 0.08 0.18 ++++ + ++* + peak 563 Upper HB2 PRO 112 - QD1 LEU 362 4.17 20 0.75 0.89 ++++++++++++*+++++++ peak 4265 Upper HB2 PRO 112 - QQD LEU 362 3.62 20 1.03 1.11 ++++++++++++*+++++++ peak 4264 Upper HB2 PRO 112 - QD2 LEU 362 4.17 20 1.56 1.74 +++++++++++*++++++++ peak 4264 Upper HB3 PRO 112 - QD1 LEU 362 4.32 20 0.37 0.58 ++++++++++++++++++*+ peak 4267 Upper HB3 PRO 112 - QQD LEU 362 3.76 20 0.67 0.78 ++++++++++++++++++*+ peak 4266 Upper HB3 PRO 112 - QD2 LEU 362 4.32 20 1.14 1.40 +++++++++++*++++++++ peak 4266 Upper HG3 PRO 112 - QQD LEU 362 3.98 20 1.11 1.20 +++++++++++++++*++++ peak 4268 Upper QG GLU 113 - H GLU 114 4.08 12 0.10 0.20 +++ +++ + ++++ * peak 3817 Upper HA ALA 116 - HB VAL 119 3.56 11 0.32 0.96 ++ + * +++ + + + + peak 3960 Upper HA ALA 116 - QG1 VAL 119 4.00 7 0.05 0.14 + + + *+ + + peak 3959 Upper HA ALA 116 - HB2 PRO 358 3.72 20 0.84 0.95 +*++++++++++++++++++ peak 4252 Upper HA ALA 116 - HB3 PRO 358 4.33 20 0.92 1.04 ++++++++++*+++++++++ peak 4259 Upper QB ALA 116 - HB2 PRO 358 3.94 20 0.24 0.33 +*++++++++++++++++++ peak 4257 Upper QB ALA 116 - HB3 PRO 358 4.47 20 0.30 0.42 ++++++++++++*+++++++ peak 4262 Upper HA LEU 118 - HG LEU 122 4.29 20 0.32 0.39 ++*+++++++++++++++++ peak 528 Upper HB VAL 119 - HD3 PRO 358 4.30 8 0.21 0.54 + + + + + * + + peak 995 Upper QQG VAL 119 - QE TYR 352 3.60 11 0.15 0.30 +++ ++* ++ + + + peak 4189 Upper HA LEU 122 - QQD LEU 122 2.83 20 0.53 0.58 *+++++++++++++++++++ peak 934 Upper QB LEU 122 - H ARG 123 3.13 20 0.32 0.44 ++++++++++*+++++++++ peak 1301 Upper HA ALA 343 - QB LEU 345 4.60 9 0.11 0.33 + * + +++ ++ + peak 1875 Upper HA ALA 343 - QB ARG 346 4.47 7 0.10 0.31 + + ++ +* + peak 1584 Upper QB ALA 343 - HB2 TRP 372 5.19 19 0.47 0.76 ++++++++++++*+ +++++ peak 2633 Upper H ARG 344 - HB2 PHE 347 5.50 7 0.08 0.19 + *+ ++ + + peak 712 Upper QB ARG 344 - HG LEU 345 5.34 11 0.34 0.81 + + ++ ++* + + ++ peak 1825 Upper HG LEU 345 - H ARG 346 3.74 6 0.08 0.42 *+ + + ++ peak 666 Upper QB ARG 346 - HB3 PHE 347 4.98 7 0.07 0.22 + + ++ ++ * peak 3236 Upper QD PHE 347 - QQD LEU 365 3.61 20 0.35 0.50 +++++++++++++*++++++ peak 2404 Upper QE PHE 347 - QB LEU 368 4.71 6 0.07 0.17 + *+ + + + peak 2524 Upper QE PHE 347 - QQG VAL 388 4.12 9 0.09 0.26 ++ ++ * + +++ peak 3164 Upper QE PHE 347 - QG2 VAL 388 5.50 8 0.12 0.39 + + *++ + + + peak 3164 Upper HZ PHE 347 - HB3 LEU 387 5.50 17 0.21 0.65 +++++++ +++++*+++ + peak 3103 Upper HZ PHE 347 - QQD LEU 387 5.44 9 0.11 0.31 ++* ++ + ++ + peak 292 Upper HZ PHE 347 - HA VAL 388 3.58 15 0.16 0.33 + + ++++ +++ + +++*+ peak 88 Upper HB3 PHE 350 - QB ALA 395 5.50 20 0.29 0.36 ++++++++++++*+++++++ peak 2012 Upper QD PHE 350 - HG LEU 365 3.93 20 0.90 1.00 +++++++++++++*++++++ peak 283 Upper QD PHE 350 - QD1 LEU 365 4.80 20 0.95 1.03 +++++++++++++*++++++ peak 284 Upper QE PHE 350 - HG LEU 365 4.82 20 0.59 0.72 +++++++++++++++++++* peak 270 Upper HA HIS 351 - QB ALA 395 4.14 17 0.14 0.19 *+++ +++++ ++++++++ peak 1718 Upper HB2 HIS 351 - QB ALA 395 5.50 18 0.14 0.21 ++++ ++++++*+++++++ peak 2046 Upper H TYR 352 - HG LEU 396 5.22 19 0.26 0.36 +++++++++*++++ +++++ peak 793 Upper HA TYR 352 - QB ALA 395 4.70 20 0.16 0.20 +++++++*++++++++++++ peak 4166 Upper QD TYR 352 - H THR 356 4.88 20 0.28 0.33 ++++++*+++++++++++++ peak 63 Upper QD TYR 352 - HB THR 356 4.12 20 0.36 0.42 ++++++*+++++++++++++ peak 44 Upper QD TYR 352 - HB2 PRO 358 3.56 20 0.38 0.46 +++++++++++++*++++++ peak 245 Upper QD TYR 352 - QQD LEU 396 3.54 19 0.21 0.27 + ++++++++++++++*+++ peak 252 Upper QD TYR 352 - QD1 ILE 400 4.36 20 0.26 0.34 +*++++++++++++++++++ peak 249 Upper QE TYR 352 - QG GLU 353 5.50 20 0.14 0.16 +++++++++++++++++*++ peak 2087 Upper QE TYR 352 - HA GLU 354 3.22 19 0.16 0.24 +++ +++++++++*++++++ peak 49 Upper QE TYR 352 - QG2 THR 356 5.50 20 0.38 0.49 ++++++*+++++++++++++ peak 1769 Upper QE TYR 352 - QQD LEU 396 4.59 11 0.11 0.18 + +++ + ++ *+ + + peak 240 Upper QE TYR 352 - QD1 ILE 400 4.28 16 0.16 0.22 +++ ++ *+++ +++++++ peak 3485 Upper HB THR 356 - QG GLU 360 5.03 8 0.16 0.57 + *++ + + + + peak 2105 Upper QG2 THR 356 - HD2 PRO 358 5.50 20 0.18 0.25 +++*++++++++++++++++ peak 1764 Upper QG2 THR 356 - H LEU 362 5.50 19 0.21 0.31 +++++ ++++++++++*+++ peak 1774 Upper QG2 THR 356 - HE21 GLN 364 5.35 19 0.55 0.62 +++++++ ++++++++*+++ peak 919 Upper H GLY 357 - H GLU 360 5.50 19 0.14 0.17 +++++++++++++*+++++ peak 398 Upper H GLY 357 - QG GLU 360 5.34 20 0.29 0.36 ++++++++++++++++++*+ peak 824 Upper HA3 GLY 357 - H GLN 359 4.35 20 0.18 0.23 +++++++++++++*++++++ peak 831 Upper HA PRO 358 - H LEU 362 5.42 20 0.37 0.48 ++++++++++++++++*+++ peak 875 Upper HB2 PRO 358 - QQD LEU 362 5.03 20 0.25 0.43 ++++++++++++++++*+++ peak 4303 Upper H GLN 359 - H LEU 362 5.50 20 0.25 0.29 +++++++++*++++++++++ peak 161 Upper H GLN 359 - QQD LEU 362 5.44 20 0.29 0.42 ++++++++++++*+++++++ peak 842 Upper HA GLN 359 - H LEU 362 3.62 18 0.15 0.20 ++++*++ ++ +++++++++ peak 877 Upper HA GLN 359 - HB2 LEU 362 4.30 9 0.09 0.15 ++++* + ++ + peak 1874 Upper H GLU 360 - QG GLU 360 3.44 16 0.49 0.62 +*+ ++ +++++++++++ peak 860 Upper HG2 GLU 360 - HE21 GLN 364 5.23 11 0.11 0.24 + ++*+++++++ peak 2242 Upper HA ALA 361 - QG GLN 364 5.34 20 0.34 0.90 +++++++*++++++++++++ peak 2329 Upper QB ALA 361 - QD2 LEU 362 3.78 20 0.71 0.75 *+++++++++++++++++++ peak 4209 Upper H LEU 362 - HG LEU 365 5.50 14 0.13 0.23 ++++++ ++ ++++ *+ peak 2392 Upper H LEU 362 - QD1 LEU 365 5.50 20 1.02 1.06 +++++++++++++++*++++ peak 2399 Upper HA LEU 362 - QD PHE 392 5.50 20 0.28 0.31 ++++++*+++++++++++++ peak 1852 Upper QQD LEU 362 - H ARG 366 5.44 9 0.10 0.26 + ++* + ++ ++ peak 948 Upper QQD LEU 362 - H LEU 389 5.44 18 0.21 0.47 *++++++ +++++++++++ peak 1133 Upper QQD LEU 362 - H GLY 394 4.22 12 0.10 0.20 + ++ ++ ++ *++ + + peak 4217 Upper QD1 LEU 362 - HA PRO 412 5.14 20 0.50 0.62 +++++++++++++++++++* peak 3745 Upper QQD LEU 362 - HA PRO 412 4.53 20 0.27 0.33 +++++++++++++++++++* peak 3745 Upper QD1 LEU 362 - HB2 PRO 412 4.52 20 0.72 0.80 +++++++++++++++++++* peak 3792 Upper QQD LEU 362 - HB2 PRO 412 3.40 20 0.64 0.68 +++++*++++++++++++++ peak 4210 Upper QD1 LEU 362 - HB3 PRO 412 4.19 18 0.19 0.34 +++ ++++++++++++++ * peak 3791 Upper QD1 LEU 362 - HG3 PRO 412 5.14 20 0.51 0.67 +++++++++++++++++++* peak 3748 Upper QD2 LEU 362 - HA PRO 412 5.14 6 0.06 0.19 + + + * + + peak 3746 Upper H ALA 363 - QD1 LEU 365 5.50 20 0.46 0.57 +*++++++++++++++++++ peak 906 Upper HA ALA 363 - HD2 ARG 366 5.50 13 0.18 0.41 ++ ++* + ++++ ++ + peak 2422 Upper QB ALA 363 - HE22 GLN 364 5.50 10 0.11 0.56 + + *++ +++ ++ peak 926 Upper HA LEU 365 - QQD LEU 368 3.75 16 0.14 0.29 + + + +++++*+++ ++++ peak 2485 Upper HB2 LEU 365 - H GLU 367 5.50 19 0.39 0.66 +++++++++ +++++*++++ peak 954 Upper QQD LEU 365 - QG ARG 366 3.56 20 0.37 0.54 +++++++++++++*++++++ peak 4295 Upper QD1 LEU 365 - QG ARG 366 4.13 6 0.06 0.22 + + +* + + peak 4283 Upper QQD LEU 365 - H PHE 392 3.54 19 0.19 0.30 +++++*++++++++++ +++ peak 1170 Upper QD1 LEU 365 - H PHE 392 4.49 20 0.98 1.23 *+++++++++++++++++++ peak 1170 Upper QQD LEU 365 - HA PHE 392 3.37 20 0.45 0.66 ++++++++++++++*+++++ peak 2394 Upper QD2 LEU 365 - QG ARG 366 4.13 20 0.79 0.93 ++++++++++++++++*+++ peak 4295 Upper H ARG 366 - QD ARG 366 3.85 17 0.20 0.35 ++++ ++++*+++++ ++ + peak 940 Upper HA ARG 366 - H LEU 368 5.17 16 0.16 0.27 ++ ++++ ++++* +++++ peak 975 Upper HA ARG 366 - H CYS 369 4.40 19 0.22 0.40 +++ +++++++++*++++++ peak 4158 Upper H GLU 367 - QD ARG 370 4.95 20 1.06 2.02 +++++++++++++++*++++ peak 2602 Upper HG2 GLU 367 - HE21 GLN 371 5.07 6 0.09 0.15 + + ++ * + peak 2473 Upper HA CYS 369 - HB3 TRP 372 5.29 20 0.58 0.79 +++++++*++++++++++++ peak 2638 Upper HA CYS 369 - HD1 TRP 372 5.32 13 0.22 0.54 ++ ++ + + +++* + ++ peak 2537 Upper HA CYS 369 - HE3 TRP 372 4.43 14 0.16 0.30 ++++ + ++++*+ + ++ peak 123 Upper HA CYS 369 - HB3 LEU 373 5.50 20 0.36 0.52 +++++++++++*++++++++ peak 2556 Upper HA CYS 369 - QQD LEU 387 5.44 12 0.15 0.39 ++++*+++ + ++ + peak 2556 Upper H ARG 370 - HE3 TRP 372 4.59 19 0.34 0.53 ++*+++++++++++ +++++ peak 136 Upper H ARG 370 - HB3 LEU 373 5.50 18 0.18 0.28 ++++++++*+++++++++ peak 992 Upper H ARG 370 - QQG VAL 388 5.44 20 0.70 1.04 +++++++++++++++++++* peak 992 Upper QG ARG 370 - HA GLN 371 4.45 9 0.17 0.77 ++ + +++* ++ peak 2594 Upper QD ARG 370 - H GLN 371 5.18 10 0.12 0.31 ++*+++ + + + + peak 273 Upper QD ARG 370 - HA GLN 371 5.34 12 0.26 0.66 +*+++ + ++++ ++ peak 2590 Upper H GLN 371 - HG2 GLN 371 3.60 19 0.29 0.51 +++++++++*+ ++++++++ peak 271 Upper H TRP 372 - H ARG 374 4.99 20 0.67 0.90 ++++++++++*+++++++++ peak 291 Upper HB2 TRP 372 - HB3 LEU 373 5.50 11 0.10 0.22 + + ++ +*+++ ++ peak 2634 Upper HB2 TRP 372 - H ARG 374 5.50 10 0.11 0.29 + + ++++ ++ + * peak 2642 Upper HB3 TRP 372 - HE3 TRP 372 3.77 14 0.14 0.24 +++++*++++++ + + peak 122 Upper HB3 TRP 372 - HB3 LEU 373 5.50 20 0.72 0.80 ++++++*+++++++++++++ peak 2636 Upper HB3 TRP 372 - HG LEU 373 5.50 19 0.20 0.58 ++++++++++++++ +*+++ peak 2636 Upper HE1 TRP 372 - HB3 LEU 386 5.50 12 0.22 0.55 ++++ ++ + + *+ + + peak 255 Upper HZ2 TRP 372 - HB3 LEU 373 5.02 19 0.38 0.58 ++++++++*+++++ +++++ peak 195 Upper HZ2 TRP 372 - QB LEU 386 3.80 14 0.26 0.61 ++++ ++ + ++* ++ + + peak 191 Upper HZ2 TRP 372 - HG LEU 386 4.24 9 0.28 0.78 + * + ++++ ++ peak 3564 Upper HH2 TRP 372 - HB3 LEU 373 3.62 20 0.29 0.44 +++*++++++++++++++++ peak 204 Upper H LEU 373 - QE MET 383 4.38 10 0.15 0.36 + + + + ++ * + + + peak 4128 Upper HA LEU 373 - QD1 LEU 386 3.95 10 0.13 0.42 ++ + *++ ++ + + peak 2650 Upper HB2 LEU 373 - H MET 383 5.50 19 0.78 1.48 +++++++ +++++++*++++ peak 1076 Upper HB3 LEU 373 - QE MET 383 4.70 17 0.32 0.64 ++++*+++ +++++++++ peak 1897 Upper HG LEU 373 - H ARG 374 5.08 20 0.31 0.52 ++++++++++++++++*+++ peak 1003 Upper QD1 LEU 373 - QB ARG 374 4.37 9 0.09 0.25 + ++++ *+ ++ peak 1921 Upper QD1 LEU 373 - HB2 MET 383 5.50 12 0.26 0.93 + + + +++ ++*++ + peak 2969 Upper QD2 LEU 373 - H ARG 374 5.26 19 0.19 0.27 ++*+++++++++++++ +++ peak 1790 Upper QD2 LEU 373 - QG MET 383 4.45 15 0.36 0.79 +++++++ +*++++ ++ peak 2956 Upper QD2 LEU 373 - H LEU 384 5.50 20 0.51 0.71 +++++++++++++++*++++ peak 1082 Upper QD2 LEU 373 - QQD LEU 384 4.31 15 0.40 0.92 ++*++++ +++++++ + peak 3067 Upper QD2 LEU 373 - H LEU 387 5.01 11 0.23 0.65 + + +*+ ++++++ peak 1102 Upper HD3 PRO 375 - QQD LEU 384 3.94 20 1.07 1.55 ++*+++++++++++++++++ peak 2680 Upper H GLU 376 - QQD LEU 384 5.44 16 0.44 0.92 +++++++++*++++ ++ peak 1008 Upper HA VAL 377 - QE MET 383 5.50 20 0.71 1.22 +++++++++++*++++++++ peak 1644 Upper QG1 VAL 377 - H SER 379 5.50 17 0.40 0.72 +++++++ +++ ++ ++*++ peak 1036 Upper HB2 ARG 378 - HG3 MET 383 5.50 14 0.26 0.66 ++ ++ +++ +*+++++ peak 2953 Upper H SER 379 - H MET 383 5.50 11 0.12 0.32 + +++ + + + *++ + peak 349 Upper QE LYS 380 - H GLN 382 5.34 7 0.09 0.43 + ++ + +* + peak 1054 Upper H GLN 382 - QG MET 383 5.34 17 0.18 0.30 +++ +++ +++ +*++++++ peak 2982 Upper HA MET 383 - HG LEU 386 3.48 11 0.50 1.23 ++++ ++ + +*+ + peak 2976 Upper H LEU 384 - H LEU 386 4.61 6 0.08 0.33 + ++ + +* peak 361 Upper HA LEU 384 - H LEU 386 4.91 8 0.09 0.29 * +++ + + ++ peak 383 Upper HA LEU 384 - HG LEU 387 4.28 16 0.36 0.82 ++++++ + ++++ ++++* peak 317 Upper H LEU 386 - HB3 LEU 387 5.50 6 0.09 0.44 + +++ + * peak 3103 Upper HA LEU 386 - H LEU 389 4.78 7 0.09 0.31 + + ++ + + * peak 469 Upper QQD LEU 386 - QQD LEU 387 2.39 18 0.46 1.12 ++++++++++ + +*+++++ peak 3049 Upper H LEU 387 - HG LEU 387 4.05 6 0.10 0.50 + + ++ * + peak 3100 Upper HB VAL 388 - H LEU 389 3.24 8 0.29 0.91 + + +++ * + + peak 1130 Upper QQG VAL 388 - H LEU 389 3.35 12 0.09 0.21 ++ +++ ++ +*+ + + peak 1139 Upper QQG VAL 388 - H LEU 393 4.95 8 0.17 0.56 + + +++ + + * peak 766 Upper HA LEU 389 - HB3 PHE 392 4.65 13 0.15 0.50 * ++ + +++ +++++ + peak 1386 Upper QQD LEU 389 - H SER 411 4.13 8 0.23 0.65 ++ + + +* ++ peak 3194 Upper QQD LEU 389 - HG3 PRO 412 3.95 8 0.10 0.42 + + + + ++ *+ peak 3776 Upper QD2 LEU 389 - H SER 411 5.45 6 0.06 0.29 ++ + *+ + peak 3199 Upper QB GLU 390 - H PHE 392 5.50 6 0.07 0.22 + + *+ + + peak 1164 Upper H GLN 391 - HB3 PHE 392 4.72 14 0.12 0.33 +++ +++++ + +*+ + + peak 1158 Upper HE22 GLN 391 - HA ALA 395 5.47 20 0.30 0.48 ++++++++++++++*+++++ peak 416 Upper HE22 GLN 391 - QB ALA 395 4.58 7 0.08 0.21 + + + + * + + peak 1064 Upper QD PHE 392 - H ALA 395 3.21 8 0.09 0.14 +++ + + ++ * peak 445 Upper QE PHE 392 - QB ALA 415 4.18 20 0.23 0.28 ++++++++*+++++++++++ peak 1688 Upper QE PHE 392 - H ALA 416 5.22 20 0.25 0.28 +++++++++++++*++++++ peak 964 Upper QE PHE 392 - QB ALA 416 4.34 20 0.15 0.20 ++++++++++++*+++++++ peak 162 Upper QE PHE 392 - QQG VAL 419 4.09 15 0.14 0.33 +++++++++* + ++ ++ peak 163 Upper QE PHE 392 - QG1 VAL 419 5.50 7 0.08 0.23 + +++ + *+ peak 163 Upper HZ PHE 392 - QD1 LEU 396 4.96 20 0.33 0.44 *+++++++++++++++++++ peak 182 Upper HZ PHE 392 - QB ALA 416 4.29 20 0.26 0.32 ++++++++++++++*+++++ peak 176 Upper HA LEU 393 - QQD LEU 396 4.19 8 0.09 0.24 + * ++++ + + peak 3332 Upper QQD LEU 393 - H GLN 405 5.35 7 0.08 0.18 + +* + ++ + peak 3295 Upper QQD LEU 393 - HA GLN 405 3.97 6 0.08 0.24 *+ +++ + peak 3278 Upper QQD LEU 393 - QG GLN 405 4.25 8 0.08 0.20 ++ + +*+ ++ peak 3273 Upper QQD LEU 393 - H ALA 415 5.44 14 0.15 0.25 + ++ + ++ + ++*++++ peak 3293 Upper HA2 GLY 394 - H LEU 396 3.92 19 0.15 0.25 ++++++++++*+++ +++++ peak 461 Upper H ALA 395 - QD1 LEU 396 5.50 12 0.10 0.20 ++ + +*+++ +++ + peak 1113 Upper H LEU 396 - QD1 LEU 396 4.72 6 0.08 0.12 +*+++ + peak 1188 Upper H LEU 396 - QD1 ILE 400 5.50 6 0.08 0.14 ++ + +* + peak 3487 Upper H LEU 396 - HB2 GLN 401 4.41 14 0.12 0.20 ++++* ++++++ ++ + peak 1184 Upper HG LEU 396 - HG13 ILE 400 5.11 9 0.09 0.19 * +++ + + ++ + peak 3328 Upper HG LEU 396 - QQG VAL 419 3.37 20 0.30 0.55 +++++*++++++++++++++ peak 3952 Upper HA PRO 398 - HA GLN 401 5.50 9 0.10 0.15 * +++ + ++ ++ peak 3433 Upper HG13 ILE 400 - HA VAL 419 5.38 20 0.21 0.28 ++++++++++*+++++++++ peak 3945 Upper QB ALA 402 - QE2 GLN 405 5.34 14 0.12 0.22 +*++ ++ + + +++ +++ peak 1223 Upper HB VAL 404 - QE2 GLN 407 4.48 7 0.07 0.27 + + * ++ + + peak 1238 Upper QE2 GLN 407 - HD3 PRO 409 5.34 6 0.06 0.26 + * ++ + + peak 3707 Upper HA PRO 409 - QB GLU 414 4.51 20 0.22 0.37 +++++++++*++++++++++ peak 3856 Upper H SER 411 - H GLU 414 4.90 11 0.10 0.18 + +++++ *++++ peak 563 Upper QG GLU 413 - H GLU 414 4.08 9 0.09 0.22 *+ + + + ++ + + peak 3817 Upper HA ALA 416 - HB VAL 419 3.56 6 0.17 0.94 + + ++ +* peak 3960 Upper HA ALA 416 - QG1 VAL 419 4.00 8 0.08 0.20 +++ * ++ ++ peak 3959 Upper HA LEU 418 - HG LEU 422 4.29 20 0.34 0.39 ++*+++++++++++++++++ peak 528 Upper HA LEU 422 - QQD LEU 422 2.83 20 0.53 0.57 ++++++++++++++++*+++ peak 934 Upper QB LEU 422 - H ARG 423 3.13 20 0.29 0.39 +++++++++++++++*++++ peak 1301 VdW CG PHE 47 - C PHE 47 2.90 18 0.22 0.24 ++++++ +*++++ ++++++ VdW CE1 PHE 47 - HB2 GLN 91 2.60 7 0.12 0.40 + *+ + + ++ VdW CZ PHE 47 - HB2 GLN 91 2.60 20 0.35 0.46 +++++*++++++++++++++ VdW CE2 PHE 47 - HB2 GLN 91 2.60 11 0.19 0.42 + ++++ ++ + * ++ VdW HB3 PHE 50 - O ALA 61 2.30 20 0.32 0.44 +++++++++++++++*++++ VdW CE1 PHE 50 - O GLU 60 2.90 19 0.34 0.44 +++ ++++++++++++*+++ VdW CE1 PHE 50 - CG GLN 64 3.20 14 0.27 0.40 + + + ++++ +++ ++*+ VdW CE1 PHE 50 - HG2 GLN 64 2.60 9 0.16 0.32 + + + + +++ * + VdW CE1 PHE 50 - HG3 GLN 64 2.60 6 0.14 0.28 + +++ * + VdW CZ PHE 50 - C GLU 60 3.10 20 0.34 0.38 ++++++*+++++++++++++ VdW CZ PHE 50 - O GLU 60 2.90 20 0.48 0.53 +++++++++*++++++++++ VdW CZ PHE 50 - H GLN 64 2.55 6 0.19 0.24 *+ ++ + + VdW CZ PHE 50 - HG2 GLN 64 2.60 8 0.17 0.26 ++ + ++* + + VdW CE2 PHE 50 - C GLU 60 3.10 16 0.33 0.50 + + ++++++ +++ *++++ VdW CE2 PHE 50 - O GLU 60 2.90 13 0.25 0.41 *++ +++++ +++ ++ VdW CE2 PHE 50 - N ALA 63 3.05 16 0.26 0.36 + + ++++++ ++* +++++ VdW CE2 PHE 50 - H GLN 64 2.55 16 0.31 0.47 + + ++*+++ +++ +++++ VdW HE2 PHE 50 - N ALA 63 2.45 16 0.47 0.65 + + ++++++ ++* +++++ VdW HE2 PHE 50 - H ALA 63 1.95 16 0.27 0.43 + + ++++++ ++* +++++ VdW HE2 PHE 50 - CA ALA 63 2.60 9 0.16 0.26 + ++ + + * + ++ VdW HE2 PHE 50 - CB ALA 63 2.60 15 0.25 0.42 + + ++++++ +++ * +++ VdW CD2 PHE 50 - C ALA 61 3.10 16 0.43 0.57 + + ++++++ +++ +*+++ VdW CD2 PHE 50 - O ALA 61 2.90 11 0.18 0.31 + + + + +++ *+++ VdW CD2 PHE 50 - N LEU 62 3.05 16 0.20 0.29 * + ++++++ +++ +++++ VdW HD2 PHE 50 - C ALA 61 2.50 16 0.38 0.54 + + ++++++ +++ *++++ VdW HD2 PHE 50 - O ALA 61 2.30 15 0.20 0.30 + + ++++ + +++ +*+++ VdW HD2 PHE 50 - N LEU 62 2.45 16 0.29 0.44 + + ++++++ +++ *++++ VdW HD2 PHE 50 - CA LEU 62 2.60 16 0.30 0.41 * + ++++++ +++ +++++ VdW HA HIS 51 - CA GLY 94 2.60 6 0.18 0.23 * + + + + + VdW HA HIS 51 - HA3 GLY 94 2.00 15 0.22 0.29 * + +++++ ++++++ + + VdW HA HIS 51 - C GLY 94 2.50 6 0.18 0.24 ++ * ++ + VdW N TYR 52 - CB ALA 61 3.05 20 0.28 0.32 +*++++++++++++++++++ VdW N TYR 52 - HB2 ALA 61 2.45 7 0.11 0.28 + + + *+ ++ VdW CA TYR 52 - HB3 ALA 61 2.60 9 0.12 0.29 + +++ * ++ ++ VdW CB TYR 52 - HA PRO 58 2.60 7 0.18 0.28 + * + + + + + VdW HB2 TYR 52 - HB3 ALA 61 2.00 8 0.11 0.26 + ++ ++ * ++ VdW HB3 TYR 52 - N LEU 96 2.45 20 0.35 0.39 +*++++++++++++++++++ VdW CG TYR 52 - HA PRO 58 2.60 20 0.57 0.63 +++++++++++++++*++++ VdW CD1 TYR 52 - C TYR 52 3.10 12 0.29 0.50 ++ + ++ +++*+ + + VdW CD1 TYR 52 - HA PRO 58 2.60 12 0.16 0.33 ++ + ++ ++++* + + VdW HD1 TYR 52 - C TYR 52 2.50 12 0.27 0.47 ++ + ++ +++++ + * VdW HD1 TYR 52 - N GLU 53 2.45 12 0.28 0.48 ++ + ++ ++*++ + + VdW CD2 TYR 52 - C TYR 52 3.10 8 0.19 0.49 + *+ ++ + ++ VdW CD2 TYR 52 - HA PRO 58 2.60 8 0.10 0.28 * ++ ++ + ++ VdW HD2 TYR 52 - C TYR 52 2.50 8 0.18 0.49 + *+ ++ + ++ VdW HD2 TYR 52 - N GLU 53 2.45 8 0.19 0.48 + *+ ++ + ++ VdW CG2 THR 56 - HB3 GLU 60 2.60 10 0.13 0.25 ++ + + *++++ + VdW O THR 56 - CB GLU 60 2.90 12 0.21 0.26 +++ + ++ ++++* + VdW HG2 PRO 58 - H GLN 59 1.95 20 0.27 0.28 ++++++++++++++++++*+ VdW C PRO 58 - CZ PHE 392 3.10 15 0.24 0.32 ++ +*++++++ +++ + + VdW C PRO 58 - HZ PHE 392 2.50 20 0.28 0.33 ++++++++*+++++++++++ VdW O PRO 58 - N ALA 61 2.75 19 0.23 0.25 ++++++ *++++++++++++ VdW N GLN 59 - CZ PHE 392 3.05 20 0.27 0.32 +++++*++++++++++++++ VdW H GLN 59 - HE21 GLN 59 1.90 19 0.44 0.51 ++++++*++++++++++++ VdW CA GLN 59 - CE1 PHE 392 3.20 8 0.13 0.27 + + +* ++ + + VdW CA GLN 59 - CZ PHE 392 3.20 20 0.41 0.48 ++++++++++++*+++++++ VdW CA GLN 59 - CE2 PHE 392 3.20 11 0.14 0.28 * + ++ + ++ +++ + VdW HA GLN 59 - CE1 PHE 392 2.60 20 0.40 0.49 ++++++++*+++++++++++ VdW HA GLN 59 - CZ PHE 392 2.60 20 0.62 0.75 ++++++++++++*+++++++ VdW HA GLN 59 - CE2 PHE 392 2.60 20 0.40 0.53 *+++++++++++++++++++ VdW CB GLN 59 - HE21 GLN 59 2.55 19 0.26 0.34 +++*+++++++++++++++ VdW CB GLN 59 - CA PRO 412 3.20 8 0.20 0.28 + *+ + +++ + VdW CB GLN 59 - HA PRO 412 2.60 20 0.42 0.55 +++++*++++++++++++++ VdW HB2 GLN 59 - N ALA 416 2.45 20 0.30 0.32 ++++++++++++++*+++++ VdW HB2 GLN 59 - CA ALA 416 2.60 11 0.20 0.23 + +++ *+ ++ ++ + VdW HB3 GLN 59 - CA PRO 412 2.60 16 0.25 0.38 * +++++++ ++++ +++ + VdW HB3 GLN 59 - HA PRO 412 2.00 8 0.15 0.28 * ++ + +++ + VdW HB3 GLN 59 - C PRO 412 2.50 20 0.45 0.52 *+++++++++++++++++++ VdW HB3 GLN 59 - O PRO 412 2.30 20 0.44 0.54 ++++++++++++++*+++++ VdW CG GLN 59 - CD1 PHE 392 3.20 9 0.16 0.42 ++ + ++ ++ * + VdW CG GLN 59 - CD2 PHE 392 3.20 11 0.19 0.40 + + ++ + ++ *++ + VdW CG GLN 59 - CA PRO 412 3.20 20 0.27 0.31 +++++*++++++++++++++ VdW CG GLN 59 - HA PRO 412 2.60 20 0.74 0.77 +++++*++++++++++++++ VdW CG GLN 59 - HB1 ALA 415 2.60 6 0.12 0.41 + + *++ + VdW CG GLN 59 - HB2 ALA 415 2.60 7 0.14 0.42 + *++ + + + VdW CG GLN 59 - HB3 ALA 415 2.60 7 0.13 0.39 ++ + + + *+ VdW HG2 GLN 59 - HA PRO 412 2.00 20 0.38 0.45 ++++++++++++++*+++++ VdW HG2 GLN 59 - HB1 ALA 415 2.00 6 0.12 0.42 + + +++ * VdW HG2 GLN 59 - HB2 ALA 415 2.00 7 0.15 0.45 + +++ * + + VdW HG2 GLN 59 - HB3 ALA 415 2.00 7 0.15 0.46 *+ + + + ++ VdW HG3 GLN 59 - CD1 PHE 392 2.60 9 0.32 0.74 +* + ++ ++ + + VdW HG3 GLN 59 - CE1 PHE 392 2.60 6 0.08 0.24 + ++ ++ * VdW HG3 GLN 59 - CD2 PHE 392 2.60 11 0.39 0.74 + + +* + ++ +++ + VdW HE22 GLN 59 - CD1 LEU 396 2.55 20 0.33 0.40 ++++++++++++*+++++++ VdW C GLN 59 - H ALA 61 2.45 20 0.29 0.31 ++*+++++++++++++++++ VdW C GLN 59 - O PRO 412 2.80 20 0.59 0.66 +++++++++++*++++++++ VdW O GLN 59 - HB1 ALA 63 2.30 7 0.11 0.27 + +++ + + * VdW O GLN 59 - HB3 ALA 63 2.30 8 0.11 0.29 +++ + + * ++ VdW O GLN 59 - O PRO 412 2.60 20 0.55 0.59 +++++++++++*++++++++ VdW H GLU 60 - CB ALA 416 2.55 20 0.28 0.34 ++++++++++++*+++++++ VdW H GLU 60 - HB1 ALA 416 1.95 7 0.10 0.29 ++ * + ++ + VdW H GLU 60 - HB3 ALA 416 1.95 9 0.12 0.29 ++ +*+++ ++ VdW CB ALA 61 - HA ALA 95 2.60 20 0.27 0.31 +++++++++++++*++++++ VdW CB LEU 62 - CD2 LEU 65 3.20 18 0.25 0.31 +++++++++ ++++*+ +++ VdW CB LEU 62 - HD22 LEU 65 2.60 6 0.11 0.26 + *+ + ++ VdW HB2 LEU 62 - HD1 PHE 392 2.00 11 0.30 0.61 * + ++ + ++ +++ + VdW HB2 LEU 62 - HD2 PHE 392 2.00 9 0.24 0.58 ++ + ++ *+ + + VdW HB3 LEU 62 - CD2 LEU 65 2.60 20 0.50 0.56 ++++++++++++*+++++++ VdW HB3 LEU 62 - HD21 LEU 65 2.00 12 0.28 0.53 * + +++ ++ +++ ++ VdW HB3 LEU 62 - HD23 LEU 65 2.00 6 0.13 0.50 + + + +* + VdW CD1 LEU 62 - CB ALA 95 3.20 17 0.27 0.36 +++ +++++ +* +++++++ VdW CD1 LEU 62 - HB1 ALA 95 2.60 6 0.10 0.36 + +++ * + VdW CD1 LEU 62 - HB2 ALA 95 2.60 9 0.15 0.34 + ++ +++* ++ VdW CD1 LEU 62 - HD12 LEU 362 2.60 6 0.11 0.42 + + + *+ + VdW HD12 LEU 62 - CD2 PHE 92 2.60 6 0.12 0.44 ++ * + + + VdW HD13 LEU 62 - CD1 LEU 362 2.60 7 0.12 0.37 ++++ + * + VdW CD2 LEU 62 - CG1 VAL 88 3.20 7 0.12 0.28 + + * + + + + VdW CD2 LEU 62 - CD2 LEU 362 3.20 20 0.29 0.36 *+++++++++++++++++++ VdW HD23 LEU 62 - HD2 PHE 92 2.00 7 0.11 0.38 + +++ + * + VdW O LEU 62 - C ALA 63 2.80 17 0.24 0.29 *+++++ +++++++ ++++ VdW O LEU 62 - CB LEU 65 2.90 17 0.27 0.43 + ++++++*++++ +++++ VdW O LEU 62 - CG LEU 65 2.90 20 0.43 0.54 +++++++*++++++++++++ VdW O LEU 62 - HG LEU 65 2.30 20 0.39 0.51 +++++++*++++++++++++ VdW CA ALA 63 - HB2 PRO 412 2.60 12 0.21 0.25 +* ++ + +++++ + + VdW CA ALA 63 - HG2 PRO 412 2.60 6 0.17 0.25 ++ + * + + VdW HA ALA 63 - CG PRO 412 2.60 20 0.45 0.53 +++++++++++++*++++++ VdW HA ALA 63 - HG2 PRO 412 2.00 20 0.45 0.60 +++++++++++++*++++++ VdW CB ALA 63 - C PRO 412 3.10 15 0.20 0.24 + +++ +*+ ++++ ++++ VdW HB1 ALA 63 - O PRO 412 2.30 8 0.13 0.32 + ++* +++ + VdW HB3 ALA 63 - O PRO 412 2.30 9 0.13 0.32 +++ + + * +++ VdW O ALA 63 - C GLN 64 2.80 19 0.27 0.33 +++++++++++++++ *+++ VdW O ALA 63 - N LEU 65 2.75 9 0.19 0.32 + +++*+ + + + VdW O ALA 63 - N ARG 66 2.75 20 0.35 0.40 ++++++++++++*+++++++ VdW O ALA 63 - H ARG 66 1.80 16 0.27 0.36 *+++++ +++ ++ +++ ++ VdW O ALA 63 - CG ARG 66 2.90 20 0.56 0.64 ++++++++*+++++++++++ VdW O ALA 63 - HG2 ARG 66 2.30 14 0.32 0.64 ++ +++ +*++ ++ + ++ VdW O ALA 63 - HG3 ARG 66 2.30 16 0.30 0.51 +++++ ++ ++* +++++ + VdW CB LEU 65 - HG2 GLN 91 2.60 6 0.16 0.44 + +++ + * VdW CD1 LEU 65 - C LEU 65 3.10 20 0.27 0.40 +++++++*++++++++++++ VdW CD1 LEU 65 - CG2 VAL 388 3.20 12 0.14 0.28 ++ +++ +* +++ + + VdW CD2 LEU 65 - CG GLN 91 3.20 13 0.22 0.36 +++ + +++ *+++ ++ VdW CD2 LEU 65 - HG2 GLN 91 2.60 20 0.32 0.39 +*++++++++++++++++++ VdW O LEU 65 - CB CYS 69 2.90 17 0.28 0.44 ++*+++++ +++++ ++++ VdW O LEU 65 - HB3 CYS 69 2.30 11 0.25 0.52 ++++*++ +++ + VdW O LEU 65 - SG CYS 69 3.10 11 0.25 0.47 + ++ ++ ++ ++ +* VdW HB3 ARG 66 - CG2 VAL 388 2.60 7 0.12 0.36 + + +++ * + VdW HG3 ARG 66 - H GLU 67 1.95 7 0.17 0.28 + +*+ + + + VdW HA GLU 67 - CD2 LEU 384 2.60 9 0.20 0.51 +++++* + ++ VdW CB CYS 69 - CH2 TRP 72 3.20 15 0.25 0.37 + + +++*+++++ ++ ++ VdW HB2 CYS 69 - CH2 TRP 72 2.60 12 0.24 0.47 + +++ +*+ ++++ + VdW SG CYS 69 - C CYS 69 3.10 17 0.23 0.29 +++++++++ +++++* ++ VdW SG CYS 69 - N ARG 70 3.25 18 0.56 0.75 ++++++*++ ++++++ +++ VdW SG CYS 69 - H ARG 70 2.75 18 0.37 0.68 +++++++++ *+++++ +++ VdW C CYS 69 - N GLN 71 2.95 20 0.35 0.43 +++++++++*++++++++++ VdW C CYS 69 - H GLN 71 2.45 20 0.48 0.59 +++++++++*++++++++++ VdW C CYS 69 - CZ3 TRP 72 3.10 19 0.29 0.39 ++++++++++ ++++++++* VdW O CYS 69 - N GLN 71 2.75 20 0.44 0.61 +++++++++*++++++++++ VdW O CYS 69 - CD2 TRP 72 2.90 15 0.28 0.49 + ++++*+ +++ ++++ + VdW O CYS 69 - CE3 TRP 72 2.90 20 0.74 0.91 ++++++*+++++++++++++ VdW O CYS 69 - CZ3 TRP 72 2.90 20 0.48 0.60 +*++++++++++++++++++ VdW HA ARG 70 - CG LEU 73 2.60 16 0.46 0.65 ++++++++++ +*+++ + VdW HA ARG 70 - HG LEU 73 2.00 16 0.33 0.54 ++*+++ +++ +++++ ++ VdW HA ARG 70 - CD2 LEU 73 2.60 17 0.42 0.61 ++++++++++ +++++* + VdW HB3 ARG 70 - HH12 ARG 70 1.95 6 0.12 0.39 +*+ + + + VdW CG ARG 70 - NH1 ARG 70 3.10 8 0.13 0.36 + +++ * + ++ VdW CG ARG 70 - HH12 ARG 70 2.55 9 0.17 0.48 + +++ + * + ++ VdW CG ARG 70 - HD13 LEU 73 2.60 6 0.12 0.44 +*++ + + VdW CD ARG 70 - CD1 LEU 387 3.20 8 0.14 0.45 ++ + + + +*+ VdW HD2 ARG 70 - CD1 LEU 387 2.60 8 0.15 0.50 ++ + + * + ++ VdW HD3 ARG 70 - CD2 LEU 384 2.60 10 0.24 0.60 ++++++ ++ +* VdW NE ARG 70 - HB3 MET 383 2.45 6 0.13 0.68 + +*++ + VdW NH1 ARG 70 - HA LYS 380 2.50 8 0.17 0.58 ++ + + * + ++ VdW NH2 ARG 70 - C ARG 374 3.00 6 0.12 0.45 ++ + * + + VdW NH2 ARG 70 - O ARG 374 2.80 7 0.14 0.51 ++ + + * ++ VdW NH2 ARG 70 - HA PRO 375 2.50 9 0.18 0.54 + +++ + ++ *+ VdW C ARG 70 - H TRP 72 2.45 20 0.37 0.52 ++++++++++++++++*+++ VdW O ARG 70 - HG3 PRO 375 2.30 13 0.23 0.43 +++ ++ ++++ * ++ + VdW O GLN 71 - HB3 TRP 72 2.30 9 0.19 0.52 ++ + + ++ + + * VdW N TRP 72 - HE3 TRP 72 2.45 10 0.16 0.33 ++ + + + *++ ++ VdW H TRP 72 - HE3 TRP 72 1.95 6 0.12 0.27 + + *++ + VdW CA TRP 72 - CE3 TRP 72 3.20 15 0.21 0.24 ++++++++++ + ++ +* VdW CA TRP 72 - HE3 TRP 72 2.60 17 0.24 0.29 ++++++++++ +++++ +* VdW CG TRP 72 - O TRP 72 2.90 12 0.23 0.50 ++ + +++ + *++ ++ VdW CD2 TRP 72 - C TRP 72 3.10 15 0.23 0.38 ++++ +++++ + +++ *+ VdW CD2 TRP 72 - O TRP 72 2.90 17 0.41 0.82 ++++++++++ +++++ *+ VdW CE3 TRP 72 - C TRP 72 3.10 20 0.64 0.71 *+++++++++++++++++++ VdW CE3 TRP 72 - O TRP 72 2.90 17 0.53 0.82 ++++++++++ +++++ *+ VdW HE3 TRP 72 - C TRP 72 2.50 20 0.78 0.93 ++++++++++++*+++++++ VdW HE3 TRP 72 - O TRP 72 2.30 8 0.18 0.41 + + ++ + + +* VdW HE3 TRP 72 - N LEU 73 2.45 18 0.37 0.74 ++++++++++*++ ++++ + VdW CZ3 TRP 72 - HB3 LEU 73 2.60 9 0.21 0.49 + + +++ + *++ VdW CZ2 TRP 72 - HG LEU 86 2.60 9 0.17 0.43 + + ++ + ++* + VdW HZ3 TRP 72 - CG LEU 73 2.60 13 0.21 0.32 *+++++ +++ + ++ + VdW HZ3 TRP 72 - CD2 LEU 73 2.60 12 0.24 0.53 ++ + +++++ ++ * + VdW HZ3 TRP 72 - HD21 LEU 73 2.00 6 0.12 0.46 + ++* + + VdW HZ3 TRP 72 - HD23 LEU 73 2.00 6 0.10 0.41 + + + * + + VdW HH2 TRP 72 - HA LEU 87 2.00 12 0.25 0.44 *+++ + + ++ ++ ++ VdW HA LEU 73 - HG2 MET 83 2.00 11 0.18 0.42 ++++* + ++ + + + VdW CD1 LEU 73 - C LEU 73 3.10 6 0.16 0.35 + + + +*+ VdW CD1 LEU 73 - O LEU 73 2.90 15 0.35 0.57 +++*++ +++ ++ ++ ++ VdW CD1 LEU 73 - HD3 PRO 375 2.60 12 0.23 0.44 + *++ ++++ +++ + VdW HD11 LEU 73 - O LEU 73 2.30 7 0.14 0.46 + +++ + + * VdW HD12 LEU 73 - C LEU 73 2.50 6 0.12 0.35 +++ + + * VdW HD12 LEU 73 - O LEU 73 2.30 8 0.16 0.49 ++++ ++ + * VdW CD2 LEU 73 - CD2 LEU 373 3.20 15 0.23 0.33 ++++++++++ ++ +* + VdW CD2 LEU 73 - HD21 LEU 373 2.60 8 0.14 0.37 * + + +++ + + VdW O LEU 73 - HD3 PRO 75 2.30 8 0.14 0.34 + ++ *++ ++ VdW H ARG 74 - CG ARG 74 2.55 11 0.19 0.37 ++ ++ + + ++ + +* VdW HA ARG 74 - CD PRO 75 2.60 15 0.22 0.29 +++++* +++ ++ ++ ++ VdW CB ARG 74 - CG1 VAL 77 3.20 15 0.27 0.38 ++++++ ++* ++ ++ ++ VdW HB2 ARG 74 - HG22 VAL 77 2.00 6 0.08 0.28 ++* + + + VdW HB3 ARG 74 - HG11 VAL 77 2.00 7 0.09 0.29 ++++ + +* VdW C ARG 74 - NH2 ARG 370 3.00 8 0.17 0.59 +++ * + + + + VdW O ARG 74 - NH2 ARG 370 2.80 9 0.16 0.48 +++ * + + + + + VdW HA PRO 75 - NH2 ARG 370 2.50 7 0.17 0.67 * + +++ + + VdW CB PRO 75 - H GLU 76 2.55 20 0.27 0.33 +++++++++++++++*++++ VdW HG3 PRO 75 - O ARG 370 2.30 14 0.24 0.46 +++++ *++ + + ++++ VdW HD3 PRO 75 - CD1 LEU 373 2.60 16 0.28 0.51 + +++++ +++*+ ++ +++ VdW C PRO 75 - N VAL 77 2.95 18 0.25 0.33 ++*++++++++++++ +++ VdW C PRO 75 - H VAL 77 2.45 20 0.49 0.60 ++*+++++++++++++++++ VdW O PRO 75 - N VAL 77 2.75 13 0.21 0.38 +*+++++ + + ++ + + VdW N VAL 77 - CG1 VAL 77 2.85 12 0.20 0.23 ++ ++*+++ + + + + VdW CG2 VAL 77 - C VAL 77 2.90 19 0.28 0.32 ++++++*++++++ ++++++ VdW HG22 VAL 77 - C VAL 77 2.50 6 0.09 0.32 +++ + + * VdW CB ARG 78 - CE MET 83 3.20 7 0.14 0.29 + + + +* + + VdW HB3 ARG 78 - H SER 79 1.95 15 0.23 0.42 +++++ +++++ + *+++ VdW O SER 79 - SD MET 83 3.10 7 0.14 0.40 ++ + + +*+ VdW O SER 79 - NH2 ARG 370 2.80 6 0.12 0.46 + * + + + + VdW H LYS 80 - HG2 LYS 80 1.95 9 0.17 0.45 + +++ ++ *+ + VdW HA LYS 80 - NH1 ARG 370 2.50 9 0.19 0.57 +++ *+ + + + + VdW HB2 LYS 80 - CD1 LEU 84 2.60 6 0.12 0.42 + + + * + + VdW O LYS 80 - N LEU 84 2.75 12 0.20 0.36 ++ ++ ++++ + *++ VdW O LYS 80 - HG LEU 84 2.30 9 0.17 0.44 + + ++*+++ + VdW HB2 MET 83 - CZ ARG 370 2.60 7 0.16 0.75 + +++ * + + VdW O MET 83 - C LEU 84 2.80 12 0.19 0.36 +++++ *+ ++ + + + VdW O MET 83 - N LEU 86 2.75 8 0.17 0.47 * + ++++ + + VdW O MET 83 - HG LEU 86 2.30 6 0.11 0.43 + + + +*+ VdW CD2 LEU 84 - HA GLU 367 2.60 11 0.20 0.46 ++ + + + ++ + ++ * VdW CD2 LEU 84 - HB3 ARG 370 2.60 9 0.21 0.52 *+ + ++ + + ++ VdW CD2 LEU 84 - HD3 ARG 370 2.60 11 0.22 0.54 ++ + + +++ + ++ * VdW O GLU 85 - CB LEU 89 2.90 18 0.39 0.55 *+++++++ ++++ ++++++ VdW O GLU 85 - HB2 LEU 89 2.30 17 0.36 0.59 ++++++++++ ++++ *++ VdW CD2 LEU 86 - C LEU 86 3.10 6 0.10 0.31 + + + + *+ VdW CA LEU 87 - CD2 LEU 87 3.00 10 0.13 0.27 + ++ + + * + +++ VdW HA LEU 87 - CD2 LEU 87 2.60 9 0.20 0.49 + ++ + + + *++ VdW CD1 LEU 87 - HB2 ARG 370 2.60 14 0.27 0.51 +++++ +++++ *+ ++ VdW CA VAL 88 - HB3 GLN 91 2.60 18 0.28 0.39 ++++ +++++*++++ ++++ VdW HA VAL 88 - CB GLN 91 2.60 17 0.23 0.33 ++++ +++ ++++++ *+++ VdW HA VAL 88 - HB3 GLN 91 2.00 20 0.55 0.63 +++++++++++*++++++++ VdW CG2 VAL 88 - CD1 LEU 365 3.20 10 0.15 0.33 +++ + + ++ * ++ VdW CG2 VAL 88 - HB3 ARG 366 2.60 6 0.11 0.38 + * ++ + + VdW O VAL 88 - C LEU 89 2.80 16 0.24 0.31 + ++*++++++ +++++ + VdW CA LEU 89 - CD PRO 112 3.20 10 0.17 0.26 + + +* + + ++++ VdW HA LEU 89 - CD PRO 112 2.60 20 0.45 0.62 +++++++*++++++++++++ VdW HA LEU 89 - HD2 PRO 112 2.00 20 0.43 0.54 ++++++++++++++*+++++ VdW O LEU 89 - HA SER 111 2.30 8 0.20 0.42 +++ *+ + + + VdW O LEU 89 - HD3 PRO 112 2.30 13 0.26 0.47 ++* + + ++++ +++ + VdW CG GLN 91 - C GLN 91 2.90 7 0.17 0.22 + *+ + ++ + VdW HG3 GLN 91 - N PHE 92 2.45 14 0.23 0.37 ++++++ * +++ ++ + + VdW NE2 GLN 91 - C GLN 91 2.95 7 0.19 0.25 + ++ + + * + VdW CB PHE 92 - HB3 PRO 112 2.60 20 0.43 0.49 ++++++++++++*+++++++ VdW HB3 PHE 92 - HB3 PRO 112 2.00 9 0.20 0.36 + + + +++ * ++ VdW CG PHE 92 - HB3 PRO 112 2.60 10 0.18 0.37 +++ *+ + + ++ + VdW CD1 PHE 92 - C PHE 92 3.10 8 0.15 0.25 ++ +* + +++ VdW CD1 PHE 92 - O PHE 92 2.90 14 0.22 0.34 ++ +++++ ++*++ ++ VdW CD1 PHE 92 - CG GLN 359 3.20 14 0.24 0.40 ++ +++++ +++++ +* VdW CD1 PHE 92 - HG3 GLN 359 2.60 14 0.49 0.76 ++ +++*+ +++++ ++ VdW HD1 PHE 92 - C PHE 92 2.50 13 0.18 0.31 ++ +*+++ +++++ + VdW HD1 PHE 92 - O PHE 92 2.30 14 0.25 0.41 *+ +++++ +++++ ++ VdW HD1 PHE 92 - HB2 LEU 362 2.00 6 0.16 0.57 * +++ ++ VdW CE1 PHE 92 - CB ALA 95 3.20 14 0.25 0.41 *+ +++++ +++++ ++ VdW CE1 PHE 92 - CA GLN 359 3.20 12 0.17 0.27 ++ +++ + +* ++ ++ VdW CE1 PHE 92 - HA GLN 359 2.60 20 0.41 0.51 *+++++++++++++++++++ VdW CE1 PHE 92 - HG3 GLN 359 2.60 7 0.15 0.33 + *++ + ++ VdW CZ PHE 92 - HB1 ALA 95 2.60 9 0.16 0.43 + *+ ++++ ++ VdW CZ PHE 92 - HB3 ALA 95 2.60 6 0.11 0.44 * +++ + + VdW CZ PHE 92 - C PRO 358 3.10 13 0.24 0.38 + + + ++++++ +* ++ VdW CZ PHE 92 - N GLN 359 3.05 20 0.27 0.33 +++++++++++++*++++++ VdW CZ PHE 92 - CA GLN 359 3.20 20 0.41 0.48 +++++++++++++++*++++ VdW CZ PHE 92 - HA GLN 359 2.60 20 0.61 0.74 *+++++++++++++++++++ VdW HZ PHE 92 - C PRO 358 2.50 20 0.28 0.33 +++++++++++++++*++++ VdW CE2 PHE 92 - CB ALA 95 3.20 6 0.11 0.39 + +++ +* VdW CE2 PHE 92 - CA GLN 359 3.20 6 0.10 0.26 + +*+ ++ VdW CE2 PHE 92 - HA GLN 359 2.60 20 0.38 0.48 +++++++++++++++++*++ VdW CD2 PHE 92 - O PHE 92 2.90 6 0.09 0.33 + *++ ++ VdW CD2 PHE 92 - CG GLN 359 3.20 6 0.11 0.41 + +++ *+ VdW CD2 PHE 92 - HG3 GLN 359 2.60 6 0.21 0.74 + ++* ++ VdW CD2 PHE 92 - HB2 LEU 362 2.60 7 0.14 0.34 + ++ * + ++ VdW HD2 PHE 92 - O PHE 92 2.30 6 0.10 0.36 + *++ ++ VdW HD2 PHE 92 - HB2 LEU 362 2.00 14 0.38 0.62 ++ ++++* +++++ ++ VdW C PHE 92 - N GLY 94 2.95 20 0.37 0.40 ++*+++++++++++++++++ VdW C PHE 92 - H GLY 94 2.45 20 0.41 0.45 ++++*+++++++++++++++ VdW O PHE 92 - C LEU 93 2.80 20 0.27 0.30 ++++++++++++++*+++++ VdW O PHE 92 - N GLY 94 2.75 20 0.57 0.62 ++*+++++++++++++++++ VdW O PHE 92 - N ALA 95 2.75 20 0.40 0.44 ++++++++++++++++*+++ VdW O GLY 94 - N LEU 96 2.75 20 0.58 0.62 ++++++++++++++*+++++ VdW O GLY 94 - H LEU 96 1.80 15 0.23 0.29 + + + +++++++ +*+++ VdW O ALA 95 - CG LEU 96 2.90 19 0.24 0.27 +++++++*+ ++++++++++ VdW O ALA 95 - HG LEU 96 2.30 18 0.27 0.31 +++++++++ *+++++ +++ VdW HA LEU 96 - CD2 LEU 96 2.60 7 0.18 0.22 +*+ + + + + VdW HA LEU 96 - CD PRO 97 2.60 20 0.29 0.30 ++*+++++++++++++++++ VdW CD1 LEU 96 - HE22 GLN 359 2.55 20 0.33 0.37 ++++++++++++++++*+++ VdW HG2 PRO 97 - HG3 GLU 99 2.00 10 0.12 0.27 * ++ + ++ + +++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 8 0.19 0.26 * + ++ ++ + + VdW O PRO 97 - CB GLN 101 2.90 20 0.35 0.40 ++++++*+++++++++++++ VdW H GLU 99 - CG GLU 99 2.55 10 0.13 0.26 + ++ + *+ + +++ VdW H ILE 100 - CG1 ILE 100 2.55 19 0.24 0.27 *+++++ +++++++++++++ VdW CG1 VAL 104 - C VAL 104 2.90 19 0.26 0.29 +++++++*+++++ ++++++ VdW HA SER 111 - CD PRO 112 2.60 20 0.28 0.29 +++++++++++++++*++++ VdW O SER 111 - CB ALA 115 2.90 19 0.25 0.32 +*++++++++ +++++++++ VdW CA PRO 112 - CB GLN 359 3.20 8 0.19 0.27 +++ * + + + + VdW CA PRO 112 - HB3 GLN 359 2.60 16 0.24 0.37 +++++++* + ++ +++++ VdW CA PRO 112 - CG GLN 359 3.20 20 0.26 0.30 ++++*+++++++++++++++ VdW HA PRO 112 - CB GLN 359 2.60 20 0.41 0.54 ++++*+++++++++++++++ VdW HA PRO 112 - CG GLN 359 2.60 20 0.73 0.76 ++++*+++++++++++++++ VdW HA PRO 112 - HG2 GLN 359 2.00 20 0.39 0.46 ++++++++*+++++++++++ VdW HB2 PRO 112 - CA ALA 363 2.60 9 0.20 0.24 + + + + *++ + + VdW CG PRO 112 - HA ALA 363 2.60 20 0.47 0.53 ++++++*+++++++++++++ VdW HG2 PRO 112 - CA ALA 363 2.60 11 0.19 0.28 * ++ + + + + ++++ VdW HG2 PRO 112 - HA ALA 363 2.00 20 0.47 0.58 ++++++*+++++++++++++ VdW C PRO 112 - HB3 GLN 359 2.50 20 0.44 0.49 +++++++*++++++++++++ VdW C PRO 112 - CB ALA 363 3.10 6 0.19 0.23 +* + ++ + VdW O PRO 112 - HB3 GLN 359 2.30 20 0.45 0.56 ++++++++++*+++++++++ VdW O PRO 112 - C GLN 359 2.80 20 0.58 0.64 +++++*++++++++++++++ VdW O PRO 112 - O GLN 359 2.60 20 0.53 0.59 +++++++++++++++*++++ VdW O PRO 112 - HB1 ALA 363 2.30 7 0.09 0.32 ++ ++ * ++ VdW O PRO 112 - HB2 ALA 363 2.30 6 0.07 0.29 + * + ++ + VdW O PRO 112 - HB3 ALA 363 2.30 6 0.09 0.29 + + + + + * VdW HB1 ALA 115 - CG GLN 359 2.60 6 0.12 0.40 + + ++ * + VdW HB1 ALA 115 - HG2 GLN 359 2.00 6 0.13 0.51 + + +* + + VdW HB2 ALA 115 - CG GLN 359 2.60 10 0.19 0.41 *+ + ++ + + ++ + VdW HB2 ALA 115 - HG2 GLN 359 2.00 10 0.22 0.52 ++ + *+ + + ++ + VdW N ALA 116 - HB2 GLN 359 2.45 20 0.30 0.33 ++++++++++++++++++*+ VdW CA ALA 116 - HB2 GLN 359 2.60 13 0.20 0.24 ++++ + + + ++++ + * VdW HA ALA 116 - CG1 VAL 119 2.60 8 0.10 0.27 * + + + + + + + VdW CB ALA 116 - H GLU 360 2.55 20 0.28 0.34 ++++*+++++++++++++++ VdW HB2 ALA 116 - H GLU 360 1.95 9 0.13 0.31 + + + *+++ + + VdW HG LEU 345 - N ARG 346 2.45 6 0.11 0.31 + ++ + * + VdW CG PHE 347 - C PHE 347 2.90 20 0.22 0.24 ++++++++++++++++*+++ VdW CE1 PHE 347 - HB2 CYS 369 2.60 7 0.14 0.31 + ++ * + ++ VdW CE1 PHE 347 - HB2 GLN 391 2.60 12 0.21 0.40 ++++ +++ + +*++ VdW CZ PHE 347 - HB2 GLN 391 2.60 20 0.40 0.51 +++++++++*++++++++++ VdW CE2 PHE 347 - HB2 GLN 391 2.60 6 0.11 0.37 ++ + +* + VdW HB3 PHE 350 - O ALA 361 2.30 20 0.34 0.39 ++++++++*+++++++++++ VdW CD1 PHE 350 - C ALA 361 3.10 8 0.21 0.54 +*+ + ++ + + VdW CD1 PHE 350 - O ALA 361 2.90 6 0.08 0.23 +++ ++ * VdW CD1 PHE 350 - N LEU 362 3.05 8 0.10 0.27 +++ + ++ * + VdW HD1 PHE 350 - C ALA 361 2.50 8 0.19 0.48 +++ * ++ + + VdW HD1 PHE 350 - O ALA 361 2.30 8 0.09 0.27 +++ + ++ + * VdW HD1 PHE 350 - N LEU 362 2.45 8 0.14 0.38 +++ + ++ * + VdW HD1 PHE 350 - CA LEU 362 2.60 8 0.15 0.39 +++ + ++ * + VdW CE1 PHE 350 - C GLU 360 3.10 8 0.16 0.44 ++* + ++ + + VdW CE1 PHE 350 - O GLU 360 2.90 18 0.31 0.43 +++++*++++++++ +++ + VdW CE1 PHE 350 - N ALA 363 3.05 8 0.13 0.35 +++ + ++ + * VdW CE1 PHE 350 - H GLN 364 2.55 8 0.16 0.44 +*+ + ++ + + VdW CE1 PHE 350 - CG GLN 364 3.20 11 0.19 0.37 + ++ +++ + +++ * VdW CE1 PHE 350 - HG2 GLN 364 2.60 11 0.15 0.33 + ++ *++ + +++ + VdW HE1 PHE 350 - N ALA 363 2.45 8 0.24 0.64 +++ + ++ + * VdW HE1 PHE 350 - H ALA 363 1.95 8 0.13 0.39 +++ * ++ + + VdW HE1 PHE 350 - CA ALA 363 2.60 6 0.09 0.25 ++ + ++ * VdW HE1 PHE 350 - CB ALA 363 2.60 8 0.13 0.36 +++ * ++ + + VdW CZ PHE 350 - CA GLU 360 3.20 6 0.19 0.24 + + ++ + * VdW CZ PHE 350 - C GLU 360 3.10 20 0.35 0.37 +++*++++++++++++++++ VdW CZ PHE 350 - O GLU 360 2.90 20 0.46 0.52 +++++*++++++++++++++ VdW CE2 PHE 350 - C GLU 360 3.10 12 0.25 0.46 + ++ ++++ + +*+ + VdW CE2 PHE 350 - O GLU 360 2.90 16 0.28 0.39 ++++ + ++++++* ++++ VdW CE2 PHE 350 - N ALA 363 3.05 12 0.19 0.34 + ++ ++++ * +++ + VdW CE2 PHE 350 - H GLN 364 2.55 12 0.25 0.49 + ++ ++++ * +++ + VdW CE2 PHE 350 - CG GLN 364 3.20 8 0.14 0.39 ++* + ++ + + VdW CE2 PHE 350 - HG2 GLN 364 2.60 7 0.10 0.31 ++ * ++ + + VdW HE2 PHE 350 - N ALA 363 2.45 12 0.34 0.60 + ++ ++++ * +++ + VdW HE2 PHE 350 - H ALA 363 1.95 12 0.18 0.38 + ++ ++++ + +++ * VdW HE2 PHE 350 - CA ALA 363 2.60 7 0.12 0.23 + + + * + + + VdW HE2 PHE 350 - CB ALA 363 2.60 12 0.21 0.39 + ++ ++++ + +*+ + VdW CD2 PHE 350 - C ALA 361 3.10 12 0.32 0.54 + +* ++++ + +++ + VdW CD2 PHE 350 - N LEU 362 3.05 12 0.15 0.28 * ++ ++++ + +++ + VdW HD2 PHE 350 - C ALA 361 2.50 12 0.28 0.54 + ++ *+++ + +++ + VdW HD2 PHE 350 - O ALA 361 2.30 11 0.13 0.28 + ++ *++ + +++ + VdW HD2 PHE 350 - N LEU 362 2.45 12 0.23 0.43 * ++ ++++ + +++ + VdW HD2 PHE 350 - CA LEU 362 2.60 12 0.23 0.41 + *+ ++++ + +++ + VdW HA HIS 351 - CA GLY 394 2.60 6 0.18 0.21 * + ++ + + VdW HA HIS 351 - HA3 GLY 394 2.00 14 0.22 0.29 *+++ ++++ ++ ++++ VdW HA HIS 351 - C GLY 394 2.50 7 0.18 0.23 + +* + + + + VdW N TYR 352 - CB ALA 361 3.05 20 0.29 0.33 ++++++++++*+++++++++ VdW N TYR 352 - HB2 ALA 361 2.45 7 0.10 0.27 ++ +++ * + VdW CA TYR 352 - HB1 ALA 361 2.60 6 0.07 0.30 ++ + ++ * VdW CA TYR 352 - HB3 ALA 361 2.60 8 0.11 0.28 ++* +++ + + VdW CB TYR 352 - HA PRO 358 2.60 8 0.18 0.27 ++ + + + + + * VdW HB2 TYR 352 - HB3 ALA 361 2.00 7 0.10 0.25 * +++ + ++ VdW HB3 TYR 352 - N LEU 396 2.45 20 0.36 0.41 +++++*++++++++++++++ VdW CG TYR 352 - HA PRO 358 2.60 20 0.57 0.61 *+++++++++++++++++++ VdW CD1 TYR 352 - C TYR 352 3.10 12 0.28 0.48 + + +++* + + +++ + VdW CD1 TYR 352 - HA PRO 358 2.60 12 0.16 0.30 + + +++* + + +++ + VdW HD1 TYR 352 - C TYR 352 2.50 12 0.27 0.46 + + +++* + + +++ + VdW HD1 TYR 352 - N GLU 353 2.45 12 0.28 0.49 + + +*++ + + +++ + VdW CD2 TYR 352 - C TYR 352 3.10 8 0.19 0.50 + + + + + *++ VdW CD2 TYR 352 - HA PRO 358 2.60 8 0.11 0.32 + + + + + *++ VdW HD2 TYR 352 - C TYR 352 2.50 8 0.18 0.47 + + + + + *++ VdW HD2 TYR 352 - N GLU 353 2.45 8 0.18 0.47 + + + + + *++ VdW O THR 356 - CB GLU 360 2.90 13 0.20 0.25 + + ++++* ++ ++++ VdW HG2 PRO 358 - H GLN 359 1.95 20 0.28 0.28 +++++++++++++*++++++ VdW O PRO 358 - N ALA 361 2.75 20 0.23 0.26 ++++++++++++*+++++++ VdW H GLN 359 - HE21 GLN 359 1.90 19 0.44 0.49 +++++++ ++++++++*+++ VdW CB GLN 359 - HE21 GLN 359 2.55 20 0.27 0.31 ++++++++++++*+++++++ VdW C GLN 359 - H ALA 361 2.45 20 0.29 0.32 +++++*++++++++++++++ VdW O GLN 359 - HB2 ALA 363 2.30 6 0.07 0.27 + + * ++ + VdW O GLN 359 - HB3 ALA 363 2.30 6 0.09 0.37 + * + + + + VdW CB ALA 361 - HA ALA 395 2.60 20 0.27 0.31 +++++++*++++++++++++ VdW HA LEU 362 - NE2 GLN 391 2.45 6 0.16 0.26 ++ + +* + VdW CB LEU 362 - CD2 LEU 365 3.20 14 0.23 0.28 +++ *+ ++ +++++ ++ VdW HB3 LEU 362 - CD2 LEU 365 2.60 20 0.50 0.56 ++++++++++*+++++++++ VdW HB3 LEU 362 - HD21 LEU 365 2.00 7 0.18 0.50 ++ *+ +++ VdW HB3 LEU 362 - HD22 LEU 365 2.00 10 0.25 0.53 ++ ++* + ++ ++ VdW HB3 LEU 362 - HD23 LEU 365 2.00 6 0.13 0.49 *+++ + + VdW CD1 LEU 362 - CB ALA 395 3.20 15 0.25 0.35 +++++ +++++ * ++++ VdW CD1 LEU 362 - HB1 ALA 395 2.60 6 0.09 0.36 * + + + ++ VdW CD1 LEU 362 - HB2 ALA 395 2.60 6 0.09 0.33 + + +* + + VdW CD1 LEU 362 - HB3 ALA 395 2.60 8 0.13 0.35 +++ * + +++ VdW CD2 LEU 362 - CG1 VAL 388 3.20 9 0.14 0.31 ++ ++ ++* + + VdW O LEU 362 - C ALA 363 2.80 18 0.26 0.31 *++ ++++++ +++++++++ VdW O LEU 362 - CB LEU 365 2.90 11 0.22 0.30 +*+++ + + ++ + + VdW O LEU 362 - CG LEU 365 2.90 20 0.41 0.46 +++*++++++++++++++++ VdW O LEU 362 - HG LEU 365 2.30 20 0.37 0.46 *+++++++++++++++++++ VdW O ALA 363 - C GLN 364 2.80 20 0.29 0.34 ++++++++*+++++++++++ VdW O ALA 363 - N LEU 365 2.75 11 0.20 0.36 + +*++ + + +++ + VdW O ALA 363 - N ARG 366 2.75 20 0.39 0.50 ++++++++*+++++++++++ VdW O ALA 363 - H ARG 366 1.80 17 0.32 0.49 ++++++++*+ + ++++++ VdW O ALA 363 - CG ARG 366 2.90 20 0.56 0.61 ++++++++*+++++++++++ VdW O ALA 363 - HG2 ARG 366 2.30 15 0.29 0.57 ++++*++++ ++ ++++ VdW O ALA 363 - HG3 ARG 366 2.30 19 0.31 0.49 ++++ +++++++++++++*+ VdW CD1 LEU 365 - C LEU 365 3.10 17 0.24 0.32 +++++++*+++++ +++ + VdW CD2 LEU 365 - CG GLN 391 3.20 12 0.21 0.33 ++ ++ +++ +* + ++ VdW CD2 LEU 365 - HG2 GLN 391 2.60 20 0.33 0.41 +++++++++++++*++++++ VdW O LEU 365 - CB CYS 369 2.90 19 0.31 0.41 +++++++++++*+ ++++++ VdW O LEU 365 - HB3 CYS 369 2.30 18 0.34 0.50 +++*+++++++++ + ++++ VdW O LEU 365 - SG CYS 369 3.10 8 0.20 0.47 ++ +++ +* + VdW HG3 ARG 366 - H GLU 367 1.95 7 0.17 0.28 ++ + +* + + VdW CB CYS 369 - CH2 TRP 372 3.20 16 0.24 0.37 +++++*+++ ++++ + ++ VdW HB2 CYS 369 - CH2 TRP 372 2.60 10 0.20 0.34 + +* + ++++ + + VdW SG CYS 369 - C CYS 369 3.10 20 0.28 0.30 ++++++++*+++++++++++ VdW SG CYS 369 - N ARG 370 3.25 20 0.63 0.68 ++++++++++++++*+++++ VdW SG CYS 369 - H ARG 370 2.75 20 0.37 0.49 ++++++++++++++*+++++ VdW SG CYS 369 - CH2 TRP 372 3.40 12 0.20 0.29 + ++ ++ +++ * + ++ VdW HG CYS 369 - C CYS 369 2.50 6 0.11 0.34 * +++ + + VdW C CYS 369 - N GLN 371 2.95 20 0.35 0.37 ++++++++++++++++*+++ VdW C CYS 369 - H GLN 371 2.45 20 0.49 0.56 ++++++++++++++++*+++ VdW C CYS 369 - CZ3 TRP 372 3.10 20 0.31 0.40 ++++++++++++*+++++++ VdW O CYS 369 - N GLN 371 2.75 20 0.43 0.47 ++++++++++++++++*+++ VdW O CYS 369 - CD2 TRP 372 2.90 18 0.29 0.39 +++++*++++++++ + +++ VdW O CYS 369 - CE3 TRP 372 2.90 20 0.79 0.87 +++++++++++++++++++* VdW O CYS 369 - CZ3 TRP 372 2.90 20 0.54 0.60 ++++++++++++*+++++++ VdW CA ARG 370 - HG LEU 373 2.60 10 0.19 0.29 ++ + +*+ ++ ++ VdW HA ARG 370 - CG LEU 373 2.60 20 0.58 0.65 ++++++++++++*+++++++ VdW HA ARG 370 - HG LEU 373 2.00 20 0.47 0.58 +++++++++++*++++++++ VdW HA ARG 370 - CD2 LEU 373 2.60 19 0.41 0.47 ++*+++++++++++++ +++ VdW CG ARG 370 - HH12 ARG 370 2.55 7 0.11 0.38 + ++ + * ++ VdW C ARG 370 - H TRP 372 2.45 20 0.35 0.46 +++++++++++++++*++++ VdW O GLN 371 - HB3 TRP 372 2.30 10 0.21 0.34 + + + +++*+ ++ VdW N TRP 372 - HE3 TRP 372 2.45 10 0.17 0.36 + + + ++*++ ++ VdW CA TRP 372 - CE3 TRP 372 3.20 20 0.23 0.24 ++++++++++++*+++++++ VdW CA TRP 372 - HE3 TRP 372 2.60 20 0.27 0.29 ++++++++++++*+++++++ VdW CG TRP 372 - O TRP 372 2.90 11 0.21 0.42 + + + + ++*++ ++ VdW CD2 TRP 372 - C TRP 372 3.10 15 0.24 0.33 ++ + ++ +++++*++ ++ VdW CD2 TRP 372 - O TRP 372 2.90 20 0.42 0.59 ++++++++++++++*+++++ VdW CE3 TRP 372 - C TRP 372 3.10 20 0.68 0.71 +++++++++++++*++++++ VdW CE3 TRP 372 - O TRP 372 2.90 20 0.58 0.66 +++++++++++++*++++++ VdW HE3 TRP 372 - C TRP 372 2.50 20 0.82 0.94 +++++*++++++++++++++ VdW HE3 TRP 372 - O TRP 372 2.30 13 0.22 0.43 +++++*+++ ++ + + VdW HE3 TRP 372 - N LEU 373 2.45 19 0.37 0.47 ++++++*+++++++ +++++ VdW CZ3 TRP 372 - HB3 LEU 373 2.60 8 0.17 0.26 + ++ + *+ ++ VdW CZ2 TRP 372 - HG LEU 386 2.60 11 0.21 0.49 ++++ ++ + +++ * VdW HZ3 TRP 372 - CG LEU 373 2.60 18 0.26 0.34 ++ +++++++++* ++++++ VdW HH2 TRP 372 - HA LEU 387 2.00 17 0.34 0.61 ++++++++++++++ ++* VdW CA LEU 373 - HD12 LEU 373 2.60 6 0.09 0.28 + + ++ * + VdW HA LEU 373 - CG MET 383 2.60 10 0.22 0.51 + + + + ++ ++ *+ VdW HA LEU 373 - HG2 MET 383 2.00 10 0.17 0.40 ++ ++ * ++ +++ VdW CD1 LEU 373 - C LEU 373 3.10 6 0.17 0.22 + * + ++ + VdW CD1 LEU 373 - O LEU 373 2.90 19 0.47 0.60 ++++++++++++++++ ++* VdW HD11 LEU 373 - O LEU 373 2.30 10 0.19 0.42 + ++ + + ++ ++* VdW HD12 LEU 373 - C LEU 373 2.50 7 0.12 0.37 + ++ *+ + + VdW HD12 LEU 373 - O LEU 373 2.30 10 0.16 0.39 +++++ +* + + + VdW HD13 LEU 373 - O LEU 373 2.30 8 0.15 0.46 + *+ ++ +++ VdW O LEU 373 - HD3 PRO 375 2.30 8 0.17 0.34 + + + *+ +++ VdW N ARG 374 - CG ARG 374 2.85 11 0.19 0.20 +++ + * + ++ + ++ VdW H ARG 374 - CG ARG 374 2.55 14 0.21 0.33 +++++++++ + ++* + VdW HA ARG 374 - CD PRO 375 2.60 18 0.25 0.30 +++++++++++ +*+ ++++ VdW CB ARG 374 - CG1 VAL 377 3.20 17 0.28 0.37 ++++++ ++++ ++++*++ VdW HB2 ARG 374 - HG23 VAL 377 2.00 7 0.09 0.29 ++ + +* + + VdW HB3 ARG 374 - HG12 VAL 377 2.00 6 0.09 0.38 + + + * + + VdW HB3 ARG 374 - HG13 VAL 377 2.00 7 0.10 0.28 + ++ + + *+ VdW CB PRO 375 - H GLU 376 2.55 18 0.27 0.36 +++++++*++ ++++++ ++ VdW C PRO 375 - N VAL 377 2.95 14 0.22 0.29 ++ ++ ++++ +* +++ + VdW C PRO 375 - H VAL 377 2.45 20 0.45 0.56 *+++++++++++++++++++ VdW O PRO 375 - N VAL 377 2.75 8 0.16 0.29 * + ++ ++ + + VdW N VAL 377 - CG1 VAL 377 2.85 17 0.20 0.23 + +++ ++++++++++*++ VdW CG2 VAL 377 - C VAL 377 2.90 19 0.28 0.31 ++++++ ++++++++++*++ VdW CG2 VAL 377 - O VAL 377 2.90 8 0.16 0.33 + + + ++ ++ * VdW HG21 VAL 377 - C VAL 377 2.50 6 0.08 0.33 ++ + + * + VdW HG23 VAL 377 - C VAL 377 2.50 8 0.11 0.32 ++ + +*+ + + VdW CB ARG 378 - H SER 379 2.55 7 0.13 0.35 + + +* ++ + VdW HB3 ARG 378 - H SER 379 1.95 9 0.22 0.45 +*++ + + + ++ VdW H LYS 380 - HG2 LYS 380 1.95 11 0.20 0.39 +*++++ + ++ + + VdW O LYS 380 - N LEU 384 2.75 7 0.14 0.27 ++ + + ++* VdW O LYS 380 - HG LEU 384 2.30 8 0.16 0.50 ++ +*+ + + + VdW HA MET 383 - HD21 LEU 386 2.00 6 0.09 0.36 + + + * + + VdW O MET 383 - C LEU 384 2.80 8 0.19 0.35 + +++ ++ + * VdW O MET 383 - N LEU 386 2.75 10 0.22 0.47 + +++ *++ +++ VdW O GLU 385 - CB LEU 389 2.90 19 0.39 0.52 ++*+++++++++++ +++++ VdW O GLU 385 - HB2 LEU 389 2.30 15 0.29 0.67 +++++++ +++ ++++ * VdW O GLU 385 - HB3 LEU 389 2.30 9 0.16 0.43 + ++ + + ++* + VdW CA VAL 388 - HB3 GLN 391 2.60 17 0.27 0.37 *++++++++++ +++ +++ VdW HA VAL 388 - CB GLN 391 2.60 12 0.21 0.30 ++++++ + + *+ + + VdW HA VAL 388 - HB3 GLN 391 2.00 20 0.52 0.59 ++*+++++++++++++++++ VdW O VAL 388 - C LEU 389 2.80 18 0.24 0.32 +*++ ++++++++++++++ VdW CA LEU 389 - CD PRO 412 3.20 7 0.15 0.25 ++ + * + ++ VdW HA LEU 389 - CD PRO 412 2.60 19 0.40 0.56 + +*++++++++++++++++ VdW HA LEU 389 - HD2 PRO 412 2.00 20 0.41 0.50 ++++++++*+++++++++++ VdW O LEU 389 - HA SER 411 2.30 12 0.26 0.43 ++ +* + ++++ +++ VdW O LEU 389 - HD3 PRO 412 2.30 13 0.24 0.42 ++ +++ + +++* +++ VdW CG GLN 391 - N PHE 392 3.05 7 0.17 0.23 + + +* + + + VdW HG3 GLN 391 - N PHE 392 2.45 15 0.24 0.35 * +++++++++++ +++ VdW NE2 GLN 391 - C GLN 391 2.95 8 0.19 0.25 +++ + + * ++ VdW CB PHE 392 - HB3 PRO 412 2.60 20 0.43 0.49 ++++++++++*+++++++++ VdW HB3 PHE 392 - HB3 PRO 412 2.00 9 0.18 0.33 ++ ++ + *+ + + VdW CG PHE 392 - HB3 PRO 412 2.60 10 0.19 0.31 + ++ +++++* + VdW CD1 PHE 392 - O PHE 392 2.90 9 0.14 0.32 ++ + ++ +* + + VdW HD1 PHE 392 - C PHE 392 2.50 8 0.10 0.26 ++ + +* ++ + VdW HD1 PHE 392 - O PHE 392 2.30 9 0.15 0.36 ++ + +* ++ + + VdW CE1 PHE 392 - CB ALA 395 3.20 9 0.16 0.39 ++ + +* ++ + + VdW CZ PHE 392 - HB1 ALA 395 2.60 6 0.10 0.45 + + +* + + VdW CZ PHE 392 - HB2 ALA 395 2.60 8 0.14 0.41 *++ + + +++ VdW CZ PHE 392 - HB3 ALA 395 2.60 6 0.11 0.42 + + + + +* VdW CE2 PHE 392 - CB ALA 395 3.20 11 0.20 0.39 + + ++ * ++ +++ + VdW CD2 PHE 392 - O PHE 392 2.90 11 0.17 0.33 + + ++ + ++ +*+ + VdW CD2 PHE 392 - HB1 ALA 395 2.60 6 0.09 0.36 + + * +++ VdW HD2 PHE 392 - C PHE 392 2.50 9 0.14 0.30 + + ++ + + *+ + VdW HD2 PHE 392 - O PHE 392 2.30 11 0.19 0.37 + + ++ + ++ +*+ + VdW C PHE 392 - N GLY 394 2.95 20 0.38 0.41 ++++++++++++*+++++++ VdW C PHE 392 - H GLY 394 2.45 20 0.41 0.46 ++++++++++++*+++++++ VdW O PHE 392 - C LEU 393 2.80 20 0.27 0.29 +++*++++++++++++++++ VdW O PHE 392 - N GLY 394 2.75 20 0.57 0.63 ++++++++++++*+++++++ VdW O PHE 392 - N ALA 395 2.75 20 0.39 0.43 ++++++++++++++*+++++ VdW O GLY 394 - N LEU 396 2.75 20 0.58 0.61 +++*++++++++++++++++ VdW O GLY 394 - H LEU 396 1.80 16 0.23 0.29 ++ +++++ +++*+++++ VdW O ALA 395 - CG LEU 396 2.90 20 0.24 0.30 *+++++++++++++++++++ VdW O ALA 395 - HG LEU 396 2.30 19 0.26 0.30 *+++++++++++++ +++++ VdW HA LEU 396 - CD PRO 397 2.60 20 0.29 0.30 ++++*+++++++++++++++ VdW HG2 PRO 397 - HG3 GLU 399 2.00 11 0.14 0.27 *+++ ++++ + ++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 17 0.23 0.28 + +++++++ +++*+ ++++ VdW O PRO 397 - CB GLN 401 2.90 20 0.36 0.38 +++++++++++++++++*++ VdW H GLU 399 - CG GLU 399 2.55 11 0.14 0.26 ++++ ++*+ + ++ VdW H ILE 400 - CG1 ILE 400 2.55 19 0.23 0.25 +*+++++++++++++++++ VdW CG1 VAL 404 - C VAL 404 2.90 18 0.25 0.29 +++++++ ++++++++++* VdW HA SER 411 - CD PRO 412 2.60 20 0.28 0.29 +++++++++++*++++++++ VdW O SER 411 - CB ALA 415 2.90 19 0.25 0.33 +++++* +++++++++++++ Angle PSI LEU 45 -52.00 -32.00 13 5.89 12.12 ++ ++ +++ +++*++ Angle PHI ARG 48 -91.00 -61.00 13 4.94 8.67 + + +++* ++++ + ++ Angle PHI HIS 51 -128.00 -90.00 20 10.53 12.47 ++++++++++++++++*+++ Angle PSI HIS 51 99.00 143.00 20 13.26 14.95 +++++*++++++++++++++ Angle PSI TYR 52 120.00 140.00 20 11.44 12.29 ++++*+++++++++++++++ Angle PHI ALA 55 -80.00 -58.00 20 9.30 10.99 +++++++++*++++++++++ Angle PSI THR 56 -15.00 15.00 20 14.67 16.79 ++++++++++++++++++*+ Angle PSI PRO 58 -41.00 -31.00 20 27.48 29.50 ++++++++++++++++++*+ Angle PHI GLN 59 -77.00 -57.00 20 10.05 11.50 ++++*+++++++++++++++ Angle PSI GLU 60 -54.00 -34.00 20 48.08 49.98 +++++*++++++++++++++ Angle PHI ALA 61 -72.00 -52.00 20 26.22 28.11 +++++++++++++++*++++ Angle PHI LEU 62 -71.00 -51.00 20 46.42 47.74 +++++++++++++*++++++ Angle PSI LEU 62 -53.00 -33.00 16 8.34 14.90 ++ ++++++++ ++* +++ Angle PHI ALA 63 -76.00 -56.00 20 21.20 25.27 *+++++++++++++++++++ Angle PSI ALA 63 -48.00 -28.00 20 31.42 35.65 ++++++++++++++++++*+ Angle PHI GLN 64 -78.00 -58.00 20 25.68 30.14 ++++++++++++++++*+++ Angle PHI ARG 66 -76.00 -56.00 20 14.12 18.02 +++*++++++++++++++++ Angle PSI ARG 66 -50.00 -30.00 7 5.45 27.05 + + +++ + * Angle PHI GLU 67 -79.00 -59.00 17 16.28 31.72 +++++++ + ++++*+++ + Angle PHI LEU 68 -74.00 -54.00 6 3.56 11.66 + + ++ + * Angle PHI CYS 69 -76.00 -56.00 16 10.46 18.34 +++*++++++ ++++ ++ Angle PSI CYS 69 -50.00 -30.00 17 9.43 19.61 +++++++ *++++++++ + Angle PHI ARG 70 -73.00 -53.00 20 10.16 18.82 ++++++++++++++++++*+ Angle PSI ARG 70 -51.00 -31.00 20 19.43 23.92 +*++++++++++++++++++ Angle PSI GLN 71 -47.00 -17.00 20 33.12 51.92 ++++++++++++++++++*+ Angle PSI GLU 76 -40.00 -6.00 18 12.35 19.93 +++++*++ ++++++ ++++ Angle PHI SER 79 -113.00 -71.00 11 4.58 9.07 ++ + * ++ + ++ ++ Angle PSI SER 79 155.00 175.00 17 13.49 28.00 ++++++++++++ ++ +*+ Angle PHI LYS 80 -69.00 -49.00 20 27.57 37.32 +++++++++++++*++++++ Angle PSI LYS 80 -48.00 -28.00 15 12.45 24.49 +++ ++++++ +* ++ ++ Angle PSI GLU 81 -50.00 -30.00 14 7.38 13.11 +++ ++ ++* ++++ + + Angle PHI GLN 82 -76.00 -56.00 14 8.19 16.40 ++ ++++++ + +* +++ Angle PHI MET 83 -75.00 -55.00 16 11.13 19.13 ++++ + ++*++++ ++ ++ Angle PSI MET 83 -52.00 -32.00 7 3.71 13.55 ++ + *+ ++ Angle PHI LEU 84 -73.00 -53.00 17 14.71 28.72 +++++++*++ ++++ +++ Angle PSI GLU 85 -54.00 -34.00 9 5.00 13.20 ++ ++ ++ +*+ Angle PHI LEU 86 -74.00 -54.00 9 9.51 32.38 + + +* + + + + + Angle PSI LEU 86 -51.00 -31.00 20 16.53 25.42 +++++++++++++*++++++ Angle PHI LEU 87 -77.00 -57.00 7 3.99 18.14 + ++ * +++ Angle PSI LEU 87 -51.00 -31.00 20 25.74 32.80 *+++++++++++++++++++ Angle PHI VAL 88 -78.00 -58.00 20 40.53 46.09 ++++++++++++++++++*+ Angle PSI VAL 88 -55.00 -35.00 20 17.58 24.32 ++++++++*+++++++++++ Angle PHI LEU 89 -70.00 -50.00 20 14.67 20.70 +++++*++++++++++++++ Angle PSI LEU 89 -57.00 -37.00 20 16.67 26.18 +++++++++*++++++++++ Angle PHI GLU 90 -73.00 -53.00 18 9.71 16.72 ++++*++++ +++ ++++++ Angle PSI GLU 90 -52.00 -32.00 20 23.61 29.39 +*++++++++++++++++++ Angle PSI GLN 91 -46.00 -26.00 20 20.16 30.88 ++++++++++++++++*+++ Angle PHI PHE 92 -74.00 -54.00 20 7.26 10.76 ++++++++++++++++*+++ Angle PSI PHE 92 -55.00 -35.00 20 7.05 9.72 +++++++++*++++++++++ Angle PHI LEU 93 -72.00 -52.00 20 19.61 21.45 ++++++++++++++*+++++ Angle PSI LEU 93 -49.00 -29.00 18 6.86 8.55 *++++++++++++ ++ +++ Angle PHI GLY 94 -80.00 -56.00 20 8.71 13.76 ++++++++++++++++*+++ Angle PSI PRO 97 132.20 154.90 20 16.23 17.38 ++++++++++++++++*+++ Angle PSI PRO 98 -46.00 -28.00 20 17.88 20.99 +++++++++++++*++++++ Angle PSI GLU 99 -47.00 -27.00 20 7.75 10.36 +++++++++++++*++++++ Angle PHI ILE 100 -73.00 -53.00 20 18.65 20.76 ++++++*+++++++++++++ Angle PHI ARG 103 -73.00 -53.00 18 5.74 7.18 +*+++++++++ ++++++ + Angle PSI PRO 112 -44.00 -28.00 20 25.68 28.66 *+++++++++++++++++++ Angle PHI GLU 113 -75.00 -55.00 20 20.36 24.79 ++++++++++++*+++++++ Angle PHI GLU 114 -74.00 -54.00 20 8.17 10.04 ++++*+++++++++++++++ Angle PHI ALA 115 -76.00 -56.00 20 15.04 19.99 +++++*++++++++++++++ Angle PSI LEU 345 -52.00 -32.00 7 3.23 9.52 *+ + +++ + Angle PHI ARG 348 -91.00 -61.00 11 4.95 8.31 +*++ + + + + + + + Angle PHI HIS 351 -128.00 -90.00 20 10.57 12.62 ++++++++++++++++++*+ Angle PSI HIS 351 99.00 143.00 20 13.06 14.31 +++*++++++++++++++++ Angle PSI TYR 352 120.00 140.00 20 11.35 12.24 ++++++++++++++++*+++ Angle PHI ALA 355 -80.00 -58.00 20 9.97 11.32 ++++*+++++++++++++++ Angle PSI THR 356 -15.00 15.00 20 14.72 17.85 +++++*++++++++++++++ Angle PSI PRO 358 -41.00 -31.00 20 27.65 29.55 +++++++++++++*++++++ Angle PHI GLN 359 -77.00 -57.00 20 10.09 11.36 +++*++++++++++++++++ Angle PSI GLU 360 -54.00 -34.00 20 48.22 49.53 ++*+++++++++++++++++ Angle PHI ALA 361 -72.00 -52.00 20 26.27 27.24 +++*++++++++++++++++ Angle PHI LEU 362 -71.00 -51.00 20 46.19 48.13 ++++++*+++++++++++++ Angle PSI LEU 362 -53.00 -33.00 14 7.12 12.27 +++ ++ *+++ +++++ Angle PHI ALA 363 -76.00 -56.00 20 22.53 26.88 *+++++++++++++++++++ Angle PSI ALA 363 -48.00 -28.00 20 30.57 34.25 ++++*+++++++++++++++ Angle PHI GLN 364 -78.00 -58.00 20 27.29 31.80 ++++++++*+++++++++++ Angle PHI ARG 366 -76.00 -56.00 20 13.41 17.42 +++++++++++*++++++++ Angle PSI ARG 366 -50.00 -30.00 7 3.58 11.57 ++ + + +* + Angle PHI GLU 367 -79.00 -59.00 20 20.24 29.47 +++++++++++++*++++++ Angle PHI CYS 369 -76.00 -56.00 20 9.40 16.85 ++++++++++++++++++*+ Angle PSI CYS 369 -50.00 -30.00 20 10.13 15.66 ++++++++*+++++++++++ Angle PHI ARG 370 -73.00 -53.00 20 9.08 13.62 +++++++++++++++*++++ Angle PSI ARG 370 -51.00 -31.00 20 20.87 25.88 ++++++++++++++++*+++ Angle PSI GLN 371 -47.00 -17.00 20 35.79 44.84 +++++++++++++++*++++ Angle PSI GLU 376 -40.00 -6.00 17 11.60 21.21 +++++++ +++ +++ *+++ Angle PHI SER 379 -113.00 -71.00 10 4.44 8.25 + ++* ++++ + + Angle PSI SER 379 155.00 175.00 15 10.57 31.22 ++ + + ++++ ++*++++ Angle PHI LYS 380 -69.00 -49.00 20 28.18 33.43 ++++++++++++++*+++++ Angle PSI LYS 380 -48.00 -28.00 16 12.91 23.77 +++++++ ++*+++ + ++ Angle PSI GLU 381 -50.00 -30.00 12 7.04 21.72 +++++ ++ +++ + * Angle PHI GLN 382 -76.00 -56.00 11 7.01 17.72 ++ + + + + *++++ Angle PHI MET 383 -75.00 -55.00 19 10.99 15.70 ++*++++++++++++ ++++ Angle PSI MET 383 -52.00 -32.00 8 3.98 12.48 + + + + *++ + Angle PHI LEU 384 -73.00 -53.00 19 14.57 27.51 +++++++++ +++++++++* Angle PSI GLU 385 -54.00 -34.00 10 5.87 23.29 ++ ++ + +* +++ Angle PHI LEU 386 -74.00 -54.00 13 12.88 42.56 + + ++++ +++ *++ + Angle PSI LEU 386 -51.00 -31.00 20 17.76 23.63 ++++++++++++++++++*+ Angle PSI LEU 387 -51.00 -31.00 20 27.66 35.21 +++++++++++*++++++++ Angle PHI VAL 388 -78.00 -58.00 20 36.54 45.52 +++*++++++++++++++++ Angle PSI VAL 388 -55.00 -35.00 19 14.43 23.42 ++++++++++++++*+++ + Angle PHI LEU 389 -70.00 -50.00 20 15.21 22.14 +*++++++++++++++++++ Angle PSI LEU 389 -57.00 -37.00 20 16.41 28.97 +*++++++++++++++++++ Angle PHI GLU 390 -73.00 -53.00 20 11.81 16.01 +++++*++++++++++++++ Angle PSI GLU 390 -52.00 -32.00 20 23.70 28.59 ++++++++++*+++++++++ Angle PSI GLN 391 -46.00 -26.00 20 19.74 28.88 ++++++++++++++*+++++ Angle PHI PHE 392 -74.00 -54.00 19 7.47 9.30 + ++++++++++++++++*+ Angle PSI PHE 392 -55.00 -35.00 18 7.04 9.44 +++++++++++ +*+++++ Angle PHI LEU 393 -72.00 -52.00 20 19.65 20.94 +++*++++++++++++++++ Angle PSI LEU 393 -49.00 -29.00 18 6.93 8.63 +++++++++*+++ +++++ Angle PHI GLY 394 -80.00 -56.00 20 8.57 11.15 +++++*++++++++++++++ Angle PSI PRO 397 132.20 154.90 20 16.12 16.63 *+++++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 17.77 19.32 *+++++++++++++++++++ Angle PSI GLU 399 -47.00 -27.00 20 7.35 9.09 +*++++++++++++++++++ Angle PHI ILE 400 -73.00 -53.00 20 19.12 20.71 +++++++++++++*++++++ Angle PHI ARG 403 -73.00 -53.00 18 5.81 7.95 +++++++ *++ ++++++++ Angle PSI PRO 412 -44.00 -28.00 20 25.48 27.93 ++++++++++++++++*+++ Angle PHI GLU 413 -75.00 -55.00 20 21.04 23.63 +++++++++*++++++++++ Angle PHI GLU 414 -74.00 -54.00 20 8.08 9.88 +++++++++++*++++++++ Angle PHI ALA 415 -76.00 -56.00 20 15.79 18.79 ++++++++++++++++*+++ 486 violated distance constraints. 120 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.29 +/- 0.08 A (0.15..0.48 A) Average heavy atom RMSD to mean : 0.77 +/- 0.07 A (0.65..0.93 A)