Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 397.65 388 0.1456 5.41 311 184.5 1.00 83 8.2899 51.22 2 398.16 356 0.1455 5.57 322 186.5 1.01 78 8.1435 40.85 3 398.61 349 0.1475 5.43 328 182.4 1.10 86 8.1061 41.54 4 399.73 386 0.1452 5.54 301 183.0 1.10 73 8.2136 43.27 5 399.99 393 0.1463 5.65 294 187.4 0.97 82 8.4371 43.29 6 401.02 356 0.1464 5.59 284 183.7 1.15 78 7.9505 47.47 7 401.52 376 0.1452 5.36 323 190.3 1.09 78 8.5495 52.81 8 402.77 372 0.1463 5.43 320 190.9 1.19 76 7.9946 43.49 9 403.97 375 0.1464 5.59 307 187.9 1.14 78 7.4757 43.91 10 404.67 383 0.1451 5.37 309 192.8 1.14 80 8.2195 48.42 11 405.92 368 0.1454 5.39 310 191.5 1.08 83 8.3160 48.46 12 407.15 357 0.1477 5.61 299 183.8 1.14 81 7.9320 46.40 13 407.25 382 0.1469 5.28 323 188.6 1.06 75 8.2549 49.78 14 407.68 394 0.1475 5.61 295 188.3 1.09 92 8.5376 44.81 15 407.79 371 0.1450 5.38 334 192.8 1.14 81 8.3961 49.64 16 407.83 357 0.1490 5.77 303 182.2 0.92 72 7.9434 55.10 17 408.73 388 0.1461 5.32 314 190.2 1.19 79 8.0217 45.28 18 408.74 392 0.1477 5.54 337 192.3 1.13 81 8.1027 40.51 19 408.88 375 0.1483 5.78 332 191.7 0.94 84 8.1314 44.04 20 409.15 388 0.1478 5.30 318 187.0 1.01 96 8.9023 54.07 Ave 404.36 375 0.1465 5.50 313 187.9 1.08 81 8.1959 46.72 +/- 3.96 14 0.0012 0.14 14 3.6 0.08 6 0.2893 4.25 Min 397.65 349 0.1450 5.28 284 182.2 0.92 72 7.4757 40.51 Max 409.15 394 0.1490 5.78 337 192.8 1.19 96 8.9023 55.10 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PRO 40 - HD1 TRP 72 4.29 7 0.07 0.21 + + + * + ++ peak 51 Upper H ALA 42 - HB3 TRP 72 5.14 6 0.07 0.24 + * + +++ peak 702 Upper H ALA 43 - QD ARG 46 5.50 8 0.09 0.27 ++ ++ + * + + peak 694 Upper QB ALA 43 - HG3 ARG 44 5.50 10 0.10 0.49 + ++++++ * ++ peak 1824 Upper QB ALA 43 - HG LEU 68 4.81 12 0.20 0.50 + * + + ++++++ ++ peak 1528 Upper QB ALA 43 - H TRP 72 3.80 13 0.12 0.28 * + ++ + +++++ +++ peak 1652 Upper QB ALA 43 - HA TRP 72 3.85 7 0.07 0.27 + ++ + + * + peak 1632 Upper H ARG 44 - HD2 ARG 44 5.50 8 0.09 0.27 + *+++++ + peak 705 Upper HG3 ARG 44 - HZ2 TRP 72 5.12 6 0.09 0.42 + + * ++ + peak 199 Upper H LEU 45 - HG LEU 45 3.94 10 0.12 0.31 *+ + + + ++ + ++ peak 1949 Upper H LEU 45 - QB ARG 46 5.10 7 0.05 0.17 ++ + + + + * peak 684 Upper H ARG 46 - QD2 LEU 68 5.11 10 0.12 0.32 + * +++++ + ++ peak 668 Upper QB ARG 46 - QD2 LEU 68 3.48 11 0.18 0.48 + + ++ + + ++ +* + peak 2505 Upper QD PHE 47 - HB3 LEU 65 4.51 7 0.10 0.45 +* + + + + + peak 302 Upper QE PHE 47 - HG LEU 65 3.76 8 0.22 0.77 *++ ++ +++ peak 317 Upper QE PHE 47 - QG1 VAL 88 4.78 11 0.13 0.38 + + + +*++ ++++ peak 2762 Upper QE PHE 47 - QG2 VAL 88 3.88 12 0.17 0.57 + +++++++ +* ++ peak 316 Upper HZ PHE 47 - H CYS 69 5.50 8 0.10 0.38 + ++++ ++ * peak 86 Upper HA ARG 48 - QD ARG 48 4.14 11 0.13 0.43 + +*+ ++ +++++ peak 1185 Upper QB ARG 48 - H CYS 49 3.83 13 0.10 0.17 + + *++ ++ ++++++ peak 762 Upper H PHE 50 - QD2 LEU 65 4.28 8 0.11 0.44 + + + ++ ++ * peak 779 Upper H PHE 50 - HG2 GLN 91 4.64 7 0.14 1.16 + +* + + + + peak 776 Upper HB3 PHE 50 - QD2 LEU 65 3.85 14 0.18 0.45 + +++++* ++++ ++ + peak 2370 Upper HB3 PHE 50 - QD1 LEU 68 5.50 18 0.32 0.56 ++ ++++++++++*+++++ peak 2498 Upper HB3 PHE 50 - QB ALA 95 4.79 15 0.30 1.22 +++*+ ++ + +++ ++++ peak 2008 Upper QD PHE 50 - QD2 LEU 65 3.94 19 0.28 0.40 ++ ++++++++++*++++++ peak 281 Upper QD PHE 50 - QD1 LEU 68 4.34 18 0.39 1.17 +++*++++++ ++++ ++++ peak 2510 Upper QD PHE 50 - QB ALA 95 3.39 16 0.40 1.15 +++*+ ++ ++ ++++++ + peak 278 Upper QD PHE 50 - QB ALA 395 3.01 20 5.36 5.78 ++++++++++++++++++*+ peak 8165 Upper QE PHE 50 - HA ALA 61 3.61 19 0.48 0.77 ++ *++++++++++++++++ peak 71 Upper QE PHE 50 - QD2 LEU 65 5.15 10 0.13 0.35 ++ +++ +*++ + peak 272 Upper QE PHE 50 - QB ALA 95 3.86 15 0.31 1.04 ++* + ++ ++ ++++++ + peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 3.55 4.01 +++++++++++++++*++++ peak 8164 Upper H HIS 51 - HD2 HIS 51 4.66 18 0.25 0.78 ++++++*++++++++++ + peak 320 Upper HE1 HIS 51 - QG GLU 53 4.59 15 0.13 0.37 + ++++++ +++++ *++ peak 258 Upper H TYR 52 - QB ALA 95 3.69 20 0.89 1.60 +++*++++++++++++++++ peak 1727 Upper HA TYR 52 - QB ALA 95 5.06 20 1.08 1.30 +++++++++++++++*++++ peak 1717 Upper QB TYR 52 - QB ALA 61 4.85 17 0.32 0.59 * ++++++++++++++++ peak 1602 Upper QB TYR 52 - H ALA 95 5.13 20 0.54 0.90 ++++++++++*+++++++++ peak 1114 Upper QB TYR 52 - QB ALA 395 5.50 20 0.95 1.43 +++++++++++++++*++++ peak 8347 Upper QD TYR 52 - QB ALA 95 3.77 10 0.12 0.33 ++++ + + + *+ + peak 246 Upper QD TYR 52 - QD1 LEU 96 4.86 12 0.19 0.56 +++ ++++ ++ *++ peak 251 Upper QD TYR 52 - QD2 LEU 96 4.18 7 0.12 0.58 *++ + + + + peak 252 Upper QD TYR 52 - QD1 ILE 100 4.27 20 0.56 1.00 ++++*+++++++++++++++ peak 3486 Upper QD TYR 52 - HD3 PRO 358 3.20 7 0.37 1.53 + *+ ++ + + peak 40 Upper QD TYR 52 - QB ALA 395 3.67 20 2.35 2.93 +++++++++++++++*++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 0.62 1.10 ++*+++++++++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 0.58 0.81 ++*+++++++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.11 1.24 +++++++*++++++++++++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 15 0.16 0.24 + +++++++++++ ++ * peak 2087 Upper QE TYR 52 - HA GLU 54 3.07 15 0.22 0.41 + +++++* ++++ ++++ peak 49 HD3 PRO 58 - QE TYR 352 Upper QE TYR 52 - QB GLU 54 4.99 15 0.22 0.44 + +++++* ++++ ++++ peak 2193 Upper QE TYR 52 - QG GLU 54 4.65 16 0.18 0.36 + ++++++* ++++ ++++ peak 2190 Upper QE TYR 52 - HA ALA 55 3.96 10 0.09 0.27 + + ++ +++ *++ peak 47 HA ALA 55 - QE TYR 352 Upper QE TYR 52 - QG2 THR 56 5.50 15 0.14 0.31 * ++++++ ++++ ++++ peak 1769 Upper QE TYR 52 - HB2 PRO 58 3.81 20 1.02 1.58 +++++++++++++++++*++ peak 230 Upper QE TYR 52 - HB3 PRO 58 3.38 6 0.08 0.43 + + ++ *+ peak 232 Upper QE TYR 52 - HD2 PRO 58 3.48 13 0.40 0.85 +++ ++ ++++ +*++ peak 48 HD2 PRO 58 - QE TYR 352 Upper QE TYR 52 - QB ALA 95 4.49 10 0.20 0.56 ++*+ + + + ++ + peak 234 Upper QE TYR 52 - QD1 LEU 96 4.85 10 0.12 0.41 ++++ + + +++* peak 239 Upper QE TYR 52 - QB ALA 395 4.32 20 1.60 2.43 *+++++++++++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 0.56 1.19 *+++++++++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.07 1.48 +++++++++++++++*++++ peak 8114 Upper HB3 GLU 53 - H THR 56 5.50 9 0.08 0.19 ++ ++*+ + + + peak 2094 Upper HA GLU 54 - H GLY 57 4.95 12 0.13 0.28 * + ++++ +++ ++ + peak 2185 Upper QG2 THR 56 - HB3 GLU 60 3.51 18 0.75 1.28 ++ ++++++++*+++++++ peak 1767 Upper QG2 THR 56 - HG3 GLU 60 4.18 15 0.51 1.15 ++ +++++ + *++ ++++ peak 1765 Upper QG2 THR 56 - HE21 GLN 64 5.50 17 0.27 0.73 ++ ++++++ +*+++++++ peak 919 Upper QG2 THR 56 - HD3 PRO 358 5.37 20 0.71 1.27 *+++++++++++++++++++ peak 1764 Upper HA PRO 58 - H LEU 62 4.82 20 1.58 1.80 +++++++++++++++++++* peak 875 Upper HA PRO 58 - QE PHE 92 5.50 20 1.11 1.27 ++*+++++++++++++++++ peak 110 Upper HB2 PRO 58 - QE PHE 92 4.20 19 0.23 0.34 ++++++++++++++*+++ + peak 156 Upper HB2 PRO 58 - HZ PHE 92 3.63 20 1.36 1.95 +++*++++++++++++++++ peak 168 Upper HB2 PRO 58 - HB2 LEU 96 4.62 6 0.05 0.20 + *+ +++ peak 3337 HB2 LEU 96 - HG2 GLN 101 Upper HB2 PRO 58 - HB3 LEU 96 5.50 9 0.11 0.34 + +* + + ++++ peak 3333 Upper HB2 PRO 58 - HA ALA 116 5.39 20 0.56 0.75 ++*+++++++++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 116 4.18 20 1.21 1.49 ++++++++++++++++*+++ peak 2132 Upper HB3 PRO 58 - QD PHE 92 3.74 6 0.13 0.59 ++ * + ++ peak 8254 HB3 PRO 58 - H LEU 96 Upper HB3 PRO 58 - QE PHE 92 5.39 19 0.43 0.64 *+++++++++++++++++ + peak 2175 Upper HB3 PRO 58 - QG1 VAL 119 4.93 20 0.60 0.92 +++++++++++++++*++++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.56 14 0.33 0.63 +*++ ++++ +++ ++ + peak 2140 Upper HG2 PRO 58 - HZ PHE 92 4.67 13 0.16 0.44 ++++ ++ * +++++ + peak 169 Upper HG2 PRO 58 - H GLY 357 5.50 15 0.22 0.43 + ++*+++ ++++ ++++ peak 825 Upper HG3 PRO 58 - QD1 ILE 100 3.82 18 1.37 2.07 ++ ++++++++*+++++++ peak 8116 Upper HD2 PRO 58 - QG2 VAL 119 5.50 20 0.93 1.39 ++++++++++++*+++++++ peak 2145 Upper HD3 PRO 58 - QD TYR 352 3.20 17 1.18 2.04 + +++*++++++++++++ peak 40 Upper HD3 PRO 58 - QG2 THR 356 5.37 20 0.83 1.39 +++++++++*++++++++++ peak 1764 Upper H GLN 59 - H LEU 62 4.76 20 0.53 0.76 +++++++++++++++*++++ peak 161 Upper H GLN 59 - HB2 LEU 62 4.88 14 0.27 0.67 + ++ + +++++ +*++ + peak 838 Upper H GLN 59 - QD1 LEU 62 3.96 20 0.86 1.37 +++*++++++++++++++++ peak 8308 Upper H GLN 59 - QG2 VAL 119 5.50 15 0.39 0.90 + +++* +++++++++ + peak 841 Upper HA GLN 59 - HG LEU 62 4.48 6 0.06 0.30 * ++ +++ peak 2291 HA GLN 59 - HG LEU 362 HG LEU 62 - HA PRO 112 Upper HA GLN 59 - QD2 LEU 62 3.39 20 1.31 2.06 *+++++++++++++++++++ peak 8214 Upper HA GLN 59 - QE PHE 92 3.44 20 0.49 0.80 +++++++++++++++++++* peak 111 Upper HA GLN 59 - QB ALA 116 4.94 16 0.64 1.01 + ++++++ ++++++++* peak 2197 Upper QB GLN 59 - HZ PHE 92 3.61 11 0.19 0.95 + ++++ + + ++*+ peak 170 Upper HG3 GLN 59 - H LEU 362 4.45 7 0.25 1.03 + ++ * ++ + peak 880 Upper HG3 GLN 59 - QD2 LEU 362 4.06 13 0.70 1.90 ++*+++++ ++ + + + peak 8211 Upper HE22 GLN 59 - QB ALA 116 3.81 7 0.07 0.30 ++ * + + + + peak 856 Upper HE22 GLN 59 - HB VAL 119 4.66 16 0.34 0.88 +++++ ++ +++++++ +* peak 3966 Upper HE22 GLN 59 - H ASP 120 5.50 20 0.73 1.39 +*++++++++++++++++++ peak 628 Upper H GLU 60 - QB ALA 63 5.50 14 0.15 0.30 + +++++ ++*++ ++ + peak 863 Upper HA GLU 60 - H ALA 63 4.08 7 0.07 0.20 + * ++ +++ peak 389 Upper HA GLU 60 - QB ALA 63 3.27 18 0.46 0.71 + +*+++++++++++++++ peak 2225 Upper HA GLU 60 - H GLN 64 4.20 20 1.16 1.49 ++++++++++++*+++++++ peak 2247 Upper HB2 GLU 60 - HA ALA 61 4.55 14 0.13 0.27 * ++++++ ++++ ++ + peak 2332 Upper HB2 GLU 60 - QB ALA 416 3.12 7 0.15 0.71 +* + + + ++ peak 8137 Upper HG2 GLU 60 - H ALA 417 4.89 11 0.13 0.42 *+ ++ ++ + + +++ peak 1290 Upper HG3 GLU 60 - HA ALA 416 3.77 16 0.52 0.89 ++ ++++++ *+++ ++++ peak 8119 Upper QB ALA 61 - H PHE 92 4.29 20 0.93 1.19 ++++++++++++*+++++++ peak 1166 Upper QB ALA 61 - QB ALA 95 3.71 6 0.07 0.30 * + ++ + + peak 3310 QB ALA 95 - HG LEU 96 Upper QB ALA 61 - QD PHE 392 3.23 20 4.49 4.68 +++++++++++++++*++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 2.86 3.07 +++++++++++++++*++++ peak 8146 Upper H LEU 62 - HG3 GLN 359 4.45 17 0.72 1.11 ++ ++++++ +++++++*+ peak 880 Upper HB3 LEU 62 - H LEU 89 5.34 13 0.22 0.93 ++++++ ++* ++ + + peak 2297 Upper HG LEU 62 - HB3 PRO 112 4.76 6 0.09 0.46 + + * + + + peak 2282 Upper HG LEU 62 - HG3 PRO 112 4.13 20 0.74 1.59 ++*+++++++++++++++++ peak 3779 Upper QD1 LEU 62 - HG2 GLU 113 5.50 20 0.33 0.45 +++++++++++*++++++++ peak 3832 Upper QD1 LEU 62 - QB ALA 116 3.95 15 0.22 0.46 ++ *++ + +++++ + +++ peak 8301 Upper QD1 LEU 62 - H LEU 365 5.50 12 0.19 0.71 +++++ + + ++ * + + peak 2306 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 0.76 1.32 ++*+++++++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 2.32 2.73 +++++++++*++++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 20 0.53 0.71 ++++++++++++++++*+++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 0.97 1.17 ++++++++*+++++++++++ peak 8267 Upper QD2 LEU 62 - HB2 LEU 65 5.50 9 0.12 0.38 + + *+ + + +++ peak 2366 Upper QD2 LEU 62 - QB ARG 66 4.50 14 0.28 0.53 * ++++++ ++++ + ++ peak 8209 Upper QD2 LEU 62 - H LEU 89 5.50 17 0.63 1.04 + ++++++++++++ *+++ peak 1133 Upper QD2 LEU 62 - HA LEU 89 5.50 15 0.33 0.63 + +++++++ ++*+ + ++ peak 3177 Upper QD2 LEU 62 - HA PHE 92 5.50 10 0.12 0.41 + + ++ + + +*++ peak 3228 Upper QD2 LEU 62 - HB2 PHE 92 5.50 16 0.52 0.90 * ++++++++++++ ++ + peak 3238 Upper QD2 LEU 62 - HB3 PRO 112 3.91 12 0.28 0.59 + ++++++ + ++ * + peak 2265 Upper QD2 LEU 62 - HG3 GLN 359 4.06 18 1.19 1.91 +++ ++++++ ++++++++* peak 8211 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 0.68 1.30 ++++++++++*+++++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.65 1.19 ++++++++++++*+++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 6 0.18 0.74 + + + + + * peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 8 0.17 0.70 + *+ + + + + + peak 8266 Upper H ALA 63 - HG3 GLN 359 4.49 15 0.83 1.35 + +++*++ ++++ ++++ peak 896 Upper QB ALA 63 - HE22 GLN 64 4.82 20 0.57 0.80 +++++++*++++++++++++ peak 926 Upper H GLN 64 - HB2 GLN 64 3.19 6 0.05 0.21 * + + + + + peak 909 Upper HA GLN 64 - HE21 GLN 64 5.50 13 0.14 0.27 + ++++ +++*++ + + peak 396 Upper HB3 GLN 64 - QD2 LEU 68 4.82 9 0.10 0.41 + ++ * ++ ++ + peak 2463 QB GLU 67 - QD2 LEU 68 Upper H LEU 65 - HG LEU 65 4.18 6 0.06 0.17 + + + + +* peak 2393 Upper H LEU 65 - QD1 LEU 362 5.50 19 0.37 0.59 ++++++*+++ +++++++++ peak 2306 Upper QD1 LEU 65 - HB2 PHE 92 4.14 15 0.19 0.38 + ++*+++++++++ + + peak 8286 Upper QD1 LEU 65 - QD PHE 92 4.11 19 0.30 0.58 ++ ++++++*++++++++++ peak 8289 Upper QD2 LEU 65 - H GLN 91 5.50 6 0.06 0.26 + + *+++ peak 1153 Upper QD2 LEU 65 - H PHE 92 4.77 9 0.21 0.62 + + +++* + ++ peak 1171 Upper QD2 LEU 65 - HA PHE 92 4.63 13 0.29 0.75 + ++++++ + ++ +*+ peak 3229 Upper H ARG 66 - QG1 VAL 88 3.88 9 0.10 0.23 +++*+ + ++ + peak 945 Upper HA ARG 66 - QG1 VAL 88 4.59 16 0.28 0.55 + +++++++++++ ++*+ peak 3845 Upper QB ARG 66 - QG1 VAL 88 3.76 15 0.25 0.52 + ++++++ ++++ +++* peak 8199 Upper QG ARG 66 - QG1 VAL 88 5.18 7 0.08 0.34 *+ + + ++ + peak 2412 Upper QG ARG 66 - QG2 VAL 88 4.19 8 0.10 0.34 + *+++ + ++ peak 3144 Upper H GLU 67 - HG LEU 68 5.50 7 0.30 1.27 + + * + + ++ peak 2527 Upper H GLU 67 - QD2 LEU 68 5.50 16 0.28 0.69 + + ++*++++++++++ + peak 2531 Upper H GLU 67 - QD1 LEU 84 5.50 9 0.12 0.37 + + +++ +* ++ peak 957 Upper H LEU 68 - QD2 LEU 68 3.78 14 0.19 0.51 + + +++* +++++++ + peak 970 Upper HB2 CYS 69 - QB LEU 84 5.50 13 0.20 0.61 ++ ++++* + ++ + ++ peak 3005 Upper HB3 CYS 69 - H VAL 88 4.45 10 0.14 0.45 + + ++ ++++ + * peak 1116 Upper HB3 CYS 69 - QG2 VAL 88 4.23 13 0.29 0.52 + ++++*+++ ++ ++ peak 2557 Upper HG3 ARG 70 - H ARG 74 5.50 16 0.19 0.53 + +++++ ++++++++ +* peak 2604 Upper HD3 ARG 70 - QD1 LEU 84 5.50 9 0.10 0.31 + + *+ + ++ ++ peak 2567 Upper H GLN 71 - QD1 LEU 84 4.95 8 0.10 0.32 + *+ + ++ ++ peak 277 Upper H TRP 72 - QD2 LEU 73 5.50 18 0.33 0.45 ++++ +++++*++++++++ peak 1341 Upper HB3 TRP 72 - H ARG 74 5.50 10 0.08 0.21 *+ + ++ + + +++ peak 993 Upper HD1 TRP 72 - HB3 LEU 73 5.11 15 0.16 0.28 ++++ +++ +*++++++ peak 224 Upper HE3 TRP 72 - HG LEU 73 4.80 17 0.71 1.29 ++++ ++*+ +++++++++ peak 1934 Upper HE1 TRP 72 - HB3 LEU 73 4.82 12 0.11 0.25 + ++ + +++*++++ peak 260 Upper HZ2 TRP 72 - HG LEU 87 4.92 20 0.53 1.19 ++++++++++*+++++++++ peak 190 Upper HA LEU 73 - QE MET 83 5.02 12 0.12 0.24 ++ ++ +++++*++ peak 2648 Upper HB2 LEU 73 - HD3 PRO 75 5.50 18 0.39 0.51 ++++ *+++++++++++++ peak 2679 Upper HB3 LEU 73 - HD3 PRO 75 5.50 7 0.10 0.53 *+ + ++ ++ peak 2681 Upper HB3 LEU 73 - QE MET 83 4.70 14 0.11 0.19 +++* + ++++ + ++++ peak 1897 Upper HG LEU 73 - QE MET 83 2.70 7 0.22 1.27 + +++ * + + peak 8122 Upper QD1 LEU 73 - H MET 83 5.50 20 0.34 0.62 +++++++++*++++++++++ peak 1073 Upper QD1 LEU 73 - HA MET 83 5.49 14 0.16 0.58 + ++++* +++++ +++ peak 2972 Upper QD1 LEU 73 - HB3 MET 83 4.69 11 0.12 0.24 * ++ + ++++ +++ peak 2963 Upper QD1 LEU 73 - QE MET 83 3.11 13 0.13 0.28 *+++ ++ + ++++ + + peak 1635 Upper QD2 LEU 73 - H LEU 86 5.14 12 0.13 0.33 ++++ + +* +++ ++ peak 1786 Upper H ARG 74 - QG2 VAL 77 5.50 18 0.23 0.41 +++++++++* + +++++++ peak 1739 Upper HD2 PRO 75 - H VAL 77 5.50 20 0.28 0.49 ++++++++++++++++*+++ peak 304 Upper H GLU 76 - QD1 LEU 84 5.50 12 0.18 0.43 + ++ +* +++++ ++ peak 1008 Upper H ARG 78 - HG2 MET 83 5.50 19 0.33 0.49 ++++ ++++*++++++++++ peak 1022 Upper H GLN 82 - QE MET 83 5.50 13 0.13 0.38 + ++ +++* + ++ +++ peak 1646 Upper H MET 83 - HG2 MET 83 3.81 6 0.05 0.22 + + *+ + + peak 1068 Upper HG2 GLU 85 - QG1 VAL 88 4.35 8 0.08 0.24 +++ + + +*+ peak 3031 Upper H LEU 86 - QD2 LEU 87 4.56 6 0.06 0.29 + + ++ + * peak 1097 Upper HA LEU 86 - HB2 LEU 89 4.50 7 0.12 0.66 +++ ++ *+ peak 1888 Upper HB2 LEU 86 - QD2 LEU 87 3.85 6 0.11 0.58 ++ + ++ * peak 3114 Upper HB VAL 88 - H LEU 89 3.24 12 0.53 0.99 + +++++*+ ++ ++ peak 1130 Upper QG1 VAL 88 - HA PRO 112 4.37 6 0.06 0.19 * + ++ + + peak 3743 Upper QG1 VAL 88 - HG3 PRO 112 4.33 6 0.05 0.20 + +++ * + peak 3777 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 0.98 1.32 +++++++++++++++++++* peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.02 1.35 ++++++++*+++++++++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 4.99 6 0.14 0.72 + * + + + + peak 3788 Upper H LEU 89 - HG2 PRO 112 5.50 6 0.13 0.73 + + + * + + peak 3811 Upper HB2 LEU 89 - H GLY 110 5.15 16 0.28 0.69 ++ ++*++++++ +++ ++ peak 1253 Upper QD1 LEU 89 - HD2 PRO 112 5.50 6 0.06 0.27 ++ + * ++ peak 3775 Upper QD2 LEU 89 - QD PHE 92 4.69 6 0.08 0.32 + ++ * + + peak 3200 Upper QD2 LEU 89 - H ALA 116 4.94 13 0.23 0.69 ++++ ++++++* + + peak 979 Upper HA GLN 91 - HA2 GLY 94 4.51 7 0.06 0.22 +++ + ++* peak 3220 Upper HA GLN 91 - H ALA 95 5.50 15 0.24 0.61 +++ +++++ ++++*+ + peak 1860 Upper QD PHE 92 - QD1 LEU 93 4.86 11 0.12 0.30 ++ + + + +++++* peak 3296 Upper QD PHE 92 - QD1 LEU 96 4.38 6 0.08 0.39 + +* ++ + peak 148 Upper QD PHE 92 - QB ALA 361 3.23 20 4.49 4.80 ++++++++++++++++++*+ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.77 1.36 ++++++++++++++++++*+ peak 8215 Upper QE PHE 92 - QD2 LEU 93 3.36 16 0.26 0.53 ++ ++ ++ ++ +++++*++ peak 164 Upper QE PHE 92 - H ALA 361 5.06 14 0.21 0.74 + +++++ ++++ ++*+ peak 130 Upper QE PHE 92 - QB ALA 361 3.18 20 2.85 3.22 ++++++++++++++++++*+ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 10 0.23 0.81 +* ++++ + + ++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 5.50 6 0.13 0.61 + +* + + + peak 182 Upper HZ PHE 92 - QG2 VAL 119 4.22 9 0.13 0.46 + * ++ + + ++ + peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 2.01 2.69 ++++++++++*+++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.33 10 0.20 0.50 + ++*++ ++ + + peak 3357 Upper HA LEU 93 - HG LEU 96 4.53 19 0.84 1.72 ++ ++++++*++++++++++ peak 3330 Upper HA LEU 93 - QD2 LEU 96 5.07 9 0.16 0.66 * + ++++ ++ + peak 3260 Upper HB2 LEU 93 - QD1 LEU 96 4.93 17 0.37 0.65 ++++*++++ ++++ ++++ peak 3258 Upper HB3 LEU 93 - QD1 LEU 96 4.10 12 0.20 0.48 + ++*++++ +++ + peak 3320 Upper HG LEU 93 - QD1 LEU 96 5.48 10 0.21 0.68 + + + + +++ *++ peak 3265 Upper QD2 LEU 93 - QD1 LEU 96 3.62 11 0.16 0.45 + +* ++ ++ + ++ + peak 3318 Upper QD2 LEU 93 - HE22 GLN 105 5.34 7 0.07 0.19 + + ++ ++ * peak 1231 Upper QB ALA 95 - QD PHE 350 3.01 20 4.80 5.54 +++*++++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 3.15 3.72 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 1.04 1.55 +++++++++++*++++++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.61 3.15 +++++++++++*++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.01 2.54 +++++++++++*++++++++ peak 8176 Upper HA LEU 96 - H GLN 101 5.50 7 0.07 0.22 +++ + + * + peak 3367 Upper HB2 LEU 96 - HA GLN 101 3.93 6 0.06 0.17 + + * ++ + peak 3509 Upper HB2 LEU 96 - HG2 GLN 101 4.77 9 0.09 0.30 + ++ *++ +++ peak 4096 Upper HB2 LEU 96 - HE22 GLN 101 5.50 19 0.33 0.61 +++ +++++++++*++++++ peak 1206 Upper HB3 LEU 96 - HA GLN 101 5.47 7 0.06 0.17 + + * + + ++ peak 3335 Upper HB3 LEU 96 - QD TYR 352 5.50 20 0.72 1.16 ++++++++++++++*+++++ peak 8340 Upper QD1 LEU 96 - H GLN 105 5.50 13 0.13 0.27 + ++*+ +++ +++ + + peak 3359 Upper QD2 LEU 96 - HG2 PRO 97 5.50 20 0.34 0.72 +++++++++++++++++++* peak 3411 Upper QD2 LEU 96 - HG3 PRO 97 5.50 9 0.16 0.50 + + ++ ++* + + peak 3410 Upper QD2 LEU 96 - H ILE 100 5.50 9 0.17 0.52 + + ++ ++* + + peak 284 Upper QD2 LEU 96 - QG2 ILE 100 3.23 20 0.59 0.98 +++++++++++++*++++++ peak 3465 Upper QD2 LEU 96 - HE21 GLN 101 5.50 17 0.20 0.37 ++ ++++++++* ++++++ peak 1202 Upper QD2 LEU 96 - QD TYR 352 3.68 20 0.75 0.96 +++++++*++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 0.76 1.06 +++++++++++++++++++* peak 8182 Upper HG2 PRO 97 - QD1 ILE 100 3.39 7 0.06 0.21 + ++ + + *+ peak 2726 Upper HD3 PRO 97 - HB ILE 100 4.49 8 0.06 0.26 + ++++ * + + peak 3378 Upper HB ILE 100 - H GLN 101 3.23 6 0.06 0.23 + + +* ++ peak 1136 Upper QG2 ILE 100 - H VAL 104 5.50 8 0.13 0.49 * + ++ + ++ + peak 1676 Upper QG2 ILE 100 - QB GLU 354 4.38 6 0.07 0.24 + ++++ * peak 1612 QB GLU 399 - QG2 ILE 400 Upper QD1 ILE 100 - QD ARG 123 3.82 6 0.15 0.86 ++ + + + * peak 2729 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.12 1.61 +++++++++++++++*++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.14 1.41 +++++++++++++++*++++ peak 8114 Upper HA ALA 102 - HE22 GLN 105 5.50 15 0.14 0.27 + +++++ ++++ +++ + * peak 497 Upper QB ALA 102 - HE21 GLN 105 5.50 8 0.07 0.17 * +++ ++ + + peak 1223 Upper HA PRO 109 - HG3 GLU 114 5.12 8 0.09 0.28 + ++ + ++ +* peak 3862 Upper HB3 PRO 109 - HB3 SER 111 5.50 7 0.06 0.20 ++++ +* + peak 3739 Upper H GLY 110 - HG2 GLU 114 5.50 11 0.13 0.31 ++ + ++*+++++ peak 1252 Upper H SER 111 - H GLU 114 4.17 8 0.07 0.19 + ++++ * ++ peak 563 Upper H SER 111 - QD1 LEU 118 5.50 8 0.08 0.21 + + *+++ ++ peak 1265 Upper HB2 PRO 112 - H GLU 114 5.50 7 0.13 0.44 * ++ + + + + peak 3807 Upper HB2 PRO 112 - QD1 LEU 362 4.16 20 0.56 0.68 ++++++++++++*+++++++ peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 0.91 1.15 ++++++++++++*+++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 16 0.32 0.65 ++ ++++++ ++++ +++* peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 15 0.35 0.76 + ++++++ *+++ ++++ peak 8268 Upper HA ALA 116 - HG3 GLU 360 3.77 7 0.19 0.79 + ++ + + * + peak 8119 Upper QB ALA 116 - HB2 GLU 360 3.12 13 0.37 0.91 ++ ++ +++ + ++ ++* peak 8137 Upper H ALA 117 - HG2 GLU 360 4.89 7 0.11 0.45 *++ + + ++ peak 1290 Upper HA ALA 117 - HB3 ASP 120 4.38 6 0.05 0.28 + + + + * + peak 3899 Upper QG2 VAL 119 - QD ARG 123 4.49 9 0.11 0.47 +* + +++ + + + peak 1756 Upper HB3 ASP 120 - H LEU 122 5.50 7 0.07 0.24 + + + + * + + peak 1323 Upper HA ARG 123 - QB ALA 355 3.89 12 0.29 0.81 + +++++ +++++ * peak 8150 Upper QB ARG 123 - QB ALA 355 3.54 11 0.29 0.78 +*++++ ++ +++ peak 1709 Upper H ALA 342 - HB3 TRP 372 5.14 14 0.17 0.46 *+ + +++ +++ + ++++ peak 702 Upper QB ALA 343 - HG LEU 368 4.81 8 0.10 0.48 + + + + * ++ + peak 1528 Upper QB ALA 343 - QD2 LEU 368 3.39 6 0.09 0.44 ++ + + *+ peak 2504 Upper QB ALA 343 - H TRP 372 3.80 6 0.06 0.28 * ++ ++ + peak 1652 Upper H ARG 344 - HD2 ARG 344 5.50 7 0.07 0.23 + + ++ * + + peak 705 Upper HA ARG 344 - QE PHE 347 5.23 9 0.12 0.37 + ++ ++ * + ++ peak 1843 Upper HG3 ARG 344 - HZ2 TRP 372 5.12 6 0.07 0.37 + + ++ + * peak 199 Upper HD3 ARG 344 - HZ2 TRP 372 4.06 6 0.07 0.26 ++ + + * + peak 186 Upper H LEU 345 - HG LEU 345 3.94 11 0.11 0.32 * ++ ++ ++++ + + peak 1949 Upper H ARG 346 - QD2 LEU 368 5.11 7 0.10 0.29 ++* + + + + peak 668 Upper QB ARG 346 - QD2 LEU 368 3.48 7 0.09 0.48 + +* ++ + + peak 2505 Upper QD PHE 347 - QD1 LEU 365 4.44 7 0.09 0.33 ++ + * + ++ peak 304 Upper QE PHE 347 - QB ARG 348 5.37 7 0.11 0.48 +* ++ + ++ peak 1994 Upper QE PHE 347 - HG LEU 365 3.76 11 0.32 0.87 * + + +++++++ + peak 317 Upper QE PHE 347 - QG1 VAL 388 4.78 14 0.19 0.40 + + *++++++ + ++ ++ peak 2762 Upper QE PHE 347 - QG2 VAL 388 3.88 12 0.19 0.54 ++*+ ++ ++ ++ + + peak 316 Upper HA ARG 348 - QD ARG 348 4.14 6 0.06 0.30 + + *+ + + peak 1185 Upper H CYS 349 - HA PHE 350 5.06 6 0.08 0.27 *+ + + ++ peak 756 Upper H CYS 349 - HB2 PHE 350 5.41 6 0.08 0.33 *+ + + ++ peak 2026 Upper H PHE 350 - H HIS 351 4.49 6 0.04 0.13 ++ * + ++ peak 143 Upper H PHE 350 - HG2 GLN 391 4.64 15 0.46 1.17 + ++++*+ ++++ ++++ peak 776 Upper HA PHE 350 - QD PHE 350 3.14 7 0.10 0.31 ++ * + + ++ peak 81 Upper HB3 PHE 350 - QD1 LEU 368 5.50 10 0.15 0.54 + ++ + +* + + + + peak 2498 Upper HB3 PHE 350 - QB ALA 395 4.79 18 0.61 1.33 ++++++++ +++*++++++ peak 2008 Upper QD PHE 350 - QD2 LEU 365 3.94 18 0.23 0.41 + *++++ ++++++++++++ peak 281 Upper QD PHE 350 - QD1 LEU 368 4.34 18 0.57 1.40 +++++++ +++++*++ +++ peak 2510 Upper QD PHE 350 - HA PHE 392 5.47 15 0.43 0.86 + ++++*+ ++++ ++++ peak 3240 Upper QD PHE 350 - QB ALA 395 3.39 20 0.68 1.22 +++++*++++++++++++++ peak 278 Upper QE PHE 350 - HA ALA 361 3.61 16 0.42 0.74 + +++++ *++ ++ +++++ peak 71 Upper QE PHE 350 - QD2 LEU 365 5.15 16 0.20 0.41 + ++ ++++*++++++++ peak 272 Upper QE PHE 350 - QB ALA 395 3.86 10 0.30 1.22 +++ +* ++ + + + peak 1723 Upper H HIS 351 - HD2 HIS 351 4.66 16 0.22 0.73 + +*+++ +++ ++ +++++ peak 320 Upper HE1 HIS 351 - QG GLU 353 4.59 10 0.12 0.41 ++++ +* + ++ + peak 258 Upper H TYR 352 - QD TYR 352 3.94 6 0.04 0.15 ++ + * ++ peak 62 Upper H TYR 352 - QB ALA 395 3.69 19 1.11 1.65 ++++++++*++++++ ++++ peak 1727 Upper HA TYR 352 - QB ALA 395 5.06 19 0.95 1.29 ++*++++++++++++ ++++ peak 1717 Upper QB TYR 352 - H ALA 395 5.13 19 0.47 0.96 +++++++++*+++++ ++++ peak 1114 Upper QD TYR 352 - HA GLU 354 4.61 10 0.21 0.57 ++ + +++ +++* peak 2184 Upper QD TYR 352 - QB ALA 355 5.21 10 0.09 0.24 ++ + +++ *+++ peak 247 Upper QD TYR 352 - QB ALA 395 3.77 13 0.14 0.37 * +++ ++ ++ + ++++ peak 246 Upper QD TYR 352 - QD1 ILE 400 4.27 19 0.32 0.88 +++*+++++ ++++++++++ peak 3486 Upper QE TYR 352 - QG GLU 354 4.65 10 0.12 0.61 + ++++ + + + * + peak 2190 Upper QE TYR 352 - HB2 PRO 358 3.81 20 0.80 1.53 ++*+++++++++++++++++ peak 230 Upper QE TYR 352 - QB ALA 395 4.49 16 0.38 0.62 ++ ++++++ +*++ ++++ peak 234 Upper QE TYR 352 - QD1 LEU 396 4.85 16 0.23 0.53 ++ ++++++ +*++ ++++ peak 239 Upper HA GLU 354 - H GLY 357 4.95 8 0.08 0.32 *+++ ++ + + peak 2185 Upper QG2 THR 356 - HB3 GLU 360 3.51 11 0.32 1.06 + ++ + +*+ +++ + peak 1767 Upper QG2 THR 356 - HG3 GLU 360 4.18 6 0.16 0.90 + ++ * + + peak 1765 Upper QG2 THR 356 - HE21 GLN 364 5.50 6 0.10 0.37 * ++ +++ peak 919 Upper HA PRO 358 - H LEU 362 4.82 20 1.53 1.78 ++*+++++++++++++++++ peak 875 Upper HA PRO 358 - QE PHE 392 5.50 20 1.18 1.36 ++++++++++++*+++++++ peak 110 Upper HB2 PRO 358 - QE PHE 392 4.20 18 0.23 0.39 + *++++++++++++ ++++ peak 156 Upper HB2 PRO 358 - HZ PHE 392 3.63 20 1.70 2.06 ++++++++++++*+++++++ peak 168 Upper HB2 PRO 358 - HA ALA 416 5.39 20 0.63 0.91 ++++++++++++*+++++++ peak 8259 Upper HB2 PRO 358 - QB ALA 416 4.18 20 1.01 1.46 ++++++++++*+++++++++ peak 2132 Upper HB3 PRO 358 - QE PHE 392 5.39 19 0.52 0.71 +++++++++++++++ *+++ peak 2175 Upper HB3 PRO 358 - QG1 VAL 419 4.93 20 0.69 0.91 ++++++++++++*+++++++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.56 16 0.44 0.67 ++ ++++++ ++++ +*++ peak 2140 Upper HG2 PRO 358 - HZ PHE 392 4.67 15 0.24 0.57 + ++++++ ++++ +++* peak 169 Upper HG3 PRO 358 - QD1 ILE 400 3.82 14 0.55 1.93 + ++ ++ +*++++++ + peak 8116 Upper HD2 PRO 358 - HE21 GLN 359 5.50 15 0.20 0.44 + ++++++ +++* ++++ peak 846 Upper HD2 PRO 358 - QG2 VAL 419 5.50 20 0.67 1.22 *+++++++++++++++++++ peak 2145 Upper H GLN 359 - H LEU 362 4.76 20 0.64 0.79 ++++++++++++++++*+++ peak 161 Upper H GLN 359 - HB2 LEU 362 5.22 11 0.11 0.28 ++++ + ++ +*++ peak 2295 HB2 LEU 62 - H GLN 359 Upper H GLN 359 - HB2 LEU 362 4.88 18 0.48 0.74 +++++*++++++++ ++++ peak 838 Upper H GLN 359 - QD1 LEU 362 4.22 15 0.52 1.04 + ++++++ ++++ +*++ peak 2305 QD1 LEU 62 - H GLN 359 Upper H GLN 359 - QD1 LEU 362 3.96 20 1.05 1.70 +++++++++++++++++*++ peak 8308 Upper H GLN 359 - QG2 VAL 419 5.50 10 0.17 0.69 + *+ ++++ ++ + peak 841 Upper HA GLN 359 - HG LEU 362 4.48 10 0.12 0.31 + +++++ +* + + peak 2291 HG LEU 62 - HA GLN 359 HG LEU 362 - HA PRO 412 Upper HA GLN 359 - QD2 LEU 362 4.69 8 0.11 0.28 +* ++++ + + peak 2195 HA GLN 59 - QD2 LEU 362 Upper HA GLN 359 - QD2 LEU 362 3.39 20 1.72 2.13 ++++++++++++++++++*+ peak 8214 Upper HA GLN 359 - QE PHE 392 3.44 20 0.32 0.69 ++++++++++*+++++++++ peak 111 Upper HE22 GLN 359 - HB VAL 419 4.66 17 0.27 0.76 + ++++++++++*++ ++ + peak 3966 Upper HE22 GLN 359 - H ASP 420 5.50 20 0.47 0.86 +++*++++++++++++++++ peak 628 Upper H GLU 360 - QB ALA 363 5.50 6 0.09 0.31 * ++ + + + peak 863 Upper HA GLU 360 - QB ALA 363 3.27 15 0.29 0.73 *++++ ++++++ + +++ peak 2225 Upper HA GLU 360 - H GLN 364 4.20 20 1.04 1.47 +++*++++++++++++++++ peak 2247 Upper QB ALA 361 - H PHE 392 4.29 20 0.69 1.14 *+++++++++++++++++++ peak 1166 Upper HB3 LEU 362 - H LEU 389 5.34 16 0.34 1.13 ++ +++++++++* + ++ + peak 2297 Upper HG LEU 362 - HB3 PRO 412 4.76 10 0.11 0.32 ++ ++++ + + +* peak 2282 Upper HG LEU 362 - HG3 PRO 412 4.13 19 0.90 1.68 +++++++++++++++ +++* peak 3779 Upper QD1 LEU 362 - H GLU 413 4.95 9 0.18 0.53 + + ++ + +* + + peak 1274 Upper QD1 LEU 362 - HG2 GLU 413 5.50 19 0.37 0.76 ++++++*+++++ +++++++ peak 3832 Upper QD1 LEU 362 - HG3 GLU 413 5.11 13 0.22 0.50 + ++*+ + ++++ + ++ peak 3835 Upper QD1 LEU 362 - H ALA 416 5.50 10 0.10 0.27 + ++ ++ * ++ + + peak 978 Upper QD1 LEU 362 - QB ALA 416 3.95 19 0.34 0.58 +++++++++++*+++ ++++ peak 8301 Upper QD2 LEU 362 - H LEU 389 5.50 11 0.27 1.02 + ++ ++* + ++++ peak 1133 Upper QD2 LEU 362 - HA LEU 389 5.50 7 0.13 0.67 + ++ + + + * peak 3177 Upper QD2 LEU 362 - HB2 PHE 392 5.50 9 0.17 0.71 + + ++* + + ++ peak 3238 Upper QB ALA 363 - HE22 GLN 364 4.82 20 0.58 0.77 +++++++++++++++++++* peak 926 Upper HB3 LEU 365 - H GLU 367 5.20 6 0.06 0.30 ++ +* + + peak 954 Upper QD1 LEU 365 - H LEU 389 4.63 11 0.13 0.39 ++ +*+++ + + + + peak 1132 Upper QD1 LEU 365 - QD PHE 392 4.11 14 0.18 0.54 + ++++ ++* + ++++ + peak 8289 Upper QD2 LEU 365 - H PHE 392 4.77 12 0.20 0.48 * +++ +++ + + ++ + peak 1171 Upper QD2 LEU 365 - HA PHE 392 4.63 8 0.15 0.62 + *++ + + + + peak 3229 Upper H ARG 366 - QG ARG 366 3.60 6 0.06 0.22 + *+ ++ + peak 942 Upper HA ARG 366 - QG1 VAL 388 4.59 8 0.10 0.33 + ++ +*++ + peak 3845 Upper H GLU 367 - HG LEU 368 5.50 11 0.46 1.11 +*++++ + + + + + peak 2527 Upper H GLU 367 - QD2 LEU 368 5.50 8 0.11 0.61 + +* + ++ + + peak 2531 Upper H GLU 367 - QD1 LEU 384 5.50 11 0.15 0.57 +++ ++ ++ +++* peak 957 Upper HB2 CYS 369 - QB LEU 384 5.50 10 0.17 0.44 ++ + ++++ +*+ peak 3005 Upper HB3 CYS 369 - H VAL 388 4.45 8 0.10 0.37 + + + *+ + + + peak 1116 Upper HB3 CYS 369 - QG2 VAL 388 4.23 11 0.19 0.52 ++ ++ + +* +++ + peak 2557 Upper HG3 ARG 370 - H ARG 374 5.50 17 0.25 0.57 ++ *++++++ ++++++++ peak 2604 Upper HD2 ARG 370 - H ARG 374 5.50 11 0.20 0.56 + + + +++ ++* ++ peak 2606 Upper HD3 ARG 370 - H ARG 374 5.50 8 0.15 0.81 + + + + + *+ + peak 2605 Upper H TRP 372 - QD2 LEU 373 5.50 15 0.28 0.44 +++ + +++++++ ++* + peak 1341 Upper HD1 TRP 372 - HB3 LEU 373 5.11 14 0.14 0.26 +++ + ++++* + +++ + peak 224 Upper HE3 TRP 372 - HG LEU 373 4.80 15 0.58 0.96 +++ + +*+++++ +++ + peak 1934 Upper HE1 TRP 372 - HB3 LEU 373 4.82 11 0.11 0.25 ++ + *+++ + + + + peak 260 Upper HZ2 TRP 372 - HG LEU 387 4.92 19 0.39 0.55 ++++++++++* ++++++++ peak 190 Upper HH2 TRP 372 - HA LEU 387 4.43 8 0.10 0.25 *++ ++ + ++ peak 120 Upper HA LEU 373 - QE MET 383 5.02 10 0.10 0.24 ++ * + ++ + +++ peak 2648 Upper HB2 LEU 373 - HD3 PRO 375 5.50 15 0.35 0.74 +++ + ++++++* +++ + peak 2679 Upper HB3 LEU 373 - HD3 PRO 375 5.50 11 0.18 0.56 * +++ +++ +++ + peak 2681 Upper HB3 LEU 373 - QE MET 383 4.70 10 0.08 0.19 +++ + + + * ++ + peak 1897 Upper HG LEU 373 - QE MET 383 2.70 10 0.31 1.00 ++ ++ *+ + + ++ peak 8122 Upper QD1 LEU 373 - H MET 383 5.50 18 0.28 0.50 +++++* +++++++++++ + peak 1073 Upper QD1 LEU 373 - HA MET 383 5.49 11 0.09 0.22 +++++ ++ +*+ + peak 2972 Upper QD1 LEU 373 - HB3 MET 383 4.69 10 0.10 0.21 ++ + ++ + + *+ + peak 2963 Upper QD1 LEU 373 - QE MET 383 3.11 11 0.13 0.32 + + + ++*+ +++ + peak 1635 Upper QD2 LEU 373 - H LEU 386 5.14 8 0.09 0.32 +++ + * ++ + peak 1786 Upper QD2 LEU 373 - HG LEU 386 4.96 9 0.28 1.17 ++ ++ ++ +* + peak 3066 Upper H ARG 374 - QG2 VAL 377 5.50 19 0.24 0.43 +++++++++++++++*+++ peak 1739 Upper HD2 PRO 375 - H VAL 377 5.50 19 0.25 0.38 ++++++ ++++++++*++++ peak 304 Upper H GLU 376 - QD1 LEU 384 5.50 15 0.18 0.38 ++ +++ +++++ +* +++ peak 1008 Upper H ARG 378 - HG2 MET 383 5.50 18 0.30 0.44 ++++++++++++++ +++* peak 1022 Upper H GLN 382 - QE MET 383 5.50 16 0.15 0.29 *+ ++ +++++++++ +++ peak 1646 Upper HG2 MET 383 - QD2 LEU 387 5.50 6 0.07 0.28 +++ *+ + peak 2961 Upper QB LEU 384 - H LEU 387 4.88 6 0.07 0.29 * + + ++ + peak 3011 Upper QD1 LEU 384 - H LEU 386 5.42 6 0.07 0.22 + + + + + * peak 3023 Upper H GLU 385 - QD2 LEU 386 4.42 6 0.09 0.32 + + + +* + peak 1090 Upper HG2 GLU 385 - QG1 VAL 388 4.35 8 0.08 0.25 + *+ + ++ ++ peak 3031 Upper H LEU 386 - HG LEU 386 3.52 6 0.15 0.92 + + + +* + peak 3075 Upper HA LEU 386 - HB2 LEU 389 4.50 6 0.07 0.29 + + * + ++ peak 1888 Upper HG LEU 386 - H LEU 387 4.46 6 0.12 0.45 + * + ++ + peak 3076 Upper H LEU 387 - QG2 VAL 388 4.23 6 0.06 0.29 + + + + * + peak 1107 Upper HB VAL 388 - H LEU 389 3.24 11 0.49 1.01 + ++ ++ ++ +* + + peak 1130 Upper QG2 VAL 388 - HG2 PRO 412 4.99 9 0.19 0.66 + + ++ +++ +* peak 3788 Upper H LEU 389 - HG2 PRO 412 5.50 10 0.18 0.52 ++ ++*+ + + ++ peak 3811 Upper HB2 LEU 389 - H GLY 410 5.15 14 0.25 0.68 ++ ++ + +*+ + + ++++ peak 1253 Upper QD1 LEU 389 - HD2 PRO 412 5.50 6 0.08 0.35 +* + + ++ peak 3775 Upper QD2 LEU 389 - H ALA 416 4.94 12 0.21 0.78 + + +++ ++ ++ *++ peak 979 Upper HA GLN 391 - H ALA 395 5.50 11 0.13 0.34 + + +++ ++ + + * + peak 1860 Upper QD PHE 392 - HG LEU 393 4.60 6 0.07 0.28 ++* +++ peak 3284 Upper QD PHE 392 - QD1 LEU 393 4.86 14 0.18 0.31 +++++ +* ++++ ++ + peak 3296 Upper QE PHE 392 - QD2 LEU 393 3.36 17 0.28 0.49 + ++++++++ +++* ++++ peak 164 Upper QE PHE 392 - QB ALA 415 3.23 8 0.08 0.31 + +* ++ +++ peak 180 Upper QE PHE 392 - H VAL 419 5.22 15 0.15 0.31 + +++*++ ++++ ++++ peak 582 Upper QE PHE 392 - QG1 VAL 419 3.55 7 0.07 0.19 + + + * +++ peak 163 Upper HZ PHE 392 - QG2 VAL 419 4.22 17 0.30 0.57 ++ ++++++ +*+++++++ peak 181 Upper HA LEU 393 - HG LEU 396 4.53 19 0.73 1.60 + ++++++++*+++++++++ peak 3330 Upper HB2 LEU 393 - QD1 LEU 396 4.93 10 0.17 0.56 * +++ ++ + + ++ peak 3258 Upper HB3 LEU 393 - QD1 LEU 396 4.10 8 0.14 0.42 + + ++ + + +* peak 3320 Upper QD2 LEU 393 - HE22 GLN 405 5.34 9 0.09 0.20 ++ + *+++ + + peak 1231 Upper HA LEU 396 - H GLN 401 5.50 8 0.08 0.23 ++ + ++ + *+ peak 3367 Upper HB2 LEU 396 - HE22 GLN 401 5.50 19 0.35 0.62 +++*+++++++++++ ++++ peak 1206 Upper QD1 LEU 396 - HG13 ILE 400 5.50 9 0.12 0.35 ++ + +++* + + peak 3470 Upper QD1 LEU 396 - H GLN 405 5.50 16 0.17 0.32 ++*++ ++++ ++ +++++ peak 3359 Upper QD2 LEU 396 - HG2 PRO 397 5.50 16 0.24 0.54 +++++++ +*++++++ + peak 3411 Upper QD2 LEU 396 - HG3 PRO 397 5.50 16 0.29 0.51 ++ ++++++++*+ ++++ peak 3410 Upper QD2 LEU 396 - H ILE 400 5.50 12 0.25 0.49 ++ ++ ++*+++ + + peak 284 Upper QD2 LEU 396 - QG2 ILE 400 3.23 20 0.63 0.98 ++*+++++++++++++++++ peak 3465 Upper QD2 LEU 396 - HG13 ILE 400 5.34 9 0.12 0.33 ++ + +*++ + + peak 3471 Upper QD2 LEU 396 - HG2 GLN 401 5.50 6 0.06 0.22 +* ++ + + peak 3505 Upper QD2 LEU 396 - HE21 GLN 401 5.50 15 0.14 0.24 ++*++ ++++ + + ++++ peak 1202 Upper HA PRO 398 - HA GLN 401 5.50 6 0.06 0.20 + + ++ * + peak 3433 Upper HA GLU 399 - QG2 ILE 400 5.50 10 0.13 0.37 ++ +++*++ + + peak 2034 Upper QG2 ILE 400 - H VAL 404 5.50 7 0.11 0.53 * + ++ + ++ peak 1676 Upper QD1 ILE 400 - QD ARG 423 3.82 6 0.06 0.25 + + + + * + peak 2729 Upper HA ALA 402 - HE22 GLN 405 5.50 16 0.14 0.24 +*+ ++ ++ +++++++++ peak 497 Upper HA ALA 402 - H GLY 406 5.10 6 0.06 0.16 +++ + * + peak 522 Upper QB ALA 402 - HE21 GLN 405 5.50 13 0.11 0.20 + +++ ++ ++++ *+ + peak 1223 Upper H GLN 407 - HD3 PRO 409 5.37 14 0.16 0.47 ++ +++ +++++++ *+ peak 529 Upper HA PRO 409 - HG3 GLU 414 5.12 9 0.10 0.36 +*+ + + +++ + peak 3862 Upper HB3 PRO 409 - HB3 SER 411 5.50 6 0.06 0.18 * + + + ++ peak 3739 Upper H GLY 410 - HG2 GLU 414 5.50 9 0.10 0.25 + ++ ++ * + ++ peak 1252 Upper H SER 411 - QD1 LEU 418 5.50 7 0.07 0.19 + + + + + +* peak 1265 Upper HB2 PRO 412 - H GLU 414 5.50 17 0.24 0.43 ++ +++++++++++ +++* peak 3807 Upper H GLU 413 - QB ALA 416 5.32 7 0.10 0.34 +* ++ + + + peak 1271 Upper HA GLU 413 - QB ALA 416 3.60 14 0.20 0.48 + ++++++ +*++ ++ + peak 1623 Upper HA ALA 415 - H LEU 418 3.72 12 0.16 0.36 + + +++* ++ + ++ + peak 586 Upper HA ALA 415 - QD2 LEU 418 3.83 6 0.05 0.19 + + +* + + peak 3937 Upper QB ALA 417 - HB2 ASP 420 4.68 6 0.06 0.27 +* + +++ peak 1490 Upper QG2 VAL 419 - QD ARG 423 4.49 12 0.13 0.35 *+ +++ ++ ++ ++ + peak 1756 Upper HB3 ASP 420 - H LEU 422 5.50 6 0.05 0.17 + + + * + + peak 1323 Upper HA LEU 422 - QD2 LEU 422 2.75 7 0.24 0.75 + ++ * + + + peak 934 VdW O LEU 45 - HB2 CYS 49 2.30 6 0.15 0.30 + + + + + * VdW CG PHE 47 - C PHE 47 2.90 10 0.18 0.24 + + + ++++ ++ * VdW CE2 PHE 47 - HG LEU 65 2.60 7 0.14 0.44 + + +*++ + VdW HA ARG 48 - CG GLN 91 2.60 10 0.18 0.35 + + +++* ++ ++ VdW HA ARG 48 - HG2 GLN 91 2.00 6 0.10 0.44 + + ++ + * VdW HB3 PHE 50 - NE2 GLN 91 2.45 9 0.18 0.42 + + ++ +++ + * VdW CG PHE 50 - CB ALA 61 3.20 15 0.20 0.43 *++++++ ++++ ++++ VdW HD1 PHE 50 - O PRO 58 2.30 7 0.10 0.32 + +* ++ + + VdW CE1 PHE 50 - O GLY 57 2.90 10 0.16 0.43 + +++* ++ +++ VdW HE1 PHE 50 - O GLY 57 2.30 11 0.20 0.50 ++ ++++ ++ +*+ VdW CZ PHE 50 - HB3 GLU 60 2.60 15 0.26 0.64 ++ +++++++ + +*+ ++ VdW HZ PHE 50 - CB GLU 60 2.60 6 0.15 0.32 + * + ++ + VdW HZ PHE 50 - HB3 GLU 60 2.00 14 0.23 0.47 ++ + ++ ++ +++*++ + VdW HZ PHE 50 - CG GLU 60 2.60 15 0.24 0.43 + +*++++ ++++ ++++ VdW HZ PHE 50 - CD GLU 60 2.50 8 0.14 0.34 +++ + * + + + VdW HE2 PHE 50 - O GLY 57 2.30 7 0.13 0.52 ++ +*+ ++ VdW CG HIS 51 - O HIS 51 2.90 15 0.25 0.41 + ++ ++++++++++* + VdW HA TYR 52 - CG2 THR 56 2.60 17 0.32 0.47 + +++++*++++++++++ VdW CB TYR 52 - C GLY 57 3.10 18 0.34 0.47 ++ ++++++*+++++++++ VdW CB TYR 52 - O GLY 57 2.90 14 0.24 0.40 ++ +++ +++++++ + * VdW HB2 TYR 52 - C GLY 57 2.50 18 0.36 0.51 +* ++++++++++++++++ VdW HB2 TYR 52 - O GLY 57 2.30 18 0.30 0.49 ++*++++++ + ++++++++ VdW HB3 TYR 52 - HA PRO 58 2.00 15 0.28 0.50 *+ +++++++ ++++++ VdW CG TYR 52 - C TYR 52 2.90 19 0.23 0.24 *++ ++++++++++++++++ VdW CD1 TYR 52 - HD3 PRO 58 2.60 7 0.11 0.38 * ++ +++ + VdW HD1 TYR 52 - N GLY 57 2.45 8 0.15 0.53 + + + +* +++ VdW CE1 TYR 52 - CD PRO 358 3.20 8 0.13 0.31 * + ++ + ++ + VdW CZ TYR 52 - HA2 GLY 357 2.60 9 0.22 0.62 * ++ ++ + + ++ VdW HD2 TYR 52 - N GLY 57 2.45 6 0.14 0.71 * + + + + + VdW OH TYR 52 - CE2 TYR 352 2.90 11 0.25 0.58 + +*+ ++++ +++ VdW OH TYR 52 - HE2 TYR 352 2.30 11 0.35 0.77 + +++ ++++ +*+ VdW N GLU 53 - CG GLU 53 2.85 7 0.18 0.20 + + + + *++ VdW H GLU 53 - HB THR 56 1.95 19 0.33 0.40 ++ ++++++++++++++*++ VdW O ALA 55 - CG2 VAL 419 2.90 9 0.17 0.37 ++ ++ +* ++ + VdW O THR 56 - O GLY 57 2.60 9 0.21 0.45 * + + + + + + ++ VdW O THR 56 - CD GLU 60 2.80 13 0.22 0.41 + +++++ +++ +*++ VdW CA GLY 57 - HG2 PRO 358 2.60 7 0.11 0.44 + + + + + +* VdW HA2 GLY 57 - CD PRO 58 2.60 20 0.27 0.30 *+++++++++++++++++++ VdW HA2 GLY 57 - CG PRO 358 2.60 11 0.25 0.55 + ++ ++ + ++ +*+ VdW HA2 GLY 57 - HG2 PRO 358 2.00 13 0.21 0.38 + ++++++ * ++ +++ VdW HA3 GLY 57 - NE2 GLN 359 2.45 9 0.17 0.40 ++ +* + ++ ++ VdW HA3 GLY 57 - HE21 GLN 359 1.95 13 0.28 0.57 + ++++++ + ++ *+ + VdW CD PRO 58 - CD PRO 358 3.20 20 0.58 0.67 ++++++++++++++++*+++ VdW CD PRO 58 - CG PRO 358 3.20 6 0.13 0.44 + + * + + + VdW CD PRO 58 - HG2 PRO 358 2.60 6 0.12 0.43 + * + + + + VdW CD PRO 58 - HD2 PRO 358 2.60 16 0.67 0.95 + ++++++ *++++++++ VdW CA PRO 58 - CB ALA 95 3.20 17 0.32 0.56 ++ +++ +++*++++++++ VdW CA PRO 58 - HB1 ALA 95 2.60 6 0.11 0.48 + +* ++ + VdW CA PRO 58 - HB3 ALA 95 2.60 8 0.20 0.90 ++ + + * + ++ VdW CB PRO 58 - CA ALA 95 3.20 6 0.11 0.38 +* + + ++ VdW CB PRO 58 - CB ALA 95 3.20 19 0.72 0.92 ++ ++++*++++++++++++ VdW CB PRO 58 - HB1 ALA 95 2.60 8 0.24 0.82 + +* + ++++ VdW CB PRO 58 - HB2 ALA 95 2.60 10 0.38 1.15 + + +*++ ++ + + VdW CB PRO 58 - HB3 ALA 95 2.60 13 0.45 1.14 + ++ ++*+ + ++ + ++ VdW HB2 PRO 58 - CB ALA 95 2.60 20 0.88 1.19 +++++++*++++++++++++ VdW HB2 PRO 58 - HB1 ALA 95 2.00 9 0.31 1.00 + + +* + ++++ VdW HB2 PRO 58 - HB2 ALA 95 2.00 12 0.41 1.05 + + +*+++ +++ + + VdW HB2 PRO 58 - HB3 ALA 95 2.00 13 0.47 1.05 + ++ ++*+ + ++ + ++ VdW HB3 PRO 58 - O ALA 95 2.30 6 0.16 0.71 *+ + + ++ VdW CG PRO 58 - HA3 GLY 357 2.60 8 0.15 0.53 + ++ +* + ++ VdW CG PRO 58 - HD2 PRO 358 2.60 7 0.13 0.44 + + ++ * + + VdW HG2 PRO 58 - H GLN 59 1.95 12 0.20 0.28 + *+ ++ + +++ ++ + VdW HG3 PRO 58 - CA GLY 357 2.60 15 0.32 0.52 + +*++++ ++++ ++++ VdW HG3 PRO 58 - HA3 GLY 357 2.00 12 0.36 0.89 + ++ +* + ++ ++++ VdW HD2 PRO 58 - CD PRO 358 2.60 10 0.32 0.91 * ++ + + ++ + + + VdW HD2 PRO 58 - CG PRO 358 2.60 7 0.15 0.36 + *+ + + + + VdW HD2 PRO 58 - HG2 PRO 358 2.00 7 0.20 0.63 ++ * + + + + VdW HD2 PRO 58 - H GLN 359 1.95 13 0.21 0.44 +++ ++ ++++ *+++ VdW HD3 PRO 58 - CD PRO 358 2.60 15 0.43 0.68 + ++++++ ++++ *+++ VdW HD3 PRO 58 - HD2 PRO 358 2.00 15 0.71 1.12 + +++*++ ++++ ++++ VdW C PRO 58 - CB ALA 95 3.10 10 0.33 0.72 ++*+ + ++++ + VdW C PRO 58 - HB1 ALA 95 2.50 7 0.21 0.74 + ++ +*+ + VdW C PRO 58 - HB3 ALA 95 2.50 10 0.26 0.85 + +*+ +++ + + + VdW O PRO 58 - CB ALA 95 2.90 7 0.10 0.42 + +* + + ++ VdW N GLN 59 - CD GLN 59 2.95 18 0.25 0.34 +++++++++* +++++++ + VdW N GLN 59 - HB2 GLN 359 2.45 15 0.37 0.68 + ++++++ ++++ ++*+ VdW H GLN 59 - HB2 GLN 359 1.95 15 0.44 0.73 + ++++++ ++++ +++* VdW CA GLN 59 - OE1 GLN 59 2.90 7 0.23 0.54 + *+ +++ + VdW CA GLN 59 - HB2 GLN 359 2.60 9 0.14 0.32 + ++ + + ++ + * VdW CB GLN 59 - CB GLN 359 3.20 15 0.24 0.41 + + ++ +++++++++ *+ VdW CB GLN 59 - HB2 GLN 359 2.60 11 0.19 0.37 + + + +++ ++*+ + VdW HB2 GLN 59 - CB GLN 359 2.60 11 0.23 0.52 ++ + ++++ +++ * VdW HB2 GLN 59 - HB3 GLN 359 2.00 8 0.19 0.60 ++ ++ +* + + VdW HB2 GLN 59 - CD2 LEU 362 2.60 6 0.09 0.30 + + *+ + + VdW CG GLN 59 - CE1 PHE 92 3.20 6 0.16 0.61 ++ + + + * VdW CG GLN 59 - CZ PHE 92 3.20 16 0.27 0.41 ++++*+++ +++ +++ + + VdW CG GLN 59 - CE2 PHE 92 3.20 9 0.23 0.57 * + ++ +++ + + VdW CG GLN 59 - C GLN 359 3.10 14 0.32 0.55 + ++++++ ++++ *+ + VdW CG GLN 59 - N GLU 360 3.05 17 0.33 0.53 + *++++++++++++++ + VdW CG GLN 59 - CA GLU 360 3.20 13 0.19 0.42 +*+++++++ + ++ + VdW CG GLN 59 - HA GLU 360 2.60 12 0.19 0.42 * ++++++ + ++ + + VdW HG2 GLN 59 - C GLN 359 2.50 14 0.48 0.74 + +++*++ ++++ ++ + VdW HG2 GLN 59 - N GLU 360 2.45 14 0.40 0.65 + ++++++ *+++ ++ + VdW HG3 GLN 59 - CE1 PHE 92 2.60 6 0.14 0.51 ++ * + + + VdW HG3 GLN 59 - CZ PHE 92 2.60 6 0.14 0.42 +*++ + + VdW HG3 GLN 59 - CE2 PHE 92 2.60 9 0.19 0.55 * + ++ +++ + + VdW HG3 GLN 59 - HE2 PHE 92 2.00 7 0.12 0.41 + + +* + + + VdW CD GLN 59 - CE1 PHE 92 3.10 14 0.27 0.75 ++ ++++ + + + +++*+ VdW CD GLN 59 - CZ PHE 92 3.10 20 0.62 0.71 +++++++++++*++++++++ VdW CD GLN 59 - CE2 PHE 92 3.10 12 0.25 0.48 ++ + ++ *++++ + + VdW OE1 GLN 59 - CE1 PHE 92 2.90 13 0.22 0.43 * +++ + ++++++++ VdW OE1 GLN 59 - CZ PHE 92 2.90 12 0.25 0.46 +++*+ ++ +++++ VdW OE1 GLN 59 - CE2 PHE 92 2.90 9 0.19 0.51 + +++++*+ + VdW OE1 GLN 59 - CB ALA 95 2.90 11 0.22 0.65 + + ++ + +++ +*+ VdW NE2 GLN 59 - CZ PHE 92 3.05 7 0.16 0.61 + +++ + *+ VdW NE2 GLN 59 - HA GLU 360 2.45 9 0.18 0.54 + ++ ++ + + +* VdW NE2 GLN 59 - CD GLU 360 2.95 7 0.14 0.47 + ++ + * + + VdW HE21 GLN 59 - CA GLU 360 2.55 14 0.28 0.54 * ++++++ ++++ ++ + VdW HE21 GLN 59 - HA GLU 360 1.95 8 0.20 0.67 * ++ ++ + + + VdW O GLN 59 - N LEU 62 2.75 13 0.21 0.29 * ++++ + ++++ + ++ VdW N GLU 60 - CG GLN 359 3.05 19 0.39 0.55 +++ +++++++++++++*++ VdW N GLU 60 - HG2 GLN 359 2.45 7 0.17 0.68 + ++ + + * + VdW N GLU 60 - HG3 GLN 359 2.45 14 0.31 0.53 + ++++++ + *+ ++++ VdW H GLU 60 - CG GLN 359 2.55 14 0.26 0.50 + ++++++ + ++ ++*+ VdW CA GLU 60 - CG GLN 359 3.20 8 0.15 0.31 + + + + + + * + VdW CA GLU 60 - HG3 GLN 359 2.60 14 0.34 0.61 + *+++++ + ++ ++++ VdW HA GLU 60 - HG3 GLN 359 2.00 7 0.13 0.36 + ++ + + + * VdW CG GLU 60 - HB2 ALA 416 2.60 6 0.10 0.37 + ++* + + VdW CG GLU 60 - HB3 ALA 416 2.60 6 0.09 0.36 +* + + ++ VdW C ALA 61 - HG LEU 65 2.50 8 0.16 0.52 +++ ++ ++* VdW O ALA 61 - N LEU 65 2.75 18 0.32 0.45 ++ +++++++++++++*++ VdW O ALA 61 - H LEU 65 1.80 15 0.29 0.42 ++ ++*+++++ +++ ++ VdW O ALA 61 - HG LEU 65 2.30 8 0.16 0.60 *++ ++ +++ VdW HA LEU 62 - CD2 LEU 65 2.60 7 0.13 0.39 * + ++ + + + VdW CD1 LEU 62 - HD2 PHE 92 2.60 6 0.10 0.42 + + ++ *+ VdW CD1 LEU 62 - CD2 LEU 362 3.20 6 0.10 0.30 + +* +++ VdW CD2 LEU 62 - C LEU 62 3.10 14 0.54 1.03 + +++++++*+ ++ + + VdW CD2 LEU 62 - N ALA 63 3.05 14 0.41 0.63 + ++*++++++ ++ + + VdW CD2 LEU 62 - CD1 LEU 362 3.20 7 0.16 0.29 + *++ + + + VdW HD21 LEU 62 - C LEU 62 2.50 7 0.18 0.90 +++ * ++ + VdW HD21 LEU 62 - N ALA 63 2.45 7 0.14 0.54 ++* ++ + + VdW HD22 LEU 62 - C LEU 62 2.50 11 0.25 0.80 + * + +++++ ++ + VdW HD22 LEU 62 - O LEU 62 2.30 6 0.13 1.10 + * +++ + VdW HD22 LEU 62 - N ALA 63 2.45 10 0.21 0.73 + + +++*+ ++ + VdW HD23 LEU 62 - C LEU 62 2.50 7 0.16 0.62 +* +++ + + VdW HD23 LEU 62 - N ALA 63 2.45 9 0.20 0.58 + *+ ++++ + + VdW C ALA 63 - HG2 GLU 413 2.50 7 0.11 0.32 + + ++ ++ * VdW H GLN 64 - CG GLN 64 2.55 19 0.29 0.40 ++++++++++*++++++ ++ VdW HA LEU 65 - CD1 LEU 65 2.60 7 0.11 0.29 + * ++++ + VdW CD2 LEU 65 - HB3 GLN 91 2.60 7 0.14 0.47 + + +*++ + VdW CG TRP 72 - C TRP 72 2.90 17 0.22 0.25 ++++ ++*+++ ++ +++++ VdW CG TRP 72 - N LEU 73 3.05 18 0.30 0.40 ++++ ++*+ ++++++++++ VdW HG LEU 73 - C LEU 73 2.50 17 0.25 0.34 ++++ ++++ +++++++*+ VdW HA ARG 74 - CD PRO 75 2.60 20 0.26 0.29 +++++++++*++++++++++ VdW C ARG 74 - H GLU 76 2.45 20 0.37 0.38 +++++++++++++++*++++ VdW HA PRO 75 - CE MET 83 2.60 17 0.26 0.35 ++++ *++++++++++ ++ VdW O LYS 80 - HB2 LEU 84 2.30 10 0.23 0.45 + + ++* ++ + ++ VdW O LEU 84 - CG1 VAL 88 2.90 7 0.13 0.31 + ++* + + + VdW N VAL 88 - CG1 VAL 88 2.85 11 0.13 0.24 + +*+++++ + ++ VdW H VAL 88 - CG1 VAL 88 2.55 12 0.23 0.42 + +*+++++ ++ ++ VdW CG2 VAL 88 - C VAL 88 2.90 12 0.18 0.32 + +*+++++ ++ ++ VdW O VAL 88 - N PHE 92 2.75 6 0.12 0.32 + +* ++ + VdW HB2 LEU 89 - HA SER 111 2.00 6 0.10 0.38 * + + + + + VdW HG LEU 89 - N GLU 90 2.45 10 0.19 0.42 ++*+ ++ + + ++ VdW HG LEU 89 - N SER 111 2.45 8 0.15 0.43 ++ + +++ *+ VdW CD1 LEU 89 - N GLU 90 3.05 9 0.15 0.42 ++ + + +++* + VdW CD2 LEU 89 - C LEU 89 3.10 9 0.17 0.55 ++ + + +++* + VdW CD GLN 91 - O GLN 91 2.80 13 0.21 0.43 +++ + ++ +++ +++* VdW NE2 GLN 91 - O GLN 91 2.75 10 0.21 0.56 + + ++ + +++ + * VdW O GLN 91 - C PHE 92 2.80 11 0.21 0.29 * + ++ +++ ++++ VdW O GLN 91 - N GLY 94 2.75 11 0.20 0.33 + + ++ +++ +++* VdW CD1 PHE 92 - C PHE 92 3.10 12 0.20 0.45 ++ *+ ++ ++++ + + VdW HD1 PHE 92 - C PHE 92 2.50 9 0.18 0.55 + * ++ + ++ + + VdW CZ PHE 92 - CB ALA 116 3.20 18 0.29 0.39 ++ ++++++*++++++++ + VdW HZ PHE 92 - CB ALA 116 2.60 20 0.39 0.51 +++++++++++++++++*++ VdW HZ PHE 92 - HB1 ALA 116 2.00 7 0.11 0.40 + ++++ + * VdW HZ PHE 92 - HA GLU 360 2.00 6 0.10 0.30 + + + + * + VdW CE2 PHE 92 - CB ALA 363 3.20 6 0.09 0.32 * + + ++ + VdW CD2 PHE 92 - C PHE 92 3.10 8 0.16 0.46 * ++ +++ + + VdW HD2 PHE 92 - C PHE 92 2.50 8 0.16 0.49 + ++ +*+ + + VdW C LEU 93 - H ALA 95 2.45 13 0.25 0.46 + ++++* ++++ +++ VdW HA2 GLY 94 - NE2 GLN 101 2.45 9 0.20 0.28 + +++* +++ + VdW N LEU 96 - HG LEU 96 2.45 10 0.16 0.35 ++ ++++ ++ * + VdW N LEU 96 - CD2 LEU 96 3.05 9 0.18 0.49 + + ++ +++ * + VdW H LEU 96 - CG LEU 96 2.55 9 0.18 0.35 + + +++ + + +* VdW H LEU 96 - CD2 LEU 96 2.55 9 0.26 0.69 * + ++ +++ + + VdW CB LEU 96 - HD2 PRO 97 2.60 13 0.23 0.37 ++ ++++ *+++ +++ VdW HB3 LEU 96 - CD1 ILE 100 2.60 9 0.17 0.41 + ++ ++* ++ + VdW CB PRO 97 - CD PRO 98 3.20 9 0.20 0.34 + + ++ +++ * + VdW CB PRO 97 - HD2 PRO 98 2.60 14 0.29 0.44 + + + + ++ +++++*++ VdW HB2 PRO 97 - CD PRO 98 2.60 9 0.19 0.42 + + ++ +++ * + VdW HB2 PRO 97 - HD2 PRO 98 2.00 17 0.39 0.65 + +++ ++ ++++++++*++ VdW HG2 PRO 97 - CG GLU 99 2.60 12 0.22 0.62 + ++ ++++++ + *+ VdW HD2 PRO 97 - HD11 ILE 100 2.00 6 0.10 0.43 + + ++ + * VdW O PRO 97 - CB GLN 101 2.90 9 0.16 0.31 + ++ + *+ + ++ VdW N ILE 100 - CG1 ILE 100 2.85 9 0.18 0.24 + + * + +++ + + VdW H ILE 100 - CG1 ILE 100 2.55 18 0.28 0.35 ++++++ ++ ++++*+++++ VdW CD1 ILE 100 - O ALA 355 2.90 10 0.19 0.46 + * ++ ++++ ++ VdW CB GLN 101 - HE21 GLN 101 2.55 9 0.19 0.27 ++ + *+++ ++ VdW O PRO 112 - CB ALA 363 2.90 12 0.22 0.40 + +++++ * ++ +++ VdW HA GLU 113 - C ALA 363 2.50 8 0.16 0.42 + *+ + + + ++ VdW CG GLU 113 - O ALA 363 2.90 6 0.13 0.31 * ++ + + + VdW O GLU 114 - HG LEU 118 2.30 11 0.20 0.29 ++++ +++* +++ VdW CB ALA 116 - O GLU 360 2.90 9 0.16 0.32 + + +*++ + ++ VdW H VAL 119 - CG1 VAL 119 2.55 10 0.18 0.40 + ++ + +++ +*+ VdW CG2 VAL 119 - C VAL 119 2.90 11 0.18 0.32 ++*+ + +++ +++ VdW CG2 VAL 119 - N ASP 120 3.05 8 0.20 0.42 + *+++ + + + VdW CG2 VAL 119 - CD GLU 360 3.10 8 0.13 0.40 + *+ + + + + + VdW O LEU 345 - HB2 CYS 349 2.30 6 0.13 0.34 ++ * + + + VdW HA ARG 348 - CD GLN 391 2.50 6 0.12 0.38 + ++ + + * VdW CG PHE 350 - C PHE 350 2.90 6 0.08 0.23 ++ * + ++ VdW CG PHE 350 - CB ALA 361 3.20 9 0.20 0.44 +++ * + + + ++ VdW CD1 PHE 350 - CB ALA 361 3.20 6 0.13 0.47 + *++ + + VdW CE1 PHE 350 - HB3 GLU 360 2.60 8 0.16 0.50 ++*+ ++ ++ VdW HE1 PHE 350 - CB GLU 360 2.60 6 0.13 0.60 +* ++ + + VdW HE1 PHE 350 - HB3 GLU 360 2.00 7 0.20 0.72 +++* + + + VdW CZ PHE 350 - O PRO 358 2.90 8 0.18 0.60 ++ + * + + ++ VdW CZ PHE 350 - HB3 GLU 360 2.60 7 0.19 0.56 + + + * + + + VdW CZ PHE 350 - HA ALA 395 2.60 6 0.10 0.42 ++ * + ++ VdW HZ PHE 350 - HB3 GLU 360 2.00 10 0.13 0.37 + ++ + ++ * + + + VdW CE2 PHE 350 - HB3 GLU 360 2.60 7 0.15 0.61 + ++ +* ++ VdW HE2 PHE 350 - O GLY 357 2.30 6 0.10 0.32 ++ *+ + + VdW CG HIS 351 - O HIS 351 2.90 10 0.23 0.49 +* ++ ++ + ++ + VdW HA TYR 352 - CG2 THR 356 2.60 10 0.23 0.46 + + + +*++ ++ + VdW CB TYR 352 - C GLY 357 3.10 8 0.15 0.47 + ++ + *+ + + VdW CB TYR 352 - O GLY 357 2.90 7 0.16 0.35 ++++ * ++ VdW CB TYR 352 - HA PRO 358 2.60 10 0.21 0.56 +++ + +*++ + + VdW HB2 TYR 352 - C GLY 357 2.50 8 0.18 0.53 + ++ + ++ * + VdW HB2 TYR 352 - O GLY 357 2.30 20 0.40 0.65 +++++++++++++++*++++ VdW HB3 TYR 352 - HA PRO 358 2.00 11 0.20 0.51 + ++ *+ + ++ + + + VdW HB3 TYR 352 - O ALA 395 2.30 8 0.16 0.42 * + ++ + + ++ VdW CG TYR 352 - C TYR 352 2.90 11 0.19 0.24 + ++ ++ ++ + + + * VdW CG TYR 352 - N PRO 358 3.05 10 0.19 0.29 +++++ ++ * + + VdW HD1 TYR 352 - O ALA 395 2.30 6 0.13 0.46 ++* + ++ VdW CZ TYR 352 - HD3 PRO 358 2.60 11 0.20 0.38 +++ + +++* +++ VdW CE2 TYR 352 - HD3 PRO 358 2.60 6 0.12 0.42 + ++ * + + VdW CD2 TYR 352 - N GLY 357 3.05 11 0.25 0.59 + ++* ++++ +++ VdW CD2 TYR 352 - CA GLY 357 3.20 11 0.19 0.43 + +++ +++* +++ VdW CD2 TYR 352 - C GLY 357 3.10 9 0.19 0.53 + + + ++++ +* VdW HD2 TYR 352 - C THR 356 2.50 6 0.11 0.37 * + ++ ++ VdW HD2 TYR 352 - N GLY 357 2.45 13 0.34 0.77 + ++ +++ *+++ +++ VdW H GLU 353 - HB THR 356 1.95 18 0.30 0.43 +++++++++++* +++ +++ VdW CB GLU 353 - H GLU 354 2.55 12 0.21 0.39 * ++ ++ ++++ +++ VdW C ALA 355 - H GLY 357 2.45 8 0.18 0.44 * + + + + +++ VdW CG2 THR 356 - O THR 356 2.90 9 0.21 0.43 * ++ ++ + ++ + VdW O THR 356 - O GLY 357 2.60 12 0.25 0.68 +*++ ++ + + ++ + + VdW HA2 GLY 357 - CD PRO 358 2.60 19 0.27 0.30 + +++++++++*++++++++ VdW O GLY 357 - HB2 GLU 360 2.30 7 0.11 0.41 + + + * + + + VdW CA PRO 358 - CB ALA 395 3.20 14 0.28 0.76 +++++++ +++ + * ++ VdW CA PRO 358 - HB2 ALA 395 2.60 8 0.22 0.75 + +* + + + ++ VdW CA PRO 358 - HB3 ALA 395 2.60 6 0.15 0.59 *+ + ++ + VdW CB PRO 358 - CB ALA 395 3.20 19 0.45 0.90 +++*+++ ++++++++++++ VdW CB PRO 358 - HB1 ALA 395 2.60 7 0.24 0.95 + * + ++++ VdW CB PRO 358 - HB2 ALA 395 2.60 9 0.28 0.75 ++++ + + * ++ VdW CB PRO 358 - HB3 ALA 395 2.60 8 0.28 0.94 * + ++ + ++ + VdW CB PRO 358 - C ALA 395 3.10 10 0.19 0.49 ++ ++ * + ++++ VdW HB2 PRO 358 - CB ALA 395 2.60 19 0.60 1.10 ++*++++++++++++ ++++ VdW HB2 PRO 358 - HB1 ALA 395 2.00 7 0.24 0.94 + + + ++*+ VdW HB2 PRO 358 - HB2 ALA 395 2.00 9 0.28 0.95 ++++ + + * ++ VdW HB2 PRO 358 - HB3 ALA 395 2.00 7 0.32 1.01 + + ++ + + * VdW HG2 PRO 358 - H GLN 359 1.95 14 0.22 0.28 + +++* + ++++ ++++ VdW C PRO 358 - N GLU 360 2.95 8 0.16 0.38 * ++ ++ + ++ VdW C PRO 358 - H GLU 360 2.45 9 0.16 0.41 * ++ ++ + +++ VdW C PRO 358 - CB ALA 395 3.10 17 0.55 0.78 ++ +++*+++++++ ++++ VdW C PRO 358 - HB1 ALA 395 2.50 7 0.23 0.85 + ++ *++ + VdW C PRO 358 - HB2 ALA 395 2.50 9 0.33 0.97 + +* ++ + + ++ VdW C PRO 358 - HB3 ALA 395 2.50 8 0.22 0.78 ++ *+ + + + + VdW O PRO 358 - N GLU 360 2.75 6 0.15 0.58 * + + + ++ VdW O PRO 358 - CB ALA 395 2.90 12 0.22 0.48 + ++ +*+ + ++ +++ VdW N GLN 359 - CD GLN 359 2.95 16 0.26 0.42 +++++++++ ++ ++* ++ VdW N GLN 359 - OE1 GLN 359 2.75 12 0.28 0.56 * +++++ + +++ ++ VdW N GLN 359 - CB ALA 395 3.05 10 0.19 0.45 + +*++ + + ++ + VdW N GLN 359 - HB2 ALA 395 2.45 6 0.10 0.36 * + + + ++ VdW CA GLN 359 - OE1 GLN 359 2.90 15 0.41 0.58 + ++++*+ + +++++++ VdW HA GLN 359 - OE1 GLN 359 2.30 14 0.26 0.50 + ++++++ + ++ +++* VdW CG GLN 359 - CZ PHE 392 3.20 20 0.35 0.79 ++++++++++++*+++++++ VdW HG3 GLN 359 - CZ PHE 392 2.60 11 0.22 0.68 +++ ++ +* ++++ VdW HG3 GLN 359 - HZ PHE 392 2.00 12 0.18 0.34 + + ++++ + ++ *++ VdW CD GLN 359 - CE1 PHE 392 3.10 14 0.26 0.50 ++++ + + *++ +++++ VdW CD GLN 359 - CZ PHE 392 3.10 19 0.53 0.68 ++++++++++++ ++*++++ VdW CD GLN 359 - CE2 PHE 392 3.10 8 0.17 0.43 + +++ + + *+ VdW OE1 GLN 359 - CE1 PHE 392 2.90 12 0.22 0.51 +++ + + + + +++*+ VdW OE1 GLN 359 - CZ PHE 392 2.90 6 0.13 0.29 * + + + + + VdW OE1 GLN 359 - CE2 PHE 392 2.90 8 0.14 0.42 + + * + + + ++ VdW OE1 GLN 359 - CB ALA 395 2.90 10 0.24 0.60 + +++++ + + * + VdW C GLN 359 - N ALA 361 2.95 8 0.18 0.29 + + ++ ++ +* VdW O GLN 359 - N ALA 361 2.75 14 0.20 0.34 + +++++ ++++ ++*+ VdW C ALA 361 - HG LEU 365 2.50 11 0.23 0.55 + + + ++*++++ + VdW O ALA 361 - C LEU 362 2.80 12 0.21 0.33 + ++ + +*++ ++++ VdW O ALA 361 - N ALA 363 2.75 8 0.18 0.38 + +*++ + ++ VdW O ALA 361 - N LEU 365 2.75 11 0.22 0.48 * ++ + ++ + +++ + VdW O ALA 361 - H LEU 365 1.80 11 0.21 0.47 + ++ + +* + +++ + VdW O ALA 361 - HG LEU 365 2.30 11 0.23 0.61 * + + +++++++ + VdW CB LEU 362 - HD2 PHE 392 2.60 6 0.11 0.36 + * + + ++ VdW CD2 LEU 362 - C LEU 362 3.10 10 0.44 1.09 + + +++ + *+++ VdW CD2 LEU 362 - O LEU 362 2.90 7 0.24 0.87 + ++ + * ++ VdW CD2 LEU 362 - N ALA 363 3.05 10 0.25 0.63 + + +++ + +*++ VdW HD23 LEU 362 - C LEU 362 2.50 8 0.26 0.86 + +++ + + *+ VdW HD23 LEU 362 - N ALA 363 2.45 7 0.17 0.75 + + +++ * + VdW H GLN 364 - CG GLN 364 2.55 20 0.32 0.37 ++++++++++++*+++++++ VdW CD1 LEU 365 - HB3 GLN 391 2.60 10 0.20 0.51 * + + +++++ + + VdW CD2 LEU 365 - HB3 GLN 391 2.60 8 0.18 0.53 + +*+ ++ + + VdW CG GLU 367 - C GLU 367 2.90 6 0.16 0.24 + ++++ * VdW CA LEU 368 - CD1 LEU 368 3.00 9 0.11 0.26 + +++ + + + + * VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.11 0.32 * + + + + + VdW HA CYS 369 - HE3 TRP 372 2.00 6 0.13 0.23 + +* + + + VdW SG CYS 369 - N ARG 370 3.25 6 0.16 0.26 + * +++ + VdW CG TRP 372 - C TRP 372 2.90 9 0.20 0.23 ++* + + + + + + VdW CG TRP 372 - N LEU 373 3.05 14 0.23 0.35 ++* + ++++++ +++ + VdW HG LEU 373 - C LEU 373 2.50 14 0.20 0.34 +++ + ++++* + +++ + VdW HA ARG 374 - CD PRO 375 2.60 20 0.25 0.29 +++++++++++++*++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.37 0.38 ++++++++++++++++*+++ VdW HA PRO 375 - CE MET 383 2.60 16 0.29 0.49 +++++ +++++*+ + +++ VdW O LYS 380 - HB2 LEU 384 2.30 9 0.22 0.45 + + +* + ++++ VdW O LEU 384 - CG1 VAL 388 2.90 9 0.16 0.44 + * ++ + ++ + + VdW N VAL 388 - CG1 VAL 388 2.85 10 0.12 0.23 + + +* ++ ++ + + VdW H VAL 388 - CG1 VAL 388 2.55 11 0.21 0.41 + ++ +* ++ ++ + + VdW CG2 VAL 388 - C VAL 388 2.90 11 0.17 0.32 + ++ +* ++ ++ + + VdW O VAL 388 - N PHE 392 2.75 13 0.23 0.34 + + +*++ ++++ +++ VdW HG LEU 389 - N GLU 390 2.45 10 0.18 0.46 * + ++++ + +++ VdW HG LEU 389 - N SER 411 2.45 9 0.16 0.53 ++ + +++ ++ * VdW CD1 LEU 389 - N GLU 390 3.05 7 0.15 0.42 + + +* + + + VdW CD2 LEU 389 - C LEU 389 3.10 8 0.16 0.52 ++ + +* + + + VdW CD GLN 391 - O GLN 391 2.80 9 0.17 0.28 ++ + + + + + * + VdW CD1 PHE 392 - C PHE 392 3.10 11 0.22 0.46 +* + + + + + ++ ++ VdW HD1 PHE 392 - C PHE 392 2.50 10 0.24 0.55 ++ + + + + ++ +* VdW CZ PHE 392 - CB ALA 416 3.20 18 0.26 0.34 + +++++++++ ++++*+++ VdW HZ PHE 392 - CB ALA 416 2.60 20 0.32 0.50 ++*+++++++++++++++++ VdW HZ PHE 392 - HB1 ALA 416 2.00 6 0.11 0.33 + * + + ++ VdW CD2 PHE 392 - C PHE 392 3.10 9 0.18 0.47 + + + + + * + ++ VdW HD2 PHE 392 - C PHE 392 2.50 8 0.19 0.59 + + + + * + ++ VdW HA2 GLY 394 - NE2 GLN 401 2.45 7 0.19 0.26 ++ + * + + + VdW N LEU 396 - HG LEU 396 2.45 7 0.09 0.27 + + ++ * ++ VdW N LEU 396 - CD2 LEU 396 3.05 12 0.23 0.46 *+ ++ ++++++ + + VdW H LEU 396 - CG LEU 396 2.55 13 0.25 0.34 + + ++ +*++++++ + VdW H LEU 396 - CD2 LEU 396 2.55 12 0.38 0.68 ++ *+ ++++++ + + VdW CB LEU 396 - HD2 PRO 397 2.60 9 0.19 0.32 *+++ ++ + ++ VdW CB PRO 397 - CD PRO 398 3.20 12 0.21 0.33 ++ ++ +*++++ + + VdW CB PRO 397 - HD2 PRO 398 2.60 14 0.30 0.43 ++++++ +*++++ + + VdW HB2 PRO 397 - CD PRO 398 2.60 12 0.21 0.39 ++ ++ +*++++ + + VdW HB2 PRO 397 - HD2 PRO 398 2.00 16 0.41 0.63 +++++++ ++*++++ + + VdW HG2 PRO 397 - CG GLU 399 2.60 11 0.19 0.59 + * +++++ + + ++ VdW O PRO 397 - CB GLN 401 2.90 7 0.14 0.27 + *+ ++ ++ VdW N ILE 400 - CG1 ILE 400 2.85 14 0.20 0.24 ++++++ +*++++ + + VdW H ILE 400 - CG1 ILE 400 2.55 19 0.28 0.36 +++*+++++++++++ ++++ VdW HA ARG 408 - CD PRO 409 2.60 6 0.18 0.27 + * + + + + VdW N GLU 413 - HG3 GLU 413 2.45 8 0.20 0.38 + + + *+++ + VdW H GLU 413 - HG3 GLU 413 1.95 15 0.22 0.38 * ++++++ ++++ ++++ VdW O GLU 414 - HG LEU 418 2.30 11 0.20 0.33 *+ +++ + + ++ ++ VdW HG21 VAL 419 - N ASP 420 2.45 6 0.11 0.40 + * + + ++ Angle PSI LEU 45 -52.00 -32.00 9 4.34 9.57 + +++ *++ + + Angle PSI ARG 46 -48.00 -28.00 6 3.66 10.92 +++* + + Angle PHI ARG 48 -91.00 -61.00 12 6.84 14.07 + + ++*+++ ++ ++ Angle PSI ARG 48 -34.00 -4.00 20 21.21 25.54 ++++++*+++++++++++++ Angle PHI CYS 49 -106.00 -66.00 6 2.96 10.56 + * + + + + Angle PSI CYS 49 -51.00 -5.00 18 9.94 16.05 ++ +++++++++++++*++ Angle PSI PHE 50 120.00 140.00 13 6.01 11.56 + + ++ *++++ +++ + Angle PSI HIS 51 99.00 143.00 18 9.49 13.50 +++ ++++++++*++++++ Angle PSI TYR 52 120.00 140.00 12 5.10 10.09 * +++ +++ +++ + + Angle PHI GLU 54 -70.00 -50.00 20 44.72 55.10 +++++++++++++++*++++ Angle PSI GLU 54 -38.00 -16.00 19 14.28 20.16 +* +++++++++++++++++ Angle PHI ALA 55 -80.00 -58.00 20 29.57 32.64 ++++++++++++++*+++++ Angle PSI ALA 55 -50.00 -30.00 19 9.78 15.16 *++++++++++ ++++++++ Angle PHI THR 56 -112.00 -82.00 20 28.39 37.73 +++++++++++*++++++++ Angle PSI PRO 58 -41.00 -31.00 20 19.78 28.40 ++*+++++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 9 5.24 23.68 ++*++ ++ + + Angle PSI GLN 59 -46.00 -26.00 19 15.37 22.04 ++ ++++++++++++++++* Angle PHI GLU 60 -75.00 -55.00 20 14.36 17.39 +++*++++++++++++++++ Angle PHI ALA 61 -72.00 -52.00 17 9.02 14.66 ++ *+++++ +++++++++ Angle PHI LEU 62 -71.00 -51.00 16 8.73 16.74 ++*++++++ + ++++ + + Angle PHI GLN 64 -78.00 -58.00 10 4.29 7.92 ++*++ + + ++ + Angle PSI GLN 64 -51.00 -31.00 17 7.98 14.45 ++ +++++++++++ +++* Angle PHI ARG 66 -76.00 -56.00 9 3.76 8.67 + * + +++ + ++ Angle PHI GLU 67 -79.00 -59.00 19 9.13 15.33 +++ +++++++++++++*++ Angle PSI GLN 71 -47.00 -17.00 14 6.37 9.54 + +*+ + ++++ ++++ + Angle PSI VAL 77 -29.00 -5.00 14 5.32 8.35 * ++ +++++++ ++ ++ Angle PSI SER 79 155.00 175.00 20 8.57 12.28 +++++++++*++++++++++ Angle PHI LYS 80 -69.00 -49.00 11 5.29 8.70 * ++ +++ +++++ Angle PSI LYS 80 -48.00 -28.00 20 12.55 17.01 +++++++++++++*++++++ Angle PSI GLU 81 -50.00 -30.00 20 9.66 13.19 +++++++++*++++++++++ Angle PHI GLN 82 -76.00 -56.00 12 5.48 13.14 + *++ + +++ +++ + Angle PHI MET 83 -75.00 -55.00 12 5.21 8.37 +++ + +++*+ +++ Angle PSI MET 83 -52.00 -32.00 6 2.81 7.49 + + * + + + Angle PHI LEU 84 -73.00 -53.00 20 8.21 11.19 ++++*+++++++++++++++ Angle PHI GLU 85 -75.00 -55.00 6 3.24 7.88 + +*+ + + Angle PSI LEU 87 -51.00 -31.00 6 3.02 7.60 +*++ + + Angle PHI VAL 88 -78.00 -58.00 13 7.22 16.09 + + +++ + +++ +++* Angle PHI GLU 90 -73.00 -53.00 6 4.14 15.65 + *++ ++ Angle PHI GLN 91 -74.00 -54.00 10 5.04 15.50 + *+ + ++++ ++ Angle PHI PHE 92 -74.00 -54.00 19 16.50 23.12 +*+ ++++++++++++++++ Angle PHI LEU 93 -72.00 -52.00 6 4.04 8.66 * ++ + ++ Angle PSI PRO 97 132.20 154.90 20 25.92 33.32 +++++++++++++++++*++ Angle PSI PRO 98 -46.00 -28.00 20 16.62 22.46 +++++++*++++++++++++ Angle PSI GLU 99 -47.00 -27.00 17 6.74 10.68 ++*++++++ ++++ ++++ Angle PHI ILE 100 -73.00 -53.00 20 15.56 19.90 +++++++++++*++++++++ Angle PSI VAL 104 -54.00 -34.00 11 4.99 7.38 + +++ + *+ + ++ + Angle PHI ALA 115 -76.00 -56.00 11 5.99 10.91 + ++ + ++ ++* ++ Angle PSI ALA 115 -49.00 -29.00 9 4.46 11.63 ++ +++ + * + + Angle PSI LEU 345 -52.00 -32.00 9 3.63 9.52 ++ ++ ++ * + + Angle PSI ARG 346 -48.00 -28.00 13 7.30 11.73 ++ +++++ ++ + *++ Angle PHI PHE 347 -74.00 -54.00 8 3.01 7.24 + +* + + +++ Angle PSI PHE 347 -49.00 -29.00 6 3.82 11.83 + +* + + + Angle PHI ARG 348 -91.00 -61.00 9 6.29 14.00 + ++ + ++ + + * Angle PSI ARG 348 -34.00 -4.00 19 18.62 23.86 ++++++++++++*++ ++++ Angle PHI CYS 349 -106.00 -66.00 8 4.08 12.02 + ++ + * +++ Angle PSI CYS 349 -51.00 -5.00 8 4.86 16.13 + ++ ++ + * + Angle PSI PHE 350 120.00 140.00 9 4.66 11.15 + + + ++ + + * + Angle PHI HIS 351 -128.00 -90.00 7 4.31 14.09 +* + + + ++ Angle PSI HIS 351 99.00 143.00 16 7.89 13.78 + +++++++++ *++ ++ + Angle PSI TYR 352 120.00 140.00 12 4.88 10.75 + ++* ++ + +++ ++ Angle PHI GLU 354 -70.00 -50.00 20 40.32 54.07 +++++++++++++++++++* Angle PSI GLU 354 -38.00 -16.00 17 10.46 18.73 + *+++++++++++ ++ ++ Angle PHI ALA 355 -80.00 -58.00 20 28.97 35.58 +++++++++++++++*++++ Angle PSI ALA 355 -50.00 -30.00 16 9.76 17.13 ++++++++ ++++ *+++ Angle PHI THR 356 -112.00 -82.00 20 24.03 32.61 ++++++++++*+++++++++ Angle PSI PRO 358 -41.00 -31.00 20 22.61 37.03 +*++++++++++++++++++ Angle PHI GLN 359 -77.00 -57.00 16 9.67 25.06 *+++++++ + +++ ++++ Angle PSI GLN 359 -46.00 -26.00 15 9.30 22.87 + *+ + ++++++++++ + Angle PHI GLU 360 -75.00 -55.00 20 14.42 20.06 ++++++++++++*+++++++ Angle PSI GLU 360 -54.00 -34.00 10 5.26 16.22 + +++++ + + *+ Angle PHI ALA 361 -72.00 -52.00 12 6.64 14.15 *++++ + +++ + ++ Angle PHI LEU 362 -71.00 -51.00 20 13.58 23.64 ++++++++++++*+++++++ Angle PSI ALA 363 -48.00 -28.00 15 8.83 16.54 + ++++++ ++++ ++*+ Angle PSI GLN 364 -51.00 -31.00 11 5.93 12.80 + ++ ++*++ + ++ Angle PHI GLU 367 -79.00 -59.00 18 8.52 18.54 ++++++++++++*++ +++ Angle PSI GLN 371 -47.00 -17.00 16 7.00 10.60 ++++*+++++ + ++ +++ Angle PSI VAL 377 -29.00 -5.00 8 4.24 6.96 ++* +++ ++ Angle PSI SER 379 155.00 175.00 14 6.22 10.33 ++++++ ++ + ++ ++ * Angle PHI LYS 380 -69.00 -49.00 11 5.03 7.50 +++ + * +++ ++ + Angle PSI LYS 380 -48.00 -28.00 20 12.65 16.02 ++++++++++++++++++*+ Angle PSI GLU 381 -50.00 -30.00 18 9.04 15.08 ++++++*+++++ ++ ++++ Angle PHI GLN 382 -76.00 -56.00 12 5.91 12.48 +++ +* + + ++ ++ + Angle PSI GLN 382 -48.00 -28.00 11 4.96 6.35 + + + ++ *+ ++++ Angle PHI MET 383 -75.00 -55.00 11 6.28 14.99 + +++ ++++*++ Angle PHI LEU 384 -73.00 -53.00 16 7.33 10.41 +*+ +++++++ +++++ + Angle PHI GLU 385 -75.00 -55.00 9 4.17 16.34 + ++ ++ + + + * Angle PSI LEU 387 -51.00 -31.00 6 3.37 8.99 + + + ++ * Angle PHI VAL 388 -78.00 -58.00 13 6.02 9.79 +*+++ ++ + +++ ++ Angle PHI GLU 390 -73.00 -53.00 6 2.82 14.68 +* + + + + Angle PHI GLN 391 -74.00 -54.00 16 7.90 17.92 ++ +++++ ++++++++* Angle PHI PHE 392 -74.00 -54.00 19 11.58 23.99 +++*++++++++++++++ + Angle PSI PRO 397 132.20 154.90 20 26.44 32.59 ++++++++++*+++++++++ Angle PSI PRO 398 -46.00 -28.00 20 17.15 22.09 +++++++++++++++++++* Angle PHI GLU 399 -76.00 -56.00 10 4.34 9.95 +* ++++++ + + Angle PSI GLU 399 -47.00 -27.00 14 5.58 10.73 +*+++ ++ ++ + + +++ Angle PHI ILE 400 -73.00 -53.00 20 14.77 18.80 ++*+++++++++++++++++ Angle PSI VAL 404 -54.00 -34.00 13 4.74 7.83 +*+ +++++++ + + + Angle PSI GLY 406 -40.00 -6.00 10 4.40 9.04 + ++ +*+ ++ ++ Angle PSI PRO 412 -44.00 -28.00 15 8.88 17.75 + ++++++ ++++ +++* Angle PHI GLU 413 -75.00 -55.00 13 5.44 10.71 + ++++ * ++++ + ++ Angle PHI ALA 415 -76.00 -56.00 16 6.82 12.10 ++++ ++ ++ ++++ *+++ Angle PSI ALA 415 -49.00 -29.00 13 5.21 9.98 ++ ++ ++++ * + + ++ Angle PHI ALA 417 -74.00 -54.00 10 4.32 6.96 + +++ ++ + +* + Angle PHI ASP 420 -69.00 -49.00 8 4.24 8.53 + ++ + * ++ + 455 violated distance constraints. 104 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.51 +/- 0.21 A (0.33..1.24 A; 20 structures) Average heavy atom RMSD to mean : 0.91 +/- 0.19 A (0.69..1.62 A; 20 structures)