Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1275.79 430 0.2420 4.55 839 433.8 1.56 94 9.4536 44.20 2 1315.38 408 0.2311 4.53 903 490.7 2.34 8310.0339 44.86 3 1322.45 449 0.2429 4.83 851 455.0 1.34 10810.7310 60.05 4 1325.92 429 0.2433 7.19 834 448.6 1.42 115 9.3874 38.22 5 1337.03 428 0.2477 5.30 869 447.5 1.35 9510.7126 48.11 6 1338.03 431 0.2412 4.46 887 478.9 1.20 10710.5566 44.02 7 1342.79 456 0.2431 4.41 878 469.4 1.35 9210.4159 50.80 8 1344.15 464 0.2430 4.51 911 484.7 1.24 10310.5157 54.07 9 1353.01 462 0.2451 4.98 930 472.6 1.26 9310.6471 49.24 10 1354.44 418 0.2412 4.51 879 471.2 1.49 9910.5522 45.08 11 1355.25 432 0.2314 4.40 945 519.5 1.66 8511.6581 61.31 12 1361.13 440 0.2452 4.38 909 471.0 1.35 9410.5103 48.62 13 1362.90 423 0.2408 7.19 942 498.1 1.51 10910.9878 48.11 14 1367.68 437 0.2411 4.59 890 493.3 1.56 11311.0837 50.18 15 1368.56 426 0.2382 4.66 912 493.3 1.42 10412.9936 90.81 16 1373.03 442 0.2440 4.16 961 495.8 1.29 9510.8294 51.99 17 1374.50 429 0.2435 7.44 889 477.3 1.33 10611.4419 39.53 18 1375.82 454 0.2326 5.00 956 518.9 1.42 10313.8875126.91 19 1383.81 455 0.2469 4.92 914 484.5 1.52 10111.2974 47.91 20 1389.08 463 0.2537 4.59 816 436.4 1.40 8110.3828 58.77 Ave 1351.04 439 0.2419 5.03 896 477.0 1.45 9910.9039 55.14 +/- 26.36 16 0.0053 0.98 40 23.5 0.23 9 1.0168 19.70 Min 1275.79 408 0.2311 4.16 816 433.8 1.20 81 9.3874 38.22 Max 1389.08 464 0.2537 7.44 961 519.5 2.34 11513.8875126.91 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA2 GLY 39 - HG2 PRO 40 4.77 8 0.57 0.74 + + + *+ +++ peak 1502 Upper HA ALA 43 - HB2 LEU 45 3.97 20 0.79 1.02 ++++++++++*+++++++++ peak 1875 Upper QB ALA 43 - HG LEU 68 3.84 10 0.92 1.79 + ++++ +++ * + peak 1528 Upper HG3 ARG 44 - HZ2 TRP 72 4.31 9 0.60 1.47 + + ++ + +++ * peak 199 Upper H LEU 45 - HG LEU 45 3.23 11 0.53 1.39 +* +++ ++++ ++ peak 686 Upper HA LEU 45 - QD PHE 47 4.24 19 1.03 1.46 ++++++++++ +++++++*+ peak 103 Upper QD PHE 47 - QD1 LEU 65 4.18 14 0.81 1.43 + ++++ + ++++* +++ peak 2398 Upper QD PHE 47 - H ARG 70 4.68 19 0.92 1.20 +++++*++++++++ +++++ peak 97 Upper QD PHE 47 - QG2 VAL 88 4.17 15 1.04 2.06 + ++++ + ++ ++* ++++ peak 3165 Upper QE PHE 47 - QD2 LEU 62 5.32 15 0.84 1.48 +*+ ++++++ + +++++ peak 2310 Upper QE PHE 47 - HB2 CYS 69 4.04 12 0.65 1.14 ++++++ *++ +++ peak 312 Upper QE PHE 47 - HB3 CYS 69 3.93 11 0.57 0.76 ++ +*+ + +++ + + peak 311 Upper QE PHE 47 - H GLU 90 4.61 14 0.72 1.24 +* ++++++++ ++ ++ peak 402 Upper HZ PHE 47 - H CYS 69 4.68 18 0.92 1.31 ++++++ +++*+++ +++++ peak 86 Upper HZ PHE 47 - QG1 VAL 88 3.76 12 0.64 1.10 + + ++ +* ++++ + + peak 293 Upper HZ PHE 47 - HB2 PHE 92 4.80 17 1.11 1.71 ++++ +++ +++++*++++ peak 285 Upper HB3 PHE 50 - QB ALA 95 4.79 6 0.36 1.41 + ++* + + peak 2008 Upper QD PHE 50 - HG LEU 65 3.49 8 0.52 1.41 +* ++ + +++ peak 283 Upper QD PHE 50 - QD1 LEU 68 3.16 6 0.42 0.98 * + +++ + peak 279 Upper QD PHE 50 - QB ALA 395 3.01 20 4.02 7.44 ++++++++++++++++*+++ peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 17 1.01 2.93 +++++++ ++*++++++ + peak 60 Upper QE PHE 50 - HG LEU 65 4.06 6 0.48 1.97 +* + +++ peak 270 Upper QE PHE 50 - QD1 LEU 68 3.94 14 0.85 1.40 +* +++++ +++++++ peak 269 Upper QE PHE 50 - HA PHE 92 4.45 9 0.59 3.86 ++ + + *++ + + peak 84 Upper QE PHE 50 - QB ALA 395 3.33 19 2.48 5.53 ++++++++++++++++*++ peak 8164 Upper H HIS 51 - HD2 HIS 51 4.38 18 0.72 0.91 +++ +++++++*+++++++ peak 320 Upper HA HIS 51 - QB ALA 95 3.68 6 0.42 0.88 + + + * + + peak 1718 Upper HB2 HIS 51 - QG GLU 53 4.56 20 0.95 1.21 ++++++++++++*+++++++ peak 2048 Upper HB2 HIS 51 - QB ALA 95 5.20 14 0.77 1.26 *++++++ ++ + + +++ peak 2051 Upper HB3 HIS 51 - QG GLU 53 4.56 7 0.65 2.00 ++ + * ++ + peak 2043 Upper HB3 HIS 51 - QB ALA 95 4.87 18 1.27 1.99 ++++++++++ +*++++++ peak 2046 Upper HE1 HIS 51 - HB3 GLU 53 4.46 7 0.50 1.09 *+ + + + + + peak 260 Upper H TYR 52 - HG LEU 96 5.22 10 0.85 3.09 + + ++ ++* ++ + peak 793 Upper QB TYR 52 - HD3 PRO 97 5.00 6 0.36 1.05 + + + + + * peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 6 0.52 2.19 ++ * +++ peak 8347 Upper QD TYR 52 - QG GLU 54 3.32 19 1.14 1.97 ++++++++++*++++++ ++ peak 243 QD TYR 52 - HG2 PRO 97 Upper QD TYR 52 - HG3 PRO 97 3.56 15 1.02 2.47 ++++ +++++*++++ + peak 245 Upper QD TYR 52 - HD2 PRO 97 3.20 7 0.34 1.60 + + * ++ ++ peak 40 Upper QD TYR 52 - QG2 VAL 119 3.77 9 0.54 1.29 + +++ + * + ++ peak 250 Upper QD TYR 52 - QB ALA 395 3.67 19 1.60 4.12 +++++++ ++++*+++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 3.20 4.32 ++++++*+++++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 19 3.12 4.21 ++++++++*+ +++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 3.08 4.40 ++++++++*+++++++++++ peak 8115 Upper QE TYR 52 - H ALA 61 4.72 14 0.95 2.16 +++* + ++++ +++ ++ peak 871 Upper QE TYR 52 - QB ALA 61 2.93 17 1.80 3.18 +++* +++++++++++++ peak 233 Upper QE TYR 52 - QD PHE 92 4.66 17 1.34 2.19 +++++++ +++ ++++*++ peak 140 Upper QE TYR 52 - QE PHE 92 4.04 6 0.45 1.48 + + + + *+ peak 109 Upper QE TYR 52 - HG12 ILE 100 4.23 7 0.39 1.13 ++ + ++ * + peak 234 Upper QE TYR 52 - QB ALA 395 4.32 19 1.40 3.38 ++++++++++++*+++++ + peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 19 2.33 3.42 ++++++++++++*++++ ++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 19 2.52 3.56 +++++++*+++++++++ ++ peak 8114 Upper H GLU 53 - QB ALA 61 4.32 6 0.42 0.86 + +*+ + + peak 1672 H GLN 59 - QB ALA 61 Upper QG GLU 53 - HA GLU 54 5.18 17 0.78 0.93 ++++ ++ ++ +*+++++++ peak 2085 Upper QG GLU 53 - QB ALA 61 3.58 15 0.85 1.48 + +* ++ ++ ++++++ ++ peak 1607 HB2 GLU 60 - QB ALA 61 Upper QB ALA 55 - H GLY 57 3.84 12 0.63 0.87 ++ ++ ++++ ++ * + peak 826 Upper HB THR 56 - HE22 GLN 64 4.34 19 1.20 1.84 ++++++++++++++++*+ + peak 184 Upper QG2 THR 56 - QB ALA 61 3.54 16 1.02 1.55 +++++++++ *++++ ++ peak 1600 Upper QG2 THR 56 - H LEU 62 5.06 13 0.66 1.13 +*++++ + +++ ++ + peak 1774 QG2 THR 56 - H GLN 64 Upper H GLY 57 - HG3 GLU 60 4.75 11 0.53 1.10 *+ ++ + + ++ + ++ peak 824 Upper HA PRO 58 - H LEU 62 4.82 10 0.79 2.47 + + +++ + + + +* peak 875 Upper HB3 PRO 58 - HE22 GLN 59 3.74 6 0.42 1.48 + + + * ++ peak 8254 Upper HG2 PRO 58 - QB ALA 116 3.50 7 0.36 1.19 ++ + * + ++ peak 1621 Upper HG2 PRO 58 - HB2 ASP 120 3.94 6 0.42 2.20 + * + + ++ peak 1489 Upper HG2 PRO 58 - HB3 ASP 120 3.92 15 0.93 1.73 + ++++ +++ ++++ ++ * peak 1486 Upper HG2 PRO 58 - H GLY 121 4.45 13 0.61 1.06 + *++ + + ++++ +++ peak 1317 HB VAL 119 - H GLY 121 Upper HD2 PRO 58 - HE21 GLN 59 5.07 9 0.64 2.09 ++ * + ++ + ++ peak 846 Upper HD3 PRO 58 - HE21 GLN 59 4.41 6 0.31 1.43 ++ * + + + peak 843 Upper HD3 PRO 58 - HE22 GLN 59 5.10 6 0.36 1.43 + ++ + + * peak 2162 Upper H GLN 59 - HG2 GLN 59 3.43 8 0.47 1.12 + +* + ++ + + peak 835 Upper H GLN 59 - H LEU 62 4.76 8 0.52 0.90 +++++ * + + peak 161 Upper H GLN 59 - HB2 LEU 62 4.88 19 1.22 2.92 +++ +++++++++++*++++ peak 838 Upper H GLN 59 - HG LEU 62 4.91 19 1.81 2.94 ++++*++++++++++++ ++ peak 839 Upper H GLN 59 - QD1 LEU 62 3.96 11 0.73 1.86 +++++ + + +++ * peak 8308 Upper HA GLN 59 - HB3 LEU 62 4.02 12 0.83 1.60 ++ ++++ ++ +++* peak 1873 Upper HA GLN 59 - H ALA 63 4.50 12 0.79 1.70 + + +++ + +++ *++ peak 2216 Upper QB GLN 59 - H LEU 62 4.02 9 0.57 1.19 + + *+ +++ ++ peak 881 Upper QB GLN 59 - QB ALA 116 3.12 18 1.53 2.29 ++++++++++ ++*+++++ peak 8137 Upper HG2 GLN 59 - HE21 GLN 59 3.39 7 0.33 0.70 + ++ + *+ + peak 829 Upper HG2 GLN 59 - H GLU 60 4.31 11 0.61 1.10 +++ +++ +++ * + peak 2224 Upper HG2 GLN 59 - QB ALA 116 4.09 13 1.00 2.08 +++++* ++ + ++ ++ peak 2206 Upper HG3 GLN 59 - H GLU 60 4.14 11 0.57 1.50 + ++ ++++ ++ + * peak 2220 Upper HG3 GLN 59 - QB ALA 116 3.59 10 0.69 2.30 ++ *+ + + ++ ++ peak 1622 Upper HE21 GLN 59 - HA ALA 117 5.01 9 0.61 2.11 ++++ +++ *+ peak 845 Upper HE21 GLN 59 - QB ALA 117 4.41 20 1.68 2.73 +++++++++++++*++++++ peak 849 Upper HE22 GLN 59 - HA ALA 117 4.84 11 0.80 2.33 ++++++ + + *++ peak 868 Upper HE22 GLN 59 - QB ALA 117 4.63 17 1.30 2.16 ++++++++++ +++*+ ++ peak 855 Upper H GLU 60 - HA ALA 61 4.54 19 0.89 1.14 +++++++*+ ++++++++++ peak 2256 Upper H GLU 60 - QB ALA 63 4.44 13 0.89 1.69 +++ +++ ++++ *++ peak 863 Upper HB3 GLU 60 - H ALA 61 3.58 9 0.57 0.86 + ++ + + *++ + peak 2252 Upper HB3 GLU 60 - QB ALA 63 3.65 15 1.08 1.99 +*+++ +++ ++++ +++ peak 2234 Upper HB3 GLU 60 - HE22 GLN 64 4.44 7 0.41 1.01 ++ + + + +* peak 925 Upper HG3 GLU 60 - QB ALA 61 4.09 6 0.47 2.29 +* + ++ + peak 1606 Upper H ALA 61 - QD2 LEU 62 4.38 17 1.25 1.97 ++++++++++++++ *++ peak 8217 Upper H ALA 61 - H ALA 63 3.31 15 0.78 1.36 +++ +*+ ++++++ +++ peak 178 Upper QB ALA 61 - QD2 LEU 62 3.60 10 0.61 1.66 *+ ++ + ++ + ++ peak 8209 Upper QB ALA 61 - HB2 LEU 65 4.12 7 0.49 1.68 ++ + * +++ peak 8142 Upper QB ALA 61 - HZ PHE 92 4.16 6 0.34 1.35 * + + ++ + peak 171 Upper QB ALA 61 - QD PHE 392 3.23 20 3.77 4.73 ++++++++++++*+++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 3.85 4.98 ++++++++*+++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 9 0.56 1.48 + * + + ++++ + peak 884 Upper H LEU 62 - HA ALA 63 4.23 19 1.10 1.46 ++++++++++ +*+++++++ peak 876 Upper H LEU 62 - QB ALA 116 4.82 8 0.40 0.92 + +++ * + + + peak 1661 Upper HB3 LEU 62 - QB ALA 116 3.64 19 2.25 3.51 ++++ +*+++++++++++++ peak 8139 Upper HG LEU 62 - HG3 PRO 112 4.13 14 0.94 2.13 +++*++++ ++++ + + peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 18 1.44 2.30 ++++*+++++ +++++ +++ peak 3840 Upper QD1 LEU 62 - H LEU 65 5.40 19 1.24 1.93 ++++++++++ ++++++*++ peak 2306 Upper QD1 LEU 62 - H GLU 113 4.66 9 0.47 1.03 + *++ + +++ + peak 1274 Upper QD1 LEU 62 - HA GLU 113 3.95 9 0.71 1.88 + +++ * + + ++ peak 3837 Upper QD1 LEU 62 - HG2 GLU 113 4.37 8 0.56 1.37 ++* + + ++ + peak 2276 Upper QD1 LEU 62 - HG3 GLU 113 4.54 13 0.79 1.64 +++ +*+ + + +++++ peak 3835 Upper QD1 LEU 62 - H ALA 115 4.36 20 2.13 3.26 ++++++*+++++++++++++ peak 8310 Upper QD1 LEU 62 - H ALA 116 4.44 11 0.82 1.93 + +*+++ + ++ + + peak 978 Upper QD1 LEU 62 - HA ALA 116 4.63 12 0.80 1.66 + ++*+++ + ++ + + peak 3885 Upper QD1 LEU 62 - H ALA 117 5.09 14 1.25 2.76 ++ +++++ *++++ + + peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 2.01 3.82 ++++++++++*+++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 19 1.79 3.73 ++++++++++*++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 17 1.01 2.31 +++ ++++++*+ + +++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 15 1.12 2.92 ++ ++++ +* ++ +++++ peak 8267 Upper QD2 LEU 62 - H LEU 65 4.60 13 0.74 1.26 *++++++ ++ + + ++ peak 2315 Upper QD2 LEU 62 - QD2 LEU 65 3.81 18 1.14 1.95 +*++++++++ ++++++++ peak 2374 Upper QD2 LEU 62 - H LEU 89 4.25 7 0.48 1.03 +++ ++ +* peak 8218 QD2 LEU 62 - H ALA 116 Upper QD2 LEU 62 - HA LEU 89 3.39 15 0.86 2.00 ++ +++++++++ +*+ + peak 8214 Upper QD2 LEU 62 - H GLN 91 5.15 8 0.57 1.37 +++ ++ +*+ peak 2312 QD2 LEU 62 - H ALA 115 Upper QD2 LEU 62 - H PHE 92 4.60 9 0.55 1.27 +++ ++ ++ *+ peak 2317 Upper QD2 LEU 62 - H LEU 93 5.00 17 1.36 2.37 ++++++++++ +++++*+ peak 1173 Upper QD2 LEU 62 - HG2 GLU 113 4.06 10 0.72 1.83 * ++ ++ ++++ + peak 8211 Upper QD2 LEU 62 - QB ALA 115 4.41 15 1.15 2.34 ++++ +++ +*+ +++++ peak 1678 Upper QD2 LEU 62 - H ALA 116 4.76 17 1.09 2.05 ++ + ++++ +*++++++++ peak 977 Upper QD2 LEU 62 - HA ALA 116 5.29 17 1.20 2.12 ++ ++++++++*++ ++ ++ peak 3886 Upper QD2 LEU 62 - QB ALA 116 3.40 13 0.81 1.60 + + +++++*++ ++ + peak 8208 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 2.85 4.51 +++++++++++++++++++* peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 14 1.21 3.50 ++++ + ++* +++ +++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 19 1.77 3.05 +++++*+++++++++++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.95 18 2.10 3.37 +++ ++++++++++++ +*+ peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 2.18 3.89 ++++++++++++++++++*+ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 20 2.63 3.77 +++++++++++++++++++* peak 8268 Upper QB ALA 63 - HE22 GLN 64 4.82 7 0.37 1.08 + ++ + ++ * peak 926 Upper H GLN 64 - H ARG 66 4.31 14 0.68 1.10 +++ ++ ++ ++++* ++ peak 208 Upper HA GLN 64 - HE21 GLN 64 4.68 9 0.55 0.81 + + + + ++ ++* peak 396 Upper HA GLN 64 - HE22 GLN 64 4.93 13 0.70 1.36 ++++ + +++ +++ + * peak 394 Upper HB3 GLN 64 - H LEU 65 3.60 11 0.59 0.86 ++ + ++ +* ++ + + peak 2348 Upper H LEU 65 - QG2 VAL 88 3.66 13 0.90 2.08 + ++ + ++ ++* ++++ peak 8235 H CYS 69 - QG2 VAL 88 Upper QD2 LEU 65 - H GLN 91 4.71 8 0.38 0.93 + + + *++ + + peak 1153 Upper HA ARG 66 - QD2 LEU 87 4.13 18 1.23 2.01 ++*++++ ++++++++++ + peak 8226 Upper QB ARG 66 - H VAL 88 4.88 8 0.48 1.04 * ++ ++ + + + peak 2448 Upper QB ARG 66 - QG1 VAL 88 3.19 6 0.48 1.48 + + ++ +* peak 3147 Upper QG ARG 66 - HG3 GLU 67 5.00 13 0.64 1.16 ++ ++++ ++ + ++ + * peak 2459 Upper QG ARG 66 - QG1 VAL 88 3.71 8 0.58 1.62 + +++ + + + * peak 8198 Upper QG ARG 66 - QG2 VAL 88 3.52 12 0.63 1.45 + ++ + + ++* ++++ peak 3144 Upper H GLU 67 - QD2 LEU 68 4.55 10 0.69 1.43 + *+ ++ ++++ + peak 956 Upper H GLU 67 - H ARG 70 4.29 15 0.73 1.06 +++ +++*+ ++ + ++ ++ peak 195 Upper HA GLU 67 - H GLN 71 4.35 17 0.86 1.34 +++ ++++++++ + +++*+ peak 2481 Upper QD2 LEU 68 - H CYS 69 3.83 8 0.72 1.19 + ++ * +++ + peak 2535 Upper HA CYS 69 - HB3 LEU 73 4.04 18 0.84 1.28 + +++++ ++++*+++++++ peak 2555 Upper HA CYS 69 - QG2 VAL 88 4.09 11 0.64 1.06 + ++ + + * + ++++ peak 8233 QG2 VAL 88 - HB2 PHE 92 Upper HB2 CYS 69 - HB3 LEU 73 3.85 8 0.42 0.89 + + *++ + + + peak 8276 Upper H ARG 70 - QB LEU 84 4.45 6 0.33 1.03 + + * + + + peak 8249 Upper HG2 ARG 70 - H GLN 71 4.03 16 0.91 1.37 +++ ++ *++++++ ++++ peak 285 Upper HG2 ARG 70 - QD1 LEU 84 3.58 6 0.46 1.13 + + + * ++ peak 2574 Upper HG3 ARG 70 - H GLU 76 4.58 17 0.76 1.09 +++ +*+++++++++ + ++ peak 1009 Upper HD3 ARG 70 - H ARG 74 5.01 8 0.54 1.16 ++ *++ + + + peak 2605 Upper HB2 TRP 72 - H ARG 74 5.23 20 0.94 1.05 *+++++++++++++++++++ peak 2647 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 20 0.86 1.05 ++++++++*+++++++++++ peak 214 Upper HE3 TRP 72 - QD2 LEU 73 4.26 8 0.54 0.96 + +++ + * ++ peak 211 Upper HE1 TRP 72 - HB3 LEU 86 5.01 14 0.76 1.64 +++++ * ++ +++ + ++ peak 255 Upper HE1 TRP 72 - HG LEU 86 4.94 8 0.71 1.64 + +*+ + + + + peak 264 HE1 TRP 72 - HG LEU 87 Upper HE1 TRP 72 - QD1 LEU 86 4.54 11 0.48 1.16 +++ + ++ *+ + ++ peak 260 Upper HZ3 TRP 72 - QD2 LEU 73 4.27 7 0.50 0.87 + + + + + * + peak 218 Upper HZ2 TRP 72 - HA LEU 86 4.79 20 1.44 1.77 +++++++++++++++++++* peak 138 Upper HZ2 TRP 72 - HA LEU 87 4.43 19 0.97 1.49 ++++++++++++++ +++*+ peak 121 Upper H LEU 73 - HD2 PRO 75 4.79 20 1.08 1.72 +++++++++++++++++*++ peak 2707 Upper HB3 LEU 73 - H MET 83 4.93 15 0.74 1.16 +++++++++++ * + + + peak 1075 Upper QD2 LEU 73 - QB LEU 84 4.08 17 0.83 1.28 +++++ * +++ ++++++++ peak 2938 Upper HD3 PRO 75 - HG LEU 84 3.73 8 0.66 1.94 ++ ++ + ++ * peak 2677 Upper H GLU 76 - QD1 LEU 84 5.08 12 0.68 1.17 +++ *+ ++ ++ +++ peak 1008 Upper H VAL 77 - HB3 ARG 78 4.02 13 0.62 0.85 + ++++ +++ *+ ++ + peak 1019 Upper H ARG 78 - HG2 MET 83 4.69 9 0.60 0.91 + ++ +* ++ + + peak 1022 Upper HB3 ARG 78 - H MET 83 3.95 16 0.76 1.08 +++ + ++++++ + +++*+ peak 1077 Upper H SER 79 - H GLN 82 3.98 10 0.56 0.80 *++ + +++ + + + peak 340 Upper H GLU 81 - QE MET 83 4.70 14 0.73 1.39 + ++ ++++++ +*++ + peak 1649 Upper H GLU 81 - QD1 LEU 84 4.55 16 0.76 1.29 ++++ ++ +++++*++ ++ peak 1046 Upper HA GLN 82 - H LEU 86 4.68 6 0.42 0.71 +* ++ + + peak 381 Upper HA MET 83 - QE MET 83 3.56 6 0.55 0.74 + + ++ + * peak 1640 Upper HB2 MET 83 - QB LEU 84 4.10 15 0.67 0.88 + +++ +++++++* +++ peak 3000 Upper H LEU 84 - QD1 LEU 87 4.69 7 0.35 0.85 *+ + + + + + peak 3097 Upper HA LEU 84 - HB2 LEU 87 4.41 11 0.54 1.21 + ++ +*+++ ++ + peak 3131 Upper QB LEU 84 - H LEU 86 3.87 12 0.69 1.10 +++ + ++ + * ++++ peak 3009 Upper QB LEU 84 - QD1 LEU 87 3.12 10 0.53 1.34 +++++ + + + * + peak 3117 Upper QB LEU 84 - HA VAL 88 4.43 14 0.84 1.53 ++++ +++ ++ +++* + peak 3138 Upper QD1 LEU 84 - H LEU 87 4.35 13 0.69 1.04 ++ + +* ++ ++++++ peak 8320 Upper QB GLU 85 - QG1 VAL 88 4.59 6 0.44 1.25 + + * + + + peak 3033 Upper HG2 GLU 85 - QD2 LEU 86 4.35 7 0.36 1.23 + ++ + * + + peak 3031 Upper HA LEU 86 - QD2 LEU 86 2.87 15 0.71 1.17 *++++ + ++++++ ++ + peak 827 Upper HA LEU 86 - H LEU 89 4.40 6 0.52 1.33 + + + +*+ peak 3088 Upper QD2 LEU 86 - HB2 LEU 87 3.72 14 0.99 2.24 + ++ *+ ++ ++ + ++++ peak 3052 Upper H LEU 87 - HA VAL 88 3.93 20 1.03 1.24 ++++++++++++++++*+++ peak 376 Upper HB VAL 88 - H LEU 89 3.24 6 0.35 0.98 + * + ++ + peak 1130 Upper QG1 VAL 88 - H GLN 91 3.97 11 0.76 1.55 +++++ +* +++ + peak 1159 Upper QG1 VAL 88 - HA PRO 112 4.37 10 0.60 1.42 ++ *++ + + +++ peak 3743 Upper QG1 VAL 88 - HG3 PRO 112 3.65 6 0.46 1.44 + ++ +*+ peak 3777 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 3.32 4.55 *+++++++++++++++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 2.69 3.24 +++++++++++++*++++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 3.54 15 1.27 3.06 ++ ++++++ + ++* +++ peak 3149 Upper QG2 VAL 88 - HG3 PRO 112 4.28 16 1.44 2.56 +++ *++ ++ + +++++++ peak 3778 Upper H LEU 89 - HG2 PRO 112 4.02 12 0.76 1.52 + ++ * +++ ++++ + peak 1129 Upper H LEU 89 - HG3 PRO 112 4.67 16 1.07 1.96 +++++++ ++ +*+ ++++ peak 3813 Upper HB2 LEU 89 - HA PRO 112 4.85 8 0.43 1.01 ++ ++ * +++ peak 3741 HA PRO 112 - HG3 GLU 114 Upper QD1 LEU 89 - HA3 GLY 110 4.76 6 0.28 1.24 +++ * + + peak 3715 Upper QD1 LEU 89 - H SER 111 3.73 9 0.63 1.37 ++ +++ + + +* peak 1264 Upper QD2 LEU 89 - QD PHE 92 4.17 11 0.65 1.46 +*+ ++++ + ++ + peak 3200 Upper QD2 LEU 89 - HA PRO 112 3.38 9 0.55 1.68 ++ +++ + + +* peak 3744 Upper QD2 LEU 89 - H ALA 115 3.70 12 0.84 1.78 ++ ++++ + + +* ++ peak 1287 Upper QD2 LEU 89 - QB ALA 115 2.89 12 1.03 2.33 ++ ++*+ + + ++ ++ peak 1680 Upper QD2 LEU 89 - H ALA 116 4.39 17 1.16 1.97 +++++*+++ ++ ++++ ++ peak 979 Upper HA GLN 91 - H ALA 95 5.16 6 0.39 0.95 ++ ++ * + peak 1860 Upper HB2 PHE 92 - H GLY 94 4.63 13 0.73 1.27 ++ +++ +++ ++ ++* peak 437 Upper QD PHE 92 - QB ALA 361 3.23 20 3.76 4.66 ++++++++++++++++*+++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 3.08 4.66 ++++++++++++++*+++++ peak 8215 Upper QE PHE 92 - QD2 LEU 93 3.36 14 0.87 2.37 ++ ++++++ * +++++ peak 164 Upper QE PHE 92 - QB ALA 361 3.18 20 2.78 3.48 ++++*+++++++++++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 2.26 3.53 ++++++++++++++*+++++ peak 8216 Upper HZ PHE 92 - H VAL 119 4.66 16 1.03 1.84 +++ *+++++ + +++ +++ peak 627 Upper HZ PHE 92 - HB VAL 119 4.66 7 0.60 2.41 + *+ + + + + peak 3966 Upper HZ PHE 92 - QG2 VAL 119 3.75 7 0.30 1.11 + * + + +++ peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 3.68 4.54 ++++*+++++++++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 93 3.60 11 0.51 0.81 +++ +++ + ++ +* peak 766 Upper HA LEU 93 - HG LEU 96 4.26 8 0.39 1.09 ++ ++ ++ +* peak 3330 Upper QD1 LEU 93 - H GLY 94 4.17 6 0.38 0.79 *++ + ++ peak 1179 Upper QB ALA 95 - QD PHE 350 3.01 20 4.38 7.19 +++*++++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 3.67 5.42 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 6 0.64 3.15 + ++ + * + peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 19 2.71 3.96 ++++++++++++++++* ++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 19 3.07 4.04 +++++++*++ +++++++++ peak 8176 Upper H LEU 96 - HA GLN 101 4.86 10 0.63 1.09 + +++++*+ ++ peak 462 Upper HA LEU 96 - HG2 PRO 97 3.73 19 0.87 1.14 +*++++++++ +++++++++ peak 3408 Upper HB3 LEU 96 - HE22 GLN 101 4.92 14 0.95 1.69 +++++ *++ ++++ + + peak 1208 Upper HB3 LEU 96 - QD TYR 352 5.50 20 2.55 4.15 +++++++++++++++++++* peak 8340 Upper QD1 LEU 96 - H ILE 100 4.55 7 0.56 0.99 ++ ++ +* + peak 234 Upper QD1 LEU 96 - HG12 ILE 100 4.62 6 0.43 1.10 + + * + ++ peak 3468 Upper QD2 LEU 96 - HG2 PRO 97 4.44 18 1.04 1.50 ++++++++*+ ++++++ ++ peak 1748 Upper QD2 LEU 96 - HG3 PRO 97 5.09 12 0.63 1.08 +++ +*+++ ++ + + peak 3410 Upper QD2 LEU 96 - HD2 PRO 97 3.71 7 0.34 1.00 + +++ +* + peak 1751 Upper QD2 LEU 96 - H ILE 100 4.86 16 0.98 1.45 +*+ ++++++ + ++++ ++ peak 284 Upper QD2 LEU 96 - HB2 GLN 101 5.39 18 1.01 1.44 ++ +++++++++ +++*+++ peak 4060 Upper QD2 LEU 96 - HB3 GLN 101 5.44 19 0.93 1.30 ++++*+++++ +++++++++ peak 4064 Upper QD2 LEU 96 - QD TYR 352 3.68 19 1.77 2.64 ++++++++++++++++* ++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 19 2.19 2.95 *++++++++++++++++ ++ peak 8182 Upper HB2 PRO 97 - HB ILE 100 4.10 10 0.63 1.38 ++ ++ ++ + +*+ peak 3393 Upper HB2 PRO 97 - QD1 ILE 100 4.17 10 0.53 1.21 + ++++ +* + + + peak 3396 Upper HB3 PRO 97 - HG12 ILE 100 3.63 11 0.76 1.74 ++ +++ * + + +++ peak 3476 QB GLU 99 - HG12 ILE 100 Upper HA PRO 98 - HE22 GLN 101 4.80 8 0.54 1.36 + ++ + *+++ peak 478 Upper HA GLU 99 - QD1 ILE 100 4.54 20 1.70 1.93 +++++++++++++++++++* peak 2034 Upper QB GLU 99 - QD1 ILE 100 3.24 20 1.41 1.90 +++++++++++++++++++* peak 2725 Upper QG GLU 99 - QG2 ILE 100 4.03 16 0.73 0.91 *++ +++++ +++++ +++ peak 1613 Upper H ILE 100 - HB2 GLN 101 4.07 8 0.38 1.12 *+ + +++ + + peak 3532 HB2 GLN 101 - H ARG 103 Upper HG12 ILE 100 - QG1 VAL 119 3.90 11 1.03 2.18 ++ ++ + +++* + + peak 3953 Upper QD1 ILE 100 - QB ARG 123 3.34 6 0.48 1.00 +* ++ + + peak 4039 QD2 LEU 122 - QB ARG 123 Upper QD1 ILE 100 - QD TYR 352 4.09 20 2.38 4.24 ++++*+++++++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 2.75 4.30 ++++*+++++++++++++++ peak 8114 Upper HA GLN 101 - HE22 GLN 101 4.97 14 0.71 1.28 ++*++ +++ +++ + + + peak 477 Upper HG3 GLN 101 - QB ALA 102 4.48 20 1.20 1.55 +++++++*++++++++++++ peak 4091 Upper QB ALA 102 - QG GLN 105 3.94 10 0.61 0.92 +* +++++ + ++ peak 4097 Upper H VAL 104 - HB VAL 104 2.88 10 0.36 0.74 ++++ ++++ + * peak 728 Upper HA VAL 104 - QD2 LEU 118 3.96 8 0.48 1.18 +* ++ + + + + peak 3938 Upper QQG VAL 104 - HE21 GLN 107 3.77 9 0.53 1.04 * ++ ++ ++ ++ peak 1240 HE21 GLN 107 - QD2 LEU 118 Upper QB GLN 107 - H LEU 118 4.68 6 0.50 1.12 + + * + ++ peak 3622 Upper QG GLN 107 - H VAL 119 4.29 14 0.88 1.49 ++ + +++ +++ +* +++ peak 1308 Upper HA PRO 109 - H ALA 115 4.43 7 0.52 1.34 ++* + + + + peak 573 Upper HA2 GLY 110 - HB3 SER 111 3.88 7 0.50 1.37 ++ + + * ++ peak 3722 Upper HB2 PRO 112 - QD1 LEU 362 4.16 16 2.10 3.16 ++* ++++++ + +++ +++ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.95 17 1.65 2.75 +++ ++*+++++ +++ +++ peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.30 19 2.93 4.24 ++*+++++++ +++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 2.40 3.42 ++*+++++++++++++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 20 2.36 3.64 ++++++++*+++++++++++ peak 8268 Upper H GLU 113 - HA GLU 114 4.39 16 0.74 0.98 +++++++*++++ +++ + peak 3875 Upper HA GLU 113 - H ALA 116 3.82 6 0.33 0.88 +*+ + + + peak 975 Upper HG3 GLU 113 - H GLU 114 4.40 9 0.44 0.88 + ++ +*++++ peak 3819 Upper HG3 GLU 113 - QB ALA 116 4.51 18 1.03 1.66 ++++++++++ +++ ++++* peak 3839 Upper H GLU 114 - QD2 LEU 118 4.61 10 0.50 0.89 ++ ++* +++ + + peak 1278 Upper HA GLU 114 - HG2 GLU 114 3.34 12 0.63 0.82 +* ++++ ++ + +++ peak 504 Upper HA GLU 114 - H ALA 116 3.61 16 0.90 1.44 +++++ +*+ ++ ++++++ peak 3874 Upper QB GLU 114 - H ALA 117 4.06 13 0.65 0.93 ++ ++ ++ ++ +* +++ peak 1292 H ALA 117 - HB2 LEU 118 Upper QB ALA 115 - H ALA 117 3.72 14 0.70 1.00 ++++++ ++ +++ +*+ peak 1295 Upper HA ALA 116 - HB VAL 119 3.56 14 0.75 1.51 + ++++++ +++*++ + peak 3960 Upper HA ALA 116 - H ASP 120 4.05 11 0.67 1.06 ++++ + +* ++ ++ peak 624 Upper H ALA 117 - HB2 ASP 120 4.69 16 0.99 1.69 ++++++++* + +++ +++ peak 1289 Upper HA ALA 117 - HB3 ASP 120 3.58 8 0.45 1.15 + ++ + +*+ + peak 1485 Upper QB ALA 117 - HB2 ASP 120 4.40 9 0.43 0.90 ++ + ++ *+ ++ peak 1490 Upper QB ALA 117 - HB3 ASP 120 4.32 10 0.68 1.44 + +* + + +++ ++ peak 1487 Upper H LEU 118 - QG2 VAL 119 4.48 6 0.54 1.69 + * + +++ peak 8191 Upper HA LEU 118 - QD2 LEU 118 2.75 6 0.42 1.33 + + + + + * peak 887 Upper HB2 LEU 118 - H VAL 119 3.39 9 0.36 0.92 ++ + ++ + * + + peak 1310 Upper HB3 LEU 118 - H GLY 121 4.73 7 0.48 0.78 *++ ++ ++ peak 3909 Upper HG LEU 118 - HA VAL 119 4.42 15 0.82 1.40 ++ ++ ++++ +* +++++ peak 3943 Upper H VAL 119 - HA ASP 120 4.69 12 0.64 0.84 +++++ *+ ++ +++ peak 626 Upper QG1 VAL 119 - H LEU 122 4.72 6 0.53 0.88 ++ + * ++ peak 1328 Upper QG2 VAL 119 - HB2 LEU 122 3.82 18 1.16 1.95 + *++++++++++++++ ++ peak 3956 Upper HB3 ASP 120 - H LEU 122 4.85 6 0.35 0.88 + + + * ++ peak 1323 Upper QA GLY 121 - HG LEU 122 4.40 8 0.42 1.59 ++ ++ *+ + + peak 4003 Upper HA LEU 122 - QD1 LEU 122 3.46 9 0.47 0.67 ++* + + ++ ++ peak 933 Upper HA ALA 343 - HB2 LEU 345 3.97 13 0.71 1.08 +* ++ ++ ++ +++++ peak 1875 Upper QB ALA 343 - HG LEU 368 3.84 15 0.89 1.65 +++ + *++ +++ ++ +++ peak 1528 Upper QB ALA 343 - HA TRP 372 3.24 6 0.45 0.86 + +* ++ + peak 1632 Upper HG3 ARG 344 - HZ2 TRP 372 4.31 14 0.84 1.29 + + ++++* +++++ ++ peak 199 Upper H LEU 345 - HG LEU 345 3.23 7 0.41 1.38 + + + + + + * peak 686 Upper HA LEU 345 - QD PHE 347 4.24 19 1.14 1.97 ++*+++++++++++++++ + peak 103 Upper HA LEU 345 - H CYS 349 4.31 12 1.05 2.06 +*+ +++++ + + ++ peak 759 Upper HA ARG 346 - H PHE 350 4.81 19 1.20 2.22 +++++++++ ++++++++*+ peak 771 Upper HB3 PHE 347 - QD2 LEU 368 4.47 9 0.50 1.00 + + *++++ + + peak 2508 Upper QD PHE 347 - QD1 LEU 365 4.18 12 0.74 1.07 + +++ ++* +++++ peak 2398 Upper QD PHE 347 - H ARG 370 4.68 13 0.73 1.49 *+++ +++ +++ ++ + peak 97 Upper QD PHE 347 - QG2 VAL 388 4.17 10 0.57 1.38 * ++ +++ + + + + peak 3165 Upper QE PHE 347 - HG LEU 365 3.76 6 0.43 0.72 ++ + + +* peak 317 QE PHE 347 - QD2 LEU 368 Upper QE PHE 347 - HB2 CYS 369 4.04 17 0.78 1.07 +++ ++++++++ +++++ * peak 312 Upper QE PHE 347 - H GLU 390 4.61 19 1.11 1.95 ++*+++++++++ +++++++ peak 402 Upper HZ PHE 347 - H CYS 369 4.68 20 1.38 2.39 ++*+++++++++++++++++ peak 86 Upper HZ PHE 347 - HG LEU 387 3.81 6 0.30 0.99 ++ * +++ peak 296 Upper HZ PHE 347 - HA GLN 391 4.42 6 0.44 1.10 + + + + *+ peak 87 Upper HZ PHE 347 - HB2 PHE 392 4.80 20 1.43 2.11 *+++++++++++++++++++ peak 285 Upper QG ARG 348 - H PHE 350 4.39 8 0.49 0.95 *+ + +++++ peak 777 H PHE 350 - QB ALA 395 Upper H PHE 350 - HG2 GLN 391 4.64 9 0.74 2.12 +* +++ + ++ + peak 776 Upper HA PHE 350 - HB2 HIS 351 4.62 9 0.44 0.85 + + *+ + + ++ + peak 2041 Upper HA PHE 350 - QB ALA 395 4.26 14 0.82 1.80 +++ +++++ + +++ +* peak 1717 HA TYR 352 - QB ALA 395 Upper HB2 PHE 350 - QB ALA 395 4.71 9 0.60 1.31 *+ +++ + +++ peak 1714 Upper HB3 PHE 350 - QB ALA 395 4.79 19 1.45 2.27 +*++++++++ +++++++++ peak 2008 Upper QD PHE 350 - HB3 GLN 364 3.90 14 1.07 2.27 +++ +++++ ++ + +*+ peak 276 Upper QD PHE 350 - QD1 LEU 368 3.16 14 0.96 1.77 *++ +++ ++ + ++++ + peak 279 Upper QD PHE 350 - QB ALA 395 3.01 12 0.66 1.51 ++ +++ + +++++* peak 278 Upper QE PHE 350 - QD TYR 352 3.46 13 0.96 2.13 ++++++++ ++ + * + peak 60 Upper QE PHE 350 - QG GLU 353 5.27 6 0.38 1.37 ++ + * + + peak 2090 Upper QE PHE 350 - QG GLU 353 3.80 9 0.72 1.94 +++ *++ + + + peak 265 QE PHE 350 - HB3 GLN 364 Upper QE PHE 350 - HB2 GLN 364 3.86 11 0.83 2.14 ++* + +++ + + ++ peak 264 Upper QE PHE 350 - HG LEU 365 4.06 6 0.45 1.67 + + + ++ * peak 270 Upper QE PHE 350 - QD1 LEU 368 3.94 17 1.75 2.72 *++ ++++++ ++++++ ++ peak 269 Upper H HIS 351 - HD2 HIS 351 4.38 7 0.47 0.93 +* + + + + + peak 320 Upper H HIS 351 - HB2 GLN 364 5.12 8 0.41 1.62 +++ ++ ++ * peak 786 Upper H HIS 351 - QB ALA 395 5.08 14 0.82 1.53 ++ ++++++ + +++ +* peak 787 Upper HA HIS 351 - QB ALA 395 3.68 18 1.26 1.86 ++++++++++ ++++++ *+ peak 1718 Upper HB2 HIS 351 - QB ALA 395 5.20 19 1.57 2.43 ++++++++++ +++++++*+ peak 2051 Upper HB3 HIS 351 - QB ALA 395 4.87 19 2.14 2.86 ++++++++++ ++++*++++ peak 2046 Upper H TYR 352 - QB ALA 395 3.69 13 0.61 1.37 + ++++++ + +++ +* peak 1727 Upper H TYR 352 - HG LEU 396 5.22 19 2.75 4.51 +++++++++* +++++++++ peak 793 Upper H TYR 352 - HD2 PRO 397 5.06 17 2.20 3.56 *++ ++++++ + +++++++ peak 789 Upper HA TYR 352 - QB ALA 395 3.94 16 1.27 2.63 ++++++++++ + +++ +* peak 8166 Upper QB TYR 352 - H ALA 395 5.13 14 0.83 1.66 +++ ++++++ + ++ +* peak 1114 Upper QB TYR 352 - HD3 PRO 397 5.00 12 0.62 1.47 +++++ + + ++ + *+ peak 3382 Upper QD TYR 352 - QG GLU 354 3.32 10 0.60 1.52 +++++ * ++++ peak 243 QD TYR 352 - HG2 PRO 397 Upper QD TYR 352 - QG2 THR 356 4.43 10 0.60 1.87 + + +++ ++ + * + peak 248 Upper QD TYR 352 - QB ALA 395 3.77 12 0.75 2.08 + +++++++ +++ * peak 246 Upper QD TYR 352 - HB3 LEU 396 3.49 16 1.13 2.08 +++ ++++++ + +++*++ peak 249 QD TYR 352 - QG2 ILE 400 Upper QD TYR 352 - QD1 LEU 396 4.32 16 0.96 1.53 +++ ++++++ + +*+ +++ peak 251 Upper QD TYR 352 - HG3 PRO 397 3.56 16 1.44 3.02 +++++ ++++ ++ ++*++ peak 245 Upper QD TYR 352 - HD2 PRO 397 3.20 10 0.67 2.06 ++ ++ + + + *++ peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 15 0.98 2.35 +++++ ++++ ++ + *++ peak 241 Upper QD TYR 352 - QG2 VAL 419 3.77 15 1.34 2.53 + + +*++++ + +++++ + peak 250 Upper QE TYR 352 - QG GLU 353 5.20 8 0.51 1.24 + ++ + + *++ peak 2087 Upper QE TYR 352 - QG2 THR 356 4.13 16 1.06 2.21 +++ ++++++++ + + *++ peak 236 Upper QE TYR 352 - HB3 PRO 358 3.38 10 0.60 1.69 ++ + + + + *++ + peak 232 Upper QE TYR 352 - H ALA 361 4.72 11 0.85 2.43 ++ ++ ++ ++ +*+ peak 871 Upper QE TYR 352 - QB ALA 361 2.93 20 1.60 2.98 +++*++++++++++++++++ peak 233 Upper QE TYR 352 - QD PHE 392 4.66 20 1.76 2.41 ++++++++++++++++*+++ peak 140 Upper QE TYR 352 - QE PHE 392 4.04 11 0.74 1.73 + + +++ +++++* peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 11 0.64 1.51 ++ +++ +++++* peak 115 Upper QE TYR 352 - QD1 LEU 396 4.57 7 0.45 1.23 + * + + +++ peak 239 Upper QE TYR 352 - HG12 ILE 400 4.23 13 0.66 1.43 ++ + ++++ ++ ++* + peak 234 Upper QE TYR 352 - QG1 VAL 419 4.41 7 0.47 0.93 +++ * ++ + peak 8240 Upper H GLU 353 - HB THR 356 4.82 14 0.94 2.38 +++ ++ + +++ ++ ++* peak 2120 Upper HB2 GLU 353 - QG2 THR 356 4.17 9 0.49 1.60 + ++ + + *++ + peak 2582 Upper QG GLU 353 - HA GLU 354 5.18 7 0.48 1.05 ++ + + * ++ peak 2085 Upper QG GLU 353 - QB ALA 355 3.51 18 1.06 1.83 + ++++++++ *++++++++ peak 1710 Upper QG GLU 354 - H ALA 355 3.65 6 0.49 0.85 + + + + *+ peak 809 Upper QG GLU 354 - QD1 ILE 400 3.60 8 0.63 1.82 ++ + + ++ * + peak 3876 Upper H ALA 355 - QG2 THR 356 4.48 7 0.39 0.98 + *+ + + + + peak 812 Upper HB THR 356 - HE22 GLN 364 4.34 15 1.22 2.20 +++++ ++ *++ +++++ peak 184 Upper QG2 THR 356 - QB ALA 361 3.54 14 0.92 1.66 ++ +++*+++ ++++ + peak 1600 Upper QG2 THR 356 - H LEU 362 5.06 6 0.43 1.10 + + ++ + * peak 1774 QG2 THR 356 - H GLN 364 Upper QG2 THR 356 - HE21 GLN 364 3.68 6 0.45 1.10 ++ ++ + * peak 1772 Upper HG2 PRO 358 - QE PHE 392 4.05 8 0.43 1.20 + + +++ + +* peak 157 QE PHE 392 - HB VAL 419 Upper H GLN 359 - HB2 LEU 362 4.88 6 0.51 1.51 ++ ++ *+ peak 838 Upper H GLN 359 - HG LEU 362 4.91 19 1.52 2.78 ++++++++++ ++*++++++ peak 839 Upper H GLN 359 - QD1 LEU 362 3.96 6 0.56 1.78 + + + * + + peak 8308 Upper HA GLN 359 - HB3 LEU 362 4.02 8 0.60 1.41 + +++ + + *+ peak 1873 Upper HA GLN 359 - QD2 LEU 362 4.69 11 0.57 1.12 + + ++++ * + + ++ peak 2195 Upper QB GLN 359 - H LEU 362 4.02 15 0.74 1.21 +++++ ++++ + ++++* peak 881 Upper HG2 GLN 359 - HE21 GLN 359 3.39 7 0.34 0.71 ++* + + ++ peak 829 Upper HG2 GLN 359 - QD1 LEU 362 4.82 10 0.70 1.83 + +++ + *++++ peak 2208 Upper HG3 GLN 359 - H GLU 360 4.14 9 0.43 1.34 + ++++ + + * + peak 2220 Upper HG3 GLN 359 - QD1 LEU 362 4.65 12 0.75 1.86 +++ ++++ * + ++ + peak 2207 Upper HE21 GLN 359 - QD1 LEU 362 4.94 15 1.00 1.62 *++ ++++++ + + ++ ++ peak 852 Upper HE21 GLN 359 - QB ALA 417 4.41 6 0.39 2.47 * + + ++ + peak 849 Upper H GLU 360 - HA ALA 361 4.54 19 0.92 1.15 ++++++++++++++++ ++* peak 2256 Upper HB3 GLU 360 - QB ALA 363 3.65 15 0.89 1.96 +++ + +++* +++++ ++ peak 2234 Upper HG3 GLU 360 - QB ALA 361 4.09 6 0.43 1.52 * ++ + + + peak 1606 Upper HG3 GLU 360 - HE22 GLN 364 3.84 7 0.41 1.16 + + +++ +* peak 923 Upper H ALA 361 - QD2 LEU 362 4.38 17 1.08 1.99 +++*++++++++ ++ +++ peak 8217 Upper H ALA 361 - QE PHE 392 5.09 10 0.58 1.56 ++ +* ++ ++ ++ peak 869 Upper HA ALA 361 - H LEU 365 4.64 7 0.37 1.14 *++ + + + + peak 207 Upper QB ALA 361 - HB2 LEU 365 4.12 17 1.43 2.31 *++ ++++++ +++++ +++ peak 8142 Upper QB ALA 361 - HG LEU 365 4.22 7 0.45 1.44 ++* + + + + peak 1599 QB ALA 361 - QG2 VAL 419 Upper QB ALA 361 - QD2 LEU 365 4.63 9 0.52 1.70 ++ + + + + +*+ peak 1597 Upper QB ALA 361 - QE PHE 392 3.31 9 0.49 1.33 ++ ++ *++ + + peak 158 Upper QB ALA 361 - HZ PHE 392 4.16 15 0.73 1.57 ++++* +++ +++ ++ ++ peak 171 Upper H LEU 362 - HG LEU 362 3.15 10 0.48 1.60 ++ ++ ++*++ + peak 884 Upper H LEU 362 - HA ALA 363 4.23 16 0.86 1.54 +++++ +++ +++ +*+++ peak 876 Upper H LEU 362 - QG1 VAL 388 4.76 7 0.41 1.13 *+ + ++ ++ peak 886 Upper HB3 LEU 362 - QB ALA 416 3.64 7 0.60 2.37 + ++ * + ++ peak 8139 Upper HG LEU 362 - HG3 PRO 412 4.13 10 0.72 1.74 + + +*+ ++ + + + peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 7 0.49 2.02 + + + +* + + peak 3840 Upper QD1 LEU 362 - H LEU 365 5.40 9 0.55 1.92 + +++ +* + + + peak 2306 Upper QD1 LEU 362 - HG3 PRO 412 4.57 10 0.55 1.45 ++ *++ + ++ + + peak 3748 Upper QD1 LEU 362 - HG2 GLU 413 4.37 7 0.45 1.01 + ++ * +++ peak 2276 Upper QD1 LEU 362 - HG3 GLU 413 4.54 12 0.70 1.51 * +++++++ +++ + peak 3835 Upper QD1 LEU 362 - H ALA 415 4.36 13 1.05 2.62 +++ +++ *++ +++ + peak 8310 Upper QD2 LEU 362 - H LEU 389 4.25 12 0.57 0.99 *+ + +++ ++ + +++ peak 8218 QD2 LEU 362 - H ALA 416 Upper QD2 LEU 362 - HA LEU 389 3.39 16 1.01 1.62 +++++ +++ ++* +++++ peak 8214 Upper QD2 LEU 362 - QB ALA 415 4.41 16 0.81 1.33 +++++ +++ ++* +++++ peak 1678 Upper QD2 LEU 362 - H ALA 416 4.76 16 0.80 1.58 +++++ ++++ +* +++++ peak 977 Upper QD2 LEU 362 - HA ALA 416 5.29 14 0.77 1.90 ++++++++++ +* ++ peak 3886 Upper QD2 LEU 362 - QB ALA 416 3.40 14 0.66 1.31 + ++++ +++ +* ++++ peak 8208 Upper HA GLN 364 - HG3 GLN 364 3.35 6 0.34 0.67 *+ + + + + peak 1339 Upper HA GLN 364 - HE22 GLN 364 4.93 6 0.55 1.30 + + + + * + peak 394 Upper HA GLN 364 - HG3 GLU 367 4.41 6 0.38 1.02 + + + +*+ peak 2453 Upper H LEU 365 - QG2 VAL 388 3.66 11 0.72 1.74 * ++ +++ + + + ++ peak 8235 H CYS 369 - QG2 VAL 388 Upper HB3 LEU 365 - H GLU 367 4.89 8 0.43 0.80 +++ * ++ ++ peak 954 Upper HB3 LEU 365 - H PHE 392 4.60 16 1.18 2.62 +++ + ++*+++ +++ +++ peak 1168 Upper QD1 LEU 365 - H LEU 389 3.70 7 0.44 0.97 +* + ++++ peak 1132 QD1 LEU 387 - H LEU 389 Upper QD1 LEU 365 - HA GLN 391 4.57 6 0.37 1.63 + + + + +* peak 3219 Upper QD1 LEU 365 - QB ALA 395 3.86 14 0.73 1.46 +++ *+++ + + +++ ++ peak 1712 Upper QD2 LEU 365 - QD PHE 392 4.14 18 1.09 1.71 ++++++*++++++ ++ +++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.87 16 1.35 2.24 +++ *+++++ + +++ +++ peak 8295 Upper HA ARG 366 - QD2 LEU 387 4.13 14 0.76 1.28 ++ + +++ +* + +++++ peak 8226 Upper QB ARG 366 - H VAL 388 4.88 13 0.80 1.41 +*+ + +++ + +++++ peak 2448 Upper QG ARG 366 - HG3 GLU 367 5.00 9 0.48 0.86 + ++ ++ ++ * + peak 2459 Upper QG ARG 366 - QG2 VAL 388 3.52 13 0.70 1.12 ++++ ++* ++ + ++ + peak 3144 Upper H GLU 367 - QD2 LEU 368 4.55 6 0.34 0.92 + *+ + + + peak 956 Upper H GLU 367 - H ARG 370 4.29 17 0.72 0.98 ++*+++ +++++++ ++++ peak 195 Upper HA GLU 367 - H GLN 371 4.35 13 0.72 1.11 + +*++ ++ +++ + ++ peak 2481 Upper QD2 LEU 368 - H CYS 369 3.83 6 0.59 1.06 + + *+ + + peak 2535 Upper HA CYS 369 - HB3 LEU 373 4.04 14 0.78 1.11 *+ +++++++ +++++ peak 2555 Upper HA CYS 369 - QG2 VAL 388 4.09 10 0.64 1.07 + + + ++ + + + *+ peak 8233 QG2 VAL 388 - HB2 PHE 392 Upper HB3 CYS 369 - HB3 LEU 373 3.84 7 0.46 0.99 ++ ++ + *+ peak 8275 Upper HG2 ARG 370 - H GLN 371 4.03 17 0.86 1.34 + +*++++++++++ ++ ++ peak 285 Upper HG2 ARG 370 - QD1 LEU 384 3.58 8 0.52 0.96 ++ + +* ++ + peak 2574 Upper HG3 ARG 370 - H GLU 376 4.58 14 0.68 1.09 +++ ++++++ *+ + ++ peak 1009 Upper HD3 ARG 370 - H ARG 374 5.01 9 0.58 1.22 + + +++ * ++ + peak 2605 Upper H GLN 371 - QG ARG 374 4.17 7 0.39 0.77 ++ + + + * + peak 286 Upper QB GLN 371 - H LEU 373 4.58 6 0.50 0.73 + + + *+ + peak 751 Upper H TRP 372 - QD2 LEU 373 4.94 7 0.51 0.95 + + + +++ * peak 1341 Upper HB2 TRP 372 - H ARG 374 5.23 20 0.91 1.05 ++++++++++++*+++++++ peak 2647 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 20 0.85 0.93 ++++++++++*+++++++++ peak 214 Upper HE3 TRP 372 - QD2 LEU 373 4.26 8 0.60 0.90 + + ++ ++ +* peak 211 Upper HE1 TRP 372 - HB3 LEU 386 5.01 14 0.87 1.91 + ++* +++++ ++ +++ peak 255 Upper HE1 TRP 372 - HG LEU 386 4.94 15 0.92 1.65 +++ *++++++++ +++ peak 264 HE1 TRP 372 - HG LEU 387 Upper HZ3 TRP 372 - QD2 LEU 373 4.27 8 0.54 0.75 * ++ ++ ++ + peak 218 Upper HZ2 TRP 372 - HA LEU 386 4.79 20 1.50 1.89 +++++++++*++++++++++ peak 138 Upper HZ2 TRP 372 - HA LEU 387 4.43 20 1.13 1.48 +++++*++++++++++++++ peak 121 Upper H LEU 373 - HD2 PRO 375 4.79 20 1.11 1.52 *+++++++++++++++++++ peak 2707 Upper HB3 LEU 373 - H MET 383 4.93 16 0.70 1.03 ++++++ ++ *+++++++ peak 1075 Upper QD2 LEU 373 - QB LEU 384 4.08 14 0.71 1.08 ++++ + +++*+ ++ ++ peak 2938 Upper HD3 PRO 375 - HG LEU 384 3.73 14 0.87 1.92 + + + ++ + ++++* +++ peak 2677 Upper H GLU 376 - QD1 LEU 384 5.08 9 0.66 1.09 * + +++ +++ + peak 1008 Upper H VAL 377 - HB3 ARG 378 4.02 17 0.65 0.78 +++ +++++ ++*+++++ + peak 1019 Upper H ARG 378 - HG2 MET 383 4.69 6 0.50 0.91 + + ++* + peak 1022 Upper HB3 ARG 378 - H MET 383 3.95 9 0.54 0.71 + + ++++ + + * peak 1077 Upper HB2 LYS 380 - H GLU 381 3.11 6 0.37 0.74 * ++ ++ + peak 1049 Upper H GLU 381 - QE MET 383 4.70 16 0.77 1.15 ++++ ++*++ + ++++++ peak 1649 Upper H GLU 381 - QD1 LEU 384 4.55 7 0.39 1.08 ++ + + +* + peak 1046 Upper HB2 MET 383 - QB LEU 384 4.10 6 0.59 1.06 *+ ++ + + peak 3000 Upper H LEU 384 - QD1 LEU 387 4.69 12 0.61 1.14 +++*+ ++ +++++ peak 3097 Upper HA LEU 384 - HB2 LEU 387 4.41 17 0.90 1.61 +*++ +++++++ ++ ++++ peak 3131 Upper QB LEU 384 - QD1 LEU 387 3.12 12 0.61 1.19 +++++ ++ +*+++ peak 3117 Upper QB LEU 384 - HA VAL 388 4.43 16 0.93 1.64 +++++++++ + +*+ +++ peak 3138 Upper HG LEU 384 - H GLU 385 4.14 12 0.55 1.11 +++ ++ + +*+ +++ peak 3021 Upper QD1 LEU 384 - H LEU 387 4.35 19 0.87 1.25 ++++++++++++ +++++*+ peak 8320 Upper H GLU 385 - QD2 LEU 386 4.42 13 0.96 2.07 ++*+ + +++ +++ ++ peak 1090 Upper HG2 GLU 385 - QD2 LEU 386 4.35 9 0.50 1.31 + + + ++ ++ *+ peak 3031 Upper H LEU 386 - HG LEU 386 3.52 8 0.37 0.99 ++ + ++ + +* peak 3075 Upper HA LEU 386 - QD2 LEU 386 2.87 12 0.57 1.14 + + ++ +++* +++ + peak 827 Upper HA LEU 386 - H LEU 389 4.40 18 0.80 1.27 +++ ++++++*++++++ ++ peak 3088 Upper HA LEU 386 - H GLU 390 4.37 9 0.52 0.91 * + +++ +++ + peak 3087 Upper QD2 LEU 386 - HB2 LEU 387 3.72 10 0.90 2.33 ++ + ++ ++* ++ peak 3052 Upper H LEU 387 - HA VAL 388 3.93 20 0.84 0.98 +++*++++++++++++++++ peak 376 Upper HA LEU 387 - HG LEU 387 3.51 8 0.43 0.75 ++ *+ + +++ peak 347 Upper QD2 LEU 387 - H GLU 390 4.96 8 0.55 0.98 ++ ++ +*+ + peak 3092 Upper HB VAL 388 - H PHE 392 5.12 6 0.34 0.96 * ++ + + + peak 1165 Upper H LEU 389 - HB2 PHE 392 5.11 6 0.35 0.89 + * + + ++ peak 473 Upper H LEU 389 - QD PHE 392 4.85 15 0.76 1.17 +++ +++++ + +*+ +++ peak 468 H LEU 396 - H GLN 401 Upper HG LEU 389 - H GLU 390 3.93 8 0.41 1.01 + ++ *+ + ++ peak 1145 Upper QD1 LEU 389 - H SER 411 3.73 6 0.44 1.36 ++ ++ * + peak 1264 Upper QD2 LEU 389 - QD PHE 392 4.17 7 0.38 1.36 + + * ++ + + peak 3200 Upper QD2 LEU 389 - H ALA 415 3.70 11 0.64 1.46 +* +++++ + + + + peak 1287 Upper QD2 LEU 389 - QB ALA 415 2.89 8 0.60 1.89 ++ + ++ ++ * peak 1680 Upper QD2 LEU 389 - H ALA 416 4.39 17 1.15 1.97 +++*++++++ + +++++ + peak 979 Upper HA GLN 391 - H LEU 393 5.27 6 0.46 1.48 + + ++ +* peak 1863 Upper HA GLN 391 - H ALA 395 5.16 11 0.57 2.13 ++ ++++ ++*++ peak 1860 Upper HE21 GLN 391 - HA ALA 395 5.47 12 0.91 1.98 * ++++++ + +++ + peak 416 Upper HE22 GLN 391 - H ALA 395 5.05 8 0.50 1.87 + + ++ + ++* peak 446 Upper QD PHE 392 - HG LEU 393 4.60 6 0.42 1.45 +* + + ++ peak 3284 Upper QD PHE 392 - QG1 VAL 419 4.13 14 0.73 1.27 ++ ++++++ ++++* + peak 151 Upper QE PHE 392 - HA LEU 393 4.08 8 0.41 1.54 + +++ ++ + * peak 112 Upper QE PHE 392 - H VAL 419 4.57 11 0.72 1.29 + ++++ * + +++ + peak 131 Upper HZ PHE 392 - H VAL 419 4.66 16 1.00 1.93 +++ ++++++++ *++ ++ peak 627 Upper HZ PHE 392 - HB VAL 419 4.66 6 0.32 0.91 + + * +++ peak 3966 Upper H LEU 393 - HG LEU 393 3.72 6 0.35 1.00 ++ +* ++ peak 3285 Upper H LEU 393 - HA2 GLY 394 4.95 9 0.59 0.79 + + ++ * ++ ++ peak 3305 Upper HA LEU 393 - QB ALA 395 4.31 17 0.93 1.64 +++ ++++++++ +++ ++* peak 3274 Upper HA LEU 393 - HG LEU 396 4.26 9 0.48 1.30 + ++* ++ ++ + peak 3330 Upper QD1 LEU 393 - H GLY 394 4.17 12 0.66 1.15 +++ +++ ++ +* + + peak 1179 Upper QD1 LEU 393 - H VAL 404 5.03 6 0.30 0.92 + +++ + * peak 3299 QD1 LEU 393 - H ALA 415 Upper QD1 LEU 393 - HA GLN 405 3.79 8 0.43 1.10 +++ ++ +* + peak 3279 Upper QD1 LEU 393 - HG3 PRO 409 3.46 6 0.45 1.49 +*+ + + + peak 3270 Upper QD1 LEU 393 - HD3 PRO 409 4.08 9 0.55 1.18 ++++ + +++ * peak 3275 Upper QD2 LEU 393 - HD3 PRO 409 4.15 12 0.83 1.58 + +++++ + +*+ ++ peak 3276 Upper H GLY 394 - QD1 LEU 396 4.87 11 0.65 1.33 + +++++ + +*+ + peak 1181 Upper H GLY 394 - HG2 GLN 401 5.10 13 0.81 1.77 + +++++ +++*+ ++ peak 1174 Upper H ALA 395 - QD1 LEU 396 4.56 12 0.61 1.23 ++ +++++* + + ++ peak 1113 Upper H ALA 395 - QD2 LEU 396 4.77 9 0.56 1.07 ++ +* ++ +++ peak 1112 Upper H LEU 396 - HG LEU 396 3.38 9 0.56 1.33 + + +++ + *+ + peak 1185 Upper H LEU 396 - QG2 ILE 400 4.64 15 0.89 1.42 +++ +++*+ + +++ +++ peak 1673 Upper H LEU 396 - HA GLN 401 4.86 17 1.36 2.11 +++ ++*+++ + +++++++ peak 462 Upper HA LEU 396 - HG2 PRO 397 3.73 16 0.70 1.03 +++++ +++*+++ ++++ peak 3408 Upper HG LEU 396 - QG1 VAL 419 3.43 6 0.50 1.55 +++ + * + peak 3952 QG1 VAL 419 - HB2 LEU 422 Upper QD1 LEU 396 - HA VAL 404 5.21 6 0.34 1.00 ++ * + + + peak 3590 Upper QD1 LEU 396 - H GLN 405 4.70 8 0.56 1.31 + + +++ + + * peak 1220 Upper QD2 LEU 396 - HB3 GLN 401 5.44 6 0.35 1.12 + + ++ + * peak 4064 Upper QD2 LEU 396 - H VAL 419 5.05 11 0.59 1.17 + +++++ + *++ + peak 1315 Upper HA PRO 397 - H GLU 399 4.16 6 0.37 0.91 + + + + *+ peak 1190 Upper HB3 PRO 397 - HG12 ILE 400 3.63 14 1.00 1.77 +++ *++ ++ ++++++ peak 3476 QB GLU 399 - HG12 ILE 400 Upper HD2 PRO 397 - HG12 ILE 400 4.35 13 0.75 1.72 +++ +++ * ++++++ peak 3375 Upper HA PRO 398 - HE22 GLN 401 4.80 17 1.06 1.87 +++ +++++*++++++ ++ peak 478 Upper HA GLU 399 - QD1 ILE 400 4.54 17 1.23 1.92 +++++ +++++++ +*+++ peak 2034 Upper QB GLU 399 - QD1 ILE 400 3.24 14 0.87 1.52 + *+ +++++++ ++ ++ peak 2725 Upper QG GLU 399 - QG2 ILE 400 4.03 11 0.61 0.88 + + ++++ + ++ +* peak 1613 Upper H ILE 400 - HB2 GLN 401 4.07 6 0.26 0.74 + + + + * + peak 3532 HB2 GLN 401 - H ARG 403 Upper HA ILE 400 - H VAL 404 3.88 9 0.60 1.35 + +*++ + ++ + peak 737 Upper HG12 ILE 400 - H GLN 401 4.42 12 0.45 0.71 +++ +++ + ++* ++ peak 3493 Upper HG12 ILE 400 - QG1 VAL 419 3.90 8 0.58 1.53 + + ++ +* + + peak 3953 Upper QD1 ILE 400 - HA VAL 419 4.44 14 0.94 2.33 + +*++++ + +++++ + peak 2730 Upper QD1 ILE 400 - HA ARG 423 4.58 7 0.41 1.11 + +* + ++ + peak 3484 Upper QD1 ILE 400 - QB ARG 423 3.34 7 0.55 1.02 +*++ + ++ peak 4039 QD2 LEU 422 - QB ARG 423 Upper H GLN 401 - HE22 GLN 401 5.41 10 0.50 0.99 + ++++ *++ ++ peak 482 Upper HA GLN 401 - HE22 GLN 401 4.97 17 0.84 1.08 +++++++++ ++ +++++* peak 477 Upper HG3 GLN 401 - QB ALA 402 4.48 20 1.32 1.54 ++++++++++++++++*+++ peak 4091 Upper QB ALA 402 - QG GLN 405 3.94 8 0.49 1.06 + +++ + *+ + peak 4097 Upper H VAL 404 - HB VAL 404 2.88 14 0.50 0.78 +++ +++ + * +++ +++ peak 728 Upper HB VAL 404 - QG2 VAL 419 3.83 6 0.38 1.25 + + + * + + peak 3955 HG LEU 418 - QG2 VAL 419 QG2 VAL 419 - HG LEU 422 Upper QQG VAL 404 - HE21 GLN 407 3.77 6 0.48 1.07 ++ ++ +* peak 1240 HE21 GLN 407 - QD2 LEU 418 Upper QB GLN 407 - H LEU 418 4.68 8 0.55 0.99 + +++ + + * + peak 3622 Upper QG GLN 407 - H VAL 419 4.29 19 1.18 1.87 +++++++++++* +++++++ peak 1308 Upper HA PRO 409 - H ALA 415 4.43 10 0.54 0.95 ++++ *+ +++ + peak 573 Upper H GLY 410 - H ALA 415 5.16 8 0.42 0.87 + +++ + +* + peak 540 Upper H GLU 413 - HA GLU 414 4.39 19 0.88 1.14 ++++++++++++ +*+++++ peak 3875 Upper HA GLU 413 - QB ALA 417 4.25 9 0.63 1.49 + +++ + ++ + * peak 1696 Upper HG3 GLU 413 - H GLU 414 4.40 15 0.56 0.86 +++*+ ++++ +++ +++ peak 3819 Upper HG3 GLU 413 - QB ALA 416 4.51 13 0.69 1.17 +++*+++ ++ ++ ++ peak 3839 Upper H GLU 414 - QD2 LEU 418 4.61 19 0.87 1.20 +++ +++++++++++++++* peak 1278 Upper HA GLU 414 - HG2 GLU 414 3.34 12 0.63 0.81 + + ++ +++* ++ ++ peak 504 Upper HA GLU 414 - H ALA 416 3.61 17 0.72 1.12 ++ + +++++*+ +++++++ peak 3874 Upper QB GLU 414 - H ALA 417 4.06 17 0.68 0.87 ++++++++ +++ +++ +*+ peak 1292 H ALA 417 - HB2 LEU 418 Upper QB ALA 415 - H ALA 417 3.72 20 0.87 1.07 +++++*++++++++++++++ peak 1295 Upper HA ALA 416 - HB VAL 419 3.56 14 0.67 1.72 ++ ++ ++++ ++*+++ peak 3960 Upper H ALA 417 - HB2 ASP 420 4.69 9 0.62 1.13 + + +*++ ++ + peak 1289 Upper QB ALA 417 - H GLY 421 4.75 8 0.52 0.94 ++++ ++* + peak 1320 Upper H LEU 418 - QG2 VAL 419 4.48 15 0.86 1.51 + +* +++++ +++++ ++ peak 8191 Upper HB2 LEU 418 - H VAL 419 3.39 6 0.31 0.85 *+ + ++ + peak 1310 Upper HG LEU 418 - HA VAL 419 4.42 19 1.06 1.41 +++++++++++++++*+++ peak 3943 Upper H VAL 419 - HA ASP 420 4.69 18 0.65 0.77 +++* ++++ ++++++++++ peak 626 Upper QG2 VAL 419 - HB2 LEU 422 3.82 9 0.52 1.36 +++ + + +*+ + peak 3956 Upper QA GLY 421 - HG LEU 422 4.40 10 0.37 0.82 + + +++ + +++ * peak 4003 Upper HA LEU 422 - QD1 LEU 422 3.46 10 0.53 0.68 + + +++ + +++ * peak 933 Upper QD2 LEU 422 - H ARG 424 3.48 8 0.45 1.34 +* + + ++ ++ peak 3079 VdW HA ASP 37 - CD PRO 38 2.60 9 0.17 0.27 + ++ + + + ++ * VdW O PRO 38 - C GLY 39 2.80 10 0.16 0.34 + + ++ ++++ + * VdW HA3 GLY 39 - CD PRO 40 2.60 10 0.14 0.30 + + ++ ++*+ + + VdW HB3 PRO 40 - O TRP 72 2.30 6 0.12 0.34 + + + + + * VdW O ALA 43 - N PHE 47 2.75 11 0.19 0.32 +* ++ ++ + +++ + VdW O ALA 43 - H PHE 47 1.80 6 0.14 0.29 + + * + + + VdW HG2 ARG 44 - CE3 TRP 72 2.60 9 0.17 0.39 ++ + + *+++ + VdW HG3 ARG 44 - CZ3 TRP 72 2.60 6 0.10 0.49 + ++ +* + VdW HA PHE 47 - CD1 LEU 68 2.60 6 0.12 0.53 + + + *++ VdW CB PHE 47 - HB3 LEU 68 2.60 7 0.14 0.45 + + +*+ + + VdW HB2 PHE 47 - CB LEU 68 2.60 16 0.37 0.69 + ++++ + +*++++++ ++ VdW HB2 PHE 47 - HB3 LEU 68 2.00 14 0.39 0.84 ++ + + +*+++ + ++++ VdW CE1 PHE 47 - CB LEU 87 3.20 7 0.12 0.35 + ++* + + + VdW CE1 PHE 47 - HB2 LEU 87 2.60 7 0.22 0.80 + + + * + + + VdW CE1 PHE 47 - CB GLN 91 3.20 11 0.22 0.61 + + + ++* +++ + + VdW CE1 PHE 47 - HB2 GLN 91 2.60 11 0.22 0.52 + * +++ + +++++ VdW CE1 PHE 47 - CG GLN 91 3.20 9 0.15 0.47 + ++*++ + + + VdW CZ PHE 47 - CB LEU 87 3.20 13 0.25 0.54 ++* ++++ + +++++ VdW CZ PHE 47 - HB2 LEU 87 2.60 15 0.41 0.69 ++++ +++ * ++++++ + VdW CZ PHE 47 - CB GLN 91 3.20 16 0.32 0.61 ++*++ ++++ ++ +++ ++ VdW CZ PHE 47 - HB3 GLN 91 2.60 8 0.21 0.66 *+++ + +++ VdW CZ PHE 47 - CG GLN 91 3.20 8 0.16 0.56 ++ +* ++ + + VdW HZ PHE 47 - C LEU 87 2.50 13 0.32 0.65 + *++ +++ + + + ++ + VdW HZ PHE 47 - N VAL 88 2.45 12 0.25 0.59 ++ + + + +++ *+++ VdW CE2 PHE 47 - SG CYS 69 3.40 13 0.32 0.85 + + + ++ +*+ +++++ VdW HE2 PHE 47 - CA LEU 65 2.60 8 0.13 0.37 + + + ++* + + VdW HE2 PHE 47 - SG CYS 69 2.80 12 0.18 0.37 + + + + +++ ++++* VdW HD2 PHE 47 - HB2 LEU 68 2.00 13 0.30 0.63 + + + *++ + + +++++ VdW HA ARG 48 - CD GLN 91 2.50 7 0.13 0.42 ++ ++ + *+ VdW CD1 PHE 50 - N HIS 51 3.05 6 0.14 0.66 + *+ + ++ VdW CD1 PHE 50 - H HIS 51 2.55 7 0.16 0.96 + ++ + * ++ VdW CE1 PHE 50 - CA ALA 61 3.20 7 0.13 0.53 + * + + ++ + VdW CE1 PHE 50 - HA ALA 61 2.60 10 0.24 0.64 ++ + * ++ +++ + VdW HE1 PHE 50 - CA ALA 61 2.60 6 0.12 0.54 +* + ++ + VdW CZ PHE 50 - HA ALA 61 2.60 9 0.23 0.93 ++ * + + + ++ + VdW CZ PHE 50 - CG GLN 64 3.20 6 0.15 0.44 + * + + ++ VdW CZ PHE 50 - HG3 GLN 64 2.60 10 0.19 0.55 +*+ ++ ++ + ++ VdW HZ PHE 50 - CG GLU 60 2.60 8 0.21 0.72 ++ + ++ + + * VdW HZ PHE 50 - HG3 GLU 60 2.00 9 0.17 0.57 + ++ ++ ++ + * VdW CE2 PHE 50 - CA ALA 61 3.20 6 0.12 0.38 + *++ + + VdW CE2 PHE 50 - HA ALA 61 2.60 9 0.25 0.73 + ++ +++ + * + VdW HE2 PHE 50 - CA ALA 61 2.60 7 0.15 0.47 + + +++ * + VdW HE2 PHE 50 - HA ALA 61 2.00 6 0.15 0.76 + ++ + + * VdW CG HIS 51 - C HIS 51 2.90 11 0.20 0.25 ++ ++ + ++ +++ * VdW CD2 HIS 51 - N TYR 52 3.05 6 0.09 0.57 + + +* ++ VdW N TYR 52 - C ALA 95 2.95 6 0.13 0.44 + + + * ++ VdW N TYR 52 - O ALA 95 2.75 16 0.56 1.32 + ++++++++ ++ *++ ++ VdW H TYR 52 - C ALA 95 2.45 11 0.26 0.75 + +++++ * +++ + VdW H TYR 52 - O ALA 95 1.80 9 0.30 0.96 *+ ++ ++ + ++ VdW HB3 TYR 52 - CB ALA 95 2.60 9 0.16 0.59 ++ ++++ * ++ VdW HB3 TYR 52 - C ALA 95 2.50 6 0.12 0.46 ++ + *+ + VdW CG TYR 52 - C TYR 52 2.90 15 0.21 0.24 ++++ +++*+ ++++++ VdW CG TYR 52 - O TYR 52 2.90 14 0.25 0.59 ++ +* ++++ + +++ ++ VdW CG TYR 52 - O GLY 57 2.90 13 0.32 0.81 ++++ ++ ++ +* +++ VdW CD1 TYR 52 - C TYR 52 3.10 9 0.36 0.89 +* +++ + + + + VdW CD1 TYR 52 - O TYR 52 2.90 9 0.37 1.05 ++ +++ + + + * VdW CD1 TYR 52 - C GLY 57 3.10 6 0.12 0.57 ++ + *+ + VdW CD1 TYR 52 - O GLY 57 2.90 6 0.20 1.11 ++ + + + * VdW CD1 TYR 52 - CA PRO 58 3.20 7 0.23 0.78 + + * +++ + VdW CD1 TYR 52 - HA PRO 58 2.60 8 0.31 1.14 + + ++ *++ + VdW CD1 TYR 52 - HA LEU 96 2.60 6 0.14 0.66 * ++ ++ + VdW HD1 TYR 52 - C TYR 52 2.50 9 0.40 1.09 +* +++ + + + + VdW HD1 TYR 52 - O TYR 52 2.30 7 0.25 1.00 + +++ + + * VdW HD1 TYR 52 - N GLU 53 2.45 8 0.21 0.67 +* +++ + + + VdW HD1 TYR 52 - HA PRO 58 2.00 6 0.20 0.95 + + + +* + VdW CE1 TYR 52 - C GLY 57 3.10 7 0.20 1.08 ++ + + + + * VdW CE1 TYR 52 - N PRO 58 3.05 8 0.25 0.76 + + + ++ * ++ VdW CE1 TYR 52 - CA PRO 58 3.20 8 0.32 1.04 + + + *+ + ++ VdW CE1 TYR 52 - HA PRO 58 2.60 8 0.30 1.35 + + ++ * + ++ VdW CZ TYR 52 - C GLY 57 3.10 7 0.15 0.60 +* + + + + + VdW CE2 TYR 52 - C GLY 57 3.10 6 0.13 0.45 +*+ + + + VdW CE2 TYR 52 - N PRO 58 3.05 6 0.18 0.68 +* ++ + + VdW CE2 TYR 52 - CA PRO 58 3.20 7 0.20 0.91 ++ +*+ + + VdW CE2 TYR 52 - CD1 LEU 96 3.20 6 0.10 0.47 + ++ * + + VdW CD2 TYR 52 - C TYR 52 3.10 11 0.36 0.90 + ++ + ++++ * ++ VdW CD2 TYR 52 - O TYR 52 2.90 9 0.32 0.98 + ++ + +++ + * VdW CD2 TYR 52 - C GLY 57 3.10 9 0.21 0.74 + +* ++ + + + + VdW CD2 TYR 52 - O GLY 57 2.90 7 0.17 0.55 +*++ + ++ VdW CD2 TYR 52 - CA PRO 58 3.20 7 0.21 0.72 ++ ++* + + VdW CD2 TYR 52 - HA PRO 58 2.60 7 0.27 1.05 ++ ++* + + VdW HD2 TYR 52 - C TYR 52 2.50 11 0.32 1.09 + ++ + ++++ * ++ VdW HD2 TYR 52 - O TYR 52 2.30 7 0.18 0.70 + + + * + ++ VdW HD2 TYR 52 - N GLU 53 2.45 6 0.16 0.68 + + +++ * VdW O TYR 52 - CD PRO 97 2.90 7 0.14 0.52 ++ * ++ + + VdW O TYR 52 - HD3 PRO 97 2.30 10 0.26 0.78 +* +++++ + ++ VdW C GLU 53 - N ALA 55 2.95 7 0.19 0.56 + ++ + + + * VdW C GLU 53 - H ALA 55 2.45 8 0.22 0.86 + ++ + +++ * VdW O GLU 53 - N THR 56 2.75 12 0.20 0.57 ++++ + + ++++* + VdW O GLU 53 - H THR 56 1.80 6 0.14 0.53 + + + +* + VdW OG1 THR 56 - CD GLU 60 2.80 8 0.21 0.57 + + + *+ + ++ VdW CG2 THR 56 - C THR 56 2.90 8 0.14 0.30 + + + ++ ++ * VdW CG2 THR 56 - CG GLU 60 3.20 7 0.13 0.26 + + + ++ * + VdW CG2 THR 56 - HG2 GLU 60 2.60 6 0.16 0.53 * + + ++ + VdW CB PRO 58 - HZ PHE 92 2.60 8 0.21 0.69 + ++ * ++++ VdW HB2 PRO 58 - CZ PHE 92 2.60 7 0.20 1.17 + + + ++*+ VdW HB2 PRO 58 - HZ PHE 92 2.00 13 0.39 0.92 + + ++ *+ + ++++++ VdW HG2 PRO 58 - O ALA 395 2.30 7 0.16 0.77 +++ + * + + VdW C PRO 58 - O ALA 395 2.80 7 0.24 1.07 ++ + ++ *+ VdW O PRO 58 - C GLN 59 2.80 7 0.14 0.37 + + + +++* VdW N GLN 59 - C ALA 395 2.95 6 0.16 0.72 ++ + *+ + VdW N GLN 59 - O ALA 395 2.75 9 0.55 1.56 +++ + + *+ ++ VdW H GLN 59 - O ALA 395 1.80 6 0.17 0.89 *+ + ++ + VdW CA GLN 59 - CB ALA 395 3.20 7 0.27 1.20 + ++ +* ++ VdW CA GLN 59 - HB1 ALA 395 2.60 6 0.20 1.40 + ++ * + + VdW CA GLN 59 - O ALA 395 2.90 10 0.34 1.04 *++ ++ + ++ ++ VdW HA GLN 59 - CB ALA 395 2.60 9 0.35 1.31 + + ++ +* + ++ VdW HA GLN 59 - HB1 ALA 395 2.00 8 0.21 0.85 + ++++* + + VdW HA GLN 59 - HB3 ALA 395 2.00 6 0.18 0.88 + * ++ ++ VdW CB GLN 59 - CB TYR 352 3.20 10 0.27 0.93 ++ *+++ + +++ VdW CB GLN 59 - HB2 TYR 352 2.60 9 0.33 0.99 + ++++ + ++* VdW HB2 GLN 59 - CA TYR 352 2.60 6 0.14 0.81 + *++ + + VdW HB2 GLN 59 - CB TYR 352 2.60 8 0.32 1.27 + *+++ + + + VdW HB2 GLN 59 - HB2 TYR 352 2.00 7 0.27 1.08 + + ++ * + + VdW CG GLN 59 - CD1 TYR 352 3.20 6 0.11 0.69 ++ + ++ * VdW CD GLN 59 - CD2 TYR 352 3.10 6 0.10 0.42 ++ ++ * + VdW NE2 GLN 59 - C ALA 395 2.95 6 0.22 0.86 ++ * + ++ VdW NE2 GLN 59 - N LEU 396 2.90 6 0.19 0.94 *+ + + ++ VdW NE2 GLN 59 - CA LEU 396 3.05 7 0.20 0.83 + + ++ + *+ VdW NE2 GLN 59 - HA LEU 396 2.45 8 0.30 1.11 + ++ ++* + + VdW HE21 GLN 59 - C ALA 395 2.45 6 0.14 0.95 +++ + * + VdW HE21 GLN 59 - HA LEU 396 1.95 6 0.16 0.97 + ++ * ++ VdW C GLN 59 - N ALA 61 2.95 6 0.12 0.34 + +* + + + VdW O GLN 59 - C GLU 60 2.80 6 0.14 0.34 + *+ + ++ VdW O GLN 59 - N ALA 61 2.75 7 0.14 0.56 + +* + + ++ VdW O GLN 59 - N LEU 62 2.75 8 0.17 0.48 + * ++ + + ++ VdW O GLN 59 - CB ALA 395 2.90 7 0.16 0.65 +* + + +++ VdW CA GLU 60 - HA HIS 351 2.60 9 0.20 0.69 + ++ ++ * ++ + VdW HA GLU 60 - HA HIS 351 2.00 7 0.20 0.88 * ++ + ++ + VdW CB GLU 60 - HA HIS 351 2.60 6 0.15 0.72 + +* + ++ VdW CG GLU 60 - C GLU 60 2.90 12 0.16 0.24 ++ ++ +*+++++ + VdW HG3 GLU 60 - C GLU 60 2.50 13 0.30 0.51 + + ++ *+ ++++++ + VdW CD GLU 60 - NE2 GLN 64 2.95 11 0.25 0.60 + ++ ++ +*+++ + VdW CD GLU 60 - HE21 GLN 64 2.45 10 0.21 0.49 + + ++ + + +++ * VdW OE2 GLU 60 - NE2 GLN 64 2.75 7 0.12 0.84 * + ++ +++ VdW O GLU 60 - CG GLN 64 2.90 6 0.13 0.53 + * + ++ + VdW CB ALA 61 - CB ALA 95 3.20 16 0.41 0.77 +*+ +++ ++ ++++++ ++ VdW CB ALA 61 - HB2 ALA 95 2.60 8 0.16 0.44 + +++ ++ + * VdW CB ALA 61 - HB3 ALA 95 2.60 6 0.14 0.59 + + + +*+ VdW HB1 ALA 61 - CB ALA 95 2.60 7 0.14 0.56 +* + + + + + VdW HB2 ALA 61 - CB ALA 95 2.60 9 0.20 0.73 * + + + + +++ + VdW HB3 ALA 61 - CB ALA 95 2.60 8 0.18 0.58 + + ++ + * ++ VdW C ALA 61 - HG LEU 65 2.50 6 0.14 0.51 + + + * + + VdW O ALA 61 - CG LEU 65 2.90 10 0.25 1.13 ++ +++++ + + * VdW O ALA 61 - HG LEU 65 2.30 10 0.34 1.33 +++ ++ ++ + + * VdW H LEU 62 - CB ALA 395 2.55 6 0.16 0.68 +++ +*+ VdW CA LEU 62 - CD1 LEU 62 3.00 6 0.08 0.26 + * +++ + VdW HA LEU 62 - CD1 LEU 62 2.60 7 0.14 0.50 + + * +++ + VdW CB LEU 62 - O GLN 391 2.90 9 0.32 0.97 +++*+ + +++ VdW CB LEU 62 - CB ALA 395 3.20 6 0.10 0.44 + +*+ + + VdW HB3 LEU 62 - NE2 GLN 391 2.45 6 0.18 0.88 + +* + ++ VdW CG LEU 62 - O GLN 391 2.90 7 0.22 0.82 + +++ + +* VdW CD1 LEU 62 - O GLN 391 2.90 6 0.16 0.68 + ++ + +* VdW CD1 LEU 62 - O PHE 392 2.90 8 0.33 1.02 *++++ + ++ VdW CD1 LEU 62 - N GLY 394 3.05 6 0.13 0.62 + + + +*+ VdW CD1 LEU 62 - CA GLY 394 3.20 6 0.18 1.03 + + + +*+ VdW CD1 LEU 62 - N ALA 395 3.05 8 0.30 1.23 +++++ + +* VdW CD1 LEU 62 - H ALA 395 2.55 7 0.22 1.21 ++++* + + VdW CD1 LEU 62 - CB ALA 395 3.20 7 0.25 0.92 ++ *++ + + VdW HD13 LEU 62 - CB ALA 395 2.60 7 0.11 0.40 ++ ++*++ VdW CD2 LEU 62 - HB2 PRO 112 2.60 6 0.12 0.63 * + + + ++ VdW CD2 LEU 62 - O PHE 392 2.90 7 0.21 0.93 + +++ + * + VdW CD2 LEU 62 - N ALA 395 3.05 8 0.26 0.84 + +++ + *++ VdW CD2 LEU 62 - CB ALA 395 3.20 6 0.21 0.85 + + + +* + VdW CB ALA 63 - O ARG 348 2.90 7 0.14 0.65 + ++ + * + + VdW CB ALA 63 - HB3 PHE 350 2.60 6 0.14 0.61 * + + ++ + VdW N GLN 64 - HG2 GLN 64 2.45 13 0.19 0.40 +*+ ++++++ ++ + + VdW H GLN 64 - CG GLN 64 2.55 15 0.26 0.41 +++ ++*+++ ++++++ VdW H GLN 64 - HG2 GLN 64 1.95 13 0.27 0.64 +++ ++++++ *+ + + VdW CD1 LEU 65 - CA PHE 92 3.20 6 0.12 0.38 + + + +* + VdW CD2 LEU 65 - HG3 GLN 91 2.60 7 0.11 0.40 +++ * + + + VdW C LEU 65 - SG CYS 69 3.30 11 0.20 0.46 ++ ++ ++ + * + ++ VdW O LEU 65 - SG CYS 69 3.10 18 0.46 0.76 +*+++++ ++ +++++++++ VdW CA ARG 66 - SG CYS 69 3.40 10 0.22 0.53 + ++ ++ ++++ * VdW HA ARG 66 - SG CYS 69 2.80 14 0.38 0.77 +++ ++ ++* ++++ ++ VdW CG GLU 67 - C GLU 67 2.90 19 0.23 0.24 ++++++++++ +++*+++++ VdW CG GLU 67 - N LEU 68 3.05 13 0.24 0.40 + *+ ++ + + ++++++ VdW HG3 GLU 67 - C GLU 67 2.50 9 0.22 0.50 + + *+ + ++++ VdW CA LEU 68 - CD1 LEU 68 3.00 10 0.14 0.26 +* + + +++++ + VdW HA LEU 68 - CD1 LEU 68 2.60 11 0.19 0.48 ++ + + ++++* ++ VdW O LEU 68 - HG2 GLN 71 2.30 6 0.11 0.43 ++ + * ++ VdW H CYS 69 - SG CYS 69 2.75 6 0.15 0.54 + *++ ++ VdW HA CYS 69 - CD1 LEU 87 2.60 6 0.09 0.25 + ++* + + VdW CB CYS 69 - CD1 LEU 73 3.20 9 0.14 0.46 ++ *+++ +++ VdW HB3 CYS 69 - CD1 LEU 73 2.60 12 0.29 0.63 ++++ ++++ + *++ VdW SG CYS 69 - HB2 LEU 87 2.80 6 0.12 0.55 * ++ + + + VdW SG CYS 69 - CD1 LEU 87 3.40 7 0.17 0.69 + ++ + + + * VdW SG CYS 69 - CD2 LEU 87 3.40 7 0.18 0.71 ++ ++ * + + VdW O CYS 69 - N LEU 73 2.75 10 0.20 0.34 ++ + + *+ + + ++ VdW O CYS 69 - H LEU 73 1.80 11 0.19 0.37 + + ++ *+ + ++ ++ VdW HA ARG 70 - H ARG 74 1.95 14 0.24 0.54 +++ ++ +++++ + *+ + VdW CG ARG 70 - CD PRO 75 3.20 13 0.19 0.32 +++ *++++ + ++ ++ VdW HG3 ARG 70 - CD PRO 75 2.60 9 0.15 0.40 ++ +++ + +*+ VdW HG3 ARG 70 - HD3 PRO 75 2.00 16 0.26 0.64 +++ ++ +++++++ +*++ VdW C ARG 70 - N TRP 72 2.95 8 0.15 0.29 + ++ ++ *++ VdW C ARG 70 - H TRP 72 2.45 12 0.21 0.42 + + ++ ++ + ++*++ VdW O ARG 70 - N ARG 74 2.75 15 0.26 0.50 + +++ + +++ *++ ++++ VdW H GLN 71 - CG GLN 71 2.55 11 0.22 0.41 *++ + +++ + +++ VdW H GLN 71 - HG2 GLN 71 1.95 7 0.12 0.65 + * + + + ++ VdW CG TRP 72 - C TRP 72 2.90 20 0.24 0.26 +++++++*++++++++++++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.64 0.76 +++++++++++++++++*++ VdW CD1 TRP 72 - O TRP 72 2.90 20 0.41 0.64 ++*+++++++++++++++++ VdW CD1 TRP 72 - N LEU 73 3.05 7 0.13 0.34 + + * + + + + VdW CD1 TRP 72 - HG LEU 73 2.60 11 0.19 0.41 + *+ +++++ +++ VdW HD1 TRP 72 - C TRP 72 2.50 19 0.52 0.82 ++++++++*+++++ +++++ VdW HD1 TRP 72 - O TRP 72 2.30 20 0.73 1.00 *+++++++++++++++++++ VdW CZ3 TRP 72 - HB3 LEU 87 2.60 8 0.17 0.44 ++ + + ++ + * VdW CZ3 TRP 72 - HG LEU 87 2.60 6 0.15 0.72 + * + + + + VdW CZ3 TRP 72 - CD1 LEU 87 3.20 8 0.14 0.38 + *++ + + + + VdW CH2 TRP 72 - HB3 LEU 87 2.60 11 0.18 0.52 + +++ * ++ ++ ++ VdW CH2 TRP 72 - CD1 LEU 87 3.20 7 0.15 0.47 *+ + + + + + VdW HB3 LEU 73 - SD MET 83 2.80 10 0.16 0.43 + + +++ ++ + * + VdW HA ARG 74 - CD PRO 75 2.60 16 0.23 0.31 + + +* +++++++++++ + VdW C ARG 74 - H GLU 76 2.45 6 0.17 0.33 + + + + + * VdW O ARG 74 - HE2 MET 83 2.30 8 0.14 0.44 ++++ ++ * + VdW HA PRO 75 - CE MET 83 2.60 10 0.19 0.37 +++ +++ *++ + VdW CB ARG 78 - H SER 79 2.55 19 0.36 0.40 ++++++++++++ ++++++* VdW H LYS 80 - CE LYS 80 2.55 7 0.12 0.45 +++ +* + + VdW CA LYS 80 - HG LEU 84 2.60 13 0.20 0.35 ++ + + ++++ + *+ ++ VdW O LYS 80 - N LEU 84 2.75 7 0.12 0.40 * + ++ + + + VdW O LYS 80 - CB LEU 84 2.90 6 0.13 0.32 ++ + * ++ VdW O LYS 80 - CG LEU 84 2.90 6 0.14 0.40 * ++ + ++ VdW O LYS 80 - HG LEU 84 2.30 15 0.30 0.58 *+ ++++ ++++++ + ++ VdW O GLU 81 - HB3 GLU 85 2.30 16 0.36 0.60 ++++ +++ ++*+++++ + VdW CG GLN 82 - C GLN 82 2.90 8 0.11 0.24 *+ + ++ ++ + VdW CB MET 83 - CE MET 83 3.00 10 0.16 0.25 ++* +++ + + + + VdW HB2 MET 83 - CE MET 83 2.60 7 0.15 0.37 * ++ + + + + VdW HB2 MET 83 - HE3 MET 83 2.00 6 0.09 0.36 * +++ + + VdW O MET 83 - CG LEU 86 2.90 6 0.15 0.64 ++ + + *+ VdW O MET 83 - HG LEU 86 2.30 7 0.18 0.78 ++ ++ + *+ VdW O MET 83 - CD1 LEU 86 2.90 12 0.29 0.66 +++* + ++ ++ + ++ VdW CA LEU 84 - CD2 LEU 87 3.20 6 0.14 0.63 *+ + + + + VdW HA LEU 84 - CD2 LEU 87 2.60 7 0.21 0.94 +*+ + + + + VdW O LEU 84 - CG1 VAL 88 2.90 9 0.21 0.75 + + + +++ * ++ VdW CG GLU 85 - C GLU 85 2.90 12 0.17 0.24 +* +++ ++++ ++ + VdW N LEU 87 - CD1 LEU 87 3.05 9 0.24 0.66 +* +++ + + ++ VdW N LEU 87 - CD2 LEU 87 3.05 8 0.18 0.66 *+ ++ + + + + VdW H LEU 87 - CD2 LEU 87 2.55 6 0.13 0.41 ++ + * + + VdW HG LEU 87 - H VAL 88 1.95 6 0.13 0.62 + + * + + + VdW O LEU 87 - C VAL 88 2.80 12 0.23 0.38 ++ ++ + +++ +*++ VdW O LEU 87 - N GLN 91 2.75 13 0.31 0.71 +* +++++ + ++++ + VdW O LEU 87 - H GLN 91 1.80 10 0.18 0.53 +++ + + + *+ + + VdW CG2 VAL 88 - C VAL 88 2.90 6 0.10 0.31 + + ++ + * VdW O VAL 88 - N PHE 92 2.75 8 0.17 0.66 + * +++ + ++ VdW O VAL 88 - H PHE 92 1.80 6 0.12 0.50 + * + + ++ VdW O VAL 88 - CB PHE 92 2.90 6 0.15 0.67 + + * +++ VdW HA LEU 89 - CD PRO 112 2.60 9 0.20 0.62 ++ +++ +* + + VdW HG LEU 89 - HA SER 111 2.00 6 0.14 0.68 +* + + + + VdW CD2 LEU 89 - CD PRO 112 3.20 9 0.19 0.63 + ++++ + +* + VdW CD2 LEU 89 - HD2 PRO 112 2.60 7 0.21 0.69 * +++ + + + VdW O LEU 89 - CA SER 111 2.90 6 0.17 0.75 + +++ + * VdW O LEU 89 - HA SER 111 2.30 8 0.25 0.97 ++ *++ + + + VdW HA GLU 90 - O GLY 110 2.30 7 0.12 0.45 + +++ * + + VdW CD GLN 91 - C GLN 91 3.00 10 0.19 0.49 ++*+ ++ + + ++ VdW CD GLN 91 - O GLN 91 2.80 6 0.14 0.34 ++++* + VdW O GLN 91 - C PHE 92 2.80 18 0.28 0.45 ++++++++++ +++*++++ VdW O GLN 91 - N LEU 93 2.75 8 0.14 0.45 ++++ * +++ VdW O GLN 91 - N GLY 94 2.75 17 0.29 0.46 +++++++++ +++*++++ VdW O GLN 91 - H GLY 94 1.80 15 0.26 0.45 +++ *++++ ++++++ + VdW CG PHE 92 - HB3 PRO 112 2.60 6 0.14 0.77 +++ + + * VdW CD1 PHE 92 - C PHE 92 3.10 7 0.15 0.61 + +++ * + + VdW CZ PHE 92 - CA ALA 116 3.20 12 0.26 0.74 ++ + +++ ++*+++ VdW CZ PHE 92 - HA ALA 116 2.60 12 0.27 0.88 ++ ++++ ++*+++ VdW CZ PHE 92 - CB ALA 116 3.20 19 0.47 0.95 +++++++++++++*+++++ VdW CZ PHE 92 - HB1 ALA 116 2.60 6 0.16 0.73 +++ +* + VdW CZ PHE 92 - HB2 ALA 116 2.60 8 0.17 0.56 ++ * + ++ ++ VdW HZ PHE 92 - HA ALA 116 2.00 10 0.17 0.54 ++ +++ ++++ * VdW HZ PHE 92 - CB ALA 116 2.60 10 0.25 0.86 +++ + ++* ++ + VdW HZ PHE 92 - HB2 ALA 116 2.00 6 0.14 0.70 + + +* + + VdW CE2 PHE 92 - CB ALA 116 3.20 7 0.15 0.70 ++ + + * + + VdW CD2 PHE 92 - C PHE 92 3.10 7 0.15 0.68 ++ + + * + + VdW O PHE 92 - C LEU 93 2.80 6 0.17 0.37 + + * ++ + VdW O PHE 92 - N ALA 95 2.75 20 0.36 0.58 ++++++++*+++++++++++ VdW O PHE 92 - H ALA 95 1.80 14 0.26 0.58 ++++ +++*+ +++ ++ VdW O LEU 93 - CD2 LEU 96 2.90 6 0.08 0.30 +++ * + + VdW O LEU 93 - CD GLN 101 2.80 6 0.11 0.54 + + + ++ * VdW O LEU 93 - OE1 GLN 101 2.60 6 0.13 0.82 + * + ++ + VdW O GLY 94 - NE2 GLN 101 2.75 7 0.16 0.76 * ++++ + + VdW O ALA 95 - C LEU 96 2.80 7 0.13 0.42 + ++ *+ + + VdW O ALA 95 - O LEU 96 2.60 7 0.20 0.78 + +* ++ + + VdW N LEU 96 - CD1 LEU 96 3.05 8 0.17 0.50 ++ *+ ++ + + VdW H LEU 96 - CD1 LEU 96 2.55 9 0.19 0.68 +++ ++ *+ + + VdW HB3 LEU 96 - HD2 PRO 97 2.00 6 0.14 0.54 +* ++ + + VdW O LEU 96 - NE2 GLN 101 2.75 17 0.55 0.99 ++*++++++++++ + ++ + VdW O LEU 96 - HE21 GLN 101 1.80 7 0.14 0.31 * +++ ++ + VdW CB PRO 97 - CD PRO 98 3.20 13 0.22 0.31 + + ++ ++ +++ *+ ++ VdW CB PRO 97 - HD2 PRO 98 2.60 18 0.31 0.41 + ++++++++ ++++*++++ VdW HB2 PRO 97 - CD PRO 98 2.60 12 0.21 0.36 + + ++ ++ ++ *+ ++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.42 0.59 +++++++++++++++*++++ VdW CG PRO 97 - HG13 ILE 100 2.60 6 0.12 0.43 + +*+ + + VdW HG2 PRO 97 - HG13 ILE 100 2.00 7 0.16 0.53 * ++++ + + VdW O PRO 97 - HG2 GLN 101 2.30 6 0.14 0.68 * + + ++ + VdW O GLU 99 - HG2 ARG 103 2.30 7 0.14 0.36 ++ + + *++ VdW CG2 ILE 100 - CB VAL 119 3.20 6 0.11 0.32 + + + + + * VdW CG2 ILE 100 - HB VAL 119 2.60 9 0.20 0.54 + +++++ + * + VdW HA GLN 101 - CG1 VAL 104 2.60 7 0.13 0.41 + + + + *++ VdW HA GLN 101 - CG2 VAL 104 2.60 7 0.13 0.61 +++* + + + VdW O ARG 103 - NE2 GLN 107 2.75 6 0.12 0.29 ++ + + + * VdW HA GLN 105 - CD GLN 105 2.50 7 0.16 0.33 +++* + + + VdW N ARG 108 - CD PRO 109 3.05 10 0.21 0.53 +* +++ + + +++ VdW CB PRO 109 - H GLY 110 2.55 7 0.11 0.24 + + + +++* VdW HG2 PRO 109 - H GLY 110 1.95 12 0.19 0.29 + + ++*+ ++ ++ + + VdW HG3 PRO 109 - HD13 LEU 118 2.00 7 0.12 0.47 ++ ++ + * + VdW CB SER 111 - HD2 PRO 112 2.60 8 0.15 0.42 + ++++ + *+ VdW O SER 111 - N ALA 115 2.75 10 0.23 0.56 ++ ++++ + * ++ VdW O SER 111 - CB ALA 115 2.90 12 0.30 0.69 ++ +++* + +++++ VdW O PRO 112 - CB ALA 116 2.90 8 0.17 0.59 ++ + + + *++ VdW H GLU 113 - HG3 GLU 113 1.95 7 0.12 0.52 ++++ + + * VdW N GLU 114 - CG GLU 114 2.85 6 0.16 0.20 ++ + ++ * VdW N GLU 114 - HG2 GLU 114 2.45 10 0.18 0.39 ++ + ++* + +++ VdW H GLU 114 - HG2 GLU 114 1.95 7 0.14 0.49 *+ + + +++ VdW O GLU 114 - CG LEU 118 2.90 9 0.21 0.67 ++ ++ + * +++ VdW O GLU 114 - HG LEU 118 2.30 8 0.17 0.55 + +* + + + + + VdW O GLU 114 - CD2 LEU 118 2.90 13 0.33 0.56 +++++ + ++ + + *++ VdW CB ALA 116 - CA ALA 395 3.20 8 0.20 0.92 +++ ++ + *+ VdW O ALA 116 - CG2 VAL 119 2.90 6 0.09 0.43 + * + + ++ VdW O ALA 117 - N VAL 119 2.75 6 0.12 0.47 +++* + + VdW H LEU 118 - CG LEU 118 2.55 15 0.23 0.35 +* ++ +++++++ ++++ VdW H LEU 118 - HG LEU 118 1.95 9 0.19 0.53 + ++ ++ + + *+ VdW H VAL 119 - CG1 VAL 119 2.55 6 0.12 0.42 + +* + + + VdW CG2 VAL 119 - C VAL 119 2.90 6 0.11 0.31 + +* + + + VdW CG2 VAL 119 - N ASP 120 3.05 9 0.20 0.58 +++ + + ++*+ VdW O LEU 122 - C ARG 123 2.80 11 0.20 0.48 ++ * ++ ++ + +++ VdW O LEU 122 - N ARG 124 2.75 13 0.22 0.62 +++ + + ++ ++ +*++ VdW HA ASP 337 - CD PRO 338 2.60 9 0.18 0.27 +++ + * ++ ++ VdW HA PRO 340 - HA TRP 372 2.00 6 0.13 0.29 * ++ + + + VdW CB ALA 343 - HB2 GLN 371 2.60 6 0.12 0.42 + +*+ ++ VdW HG2 ARG 344 - CE3 TRP 372 2.60 11 0.20 0.45 + *++++ ++ + ++ VdW HA PHE 347 - CB LEU 368 2.60 8 0.14 0.52 *+ +++ + + + VdW HA PHE 347 - CG LEU 368 2.60 9 0.17 0.56 + * +++ + + ++ VdW HA PHE 347 - CD1 LEU 368 2.60 6 0.15 0.63 ++ *+ + + VdW HB2 PHE 347 - CB LEU 368 2.60 9 0.21 0.59 *++ + +++ ++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 12 0.26 0.61 + +++ ++ +++ *++ VdW HD1 PHE 347 - HB2 LEU 368 2.00 7 0.15 0.45 + + ++ * + + VdW CE1 PHE 347 - HB3 LEU 365 2.60 6 0.12 0.67 + + * +++ VdW CZ PHE 347 - HB2 LEU 387 2.60 6 0.12 0.54 * + ++ + + VdW HZ PHE 347 - C LEU 387 2.50 10 0.20 0.46 + +++ ++ * + ++ VdW HZ PHE 347 - N VAL 388 2.45 8 0.22 0.75 + +++ + + *+ VdW HZ PHE 347 - CA VAL 388 2.60 10 0.21 0.72 ++ ++++ + +*+ VdW HZ PHE 347 - HA VAL 388 2.00 9 0.22 0.59 *+ + ++ + +++ VdW C ARG 348 - H PHE 350 2.45 11 0.21 0.46 +++ + +++ + * + + VdW CG PHE 350 - N HIS 351 3.05 11 0.25 0.58 ++ *++ + +++ ++ VdW CG PHE 350 - H HIS 351 2.55 7 0.16 0.52 ++ ++ + + * VdW CD1 PHE 350 - N HIS 351 3.05 6 0.12 0.60 ++ + + + * VdW HD1 PHE 350 - O ALA 361 2.30 6 0.12 0.53 ++* + + + VdW CE1 PHE 350 - C ALA 361 3.10 6 0.18 0.83 +++ * + + VdW CE1 PHE 350 - O ALA 361 2.90 6 0.12 0.48 ++ * + + + VdW HE1 PHE 350 - N LEU 362 2.45 6 0.18 0.90 +++ * + + VdW CZ PHE 350 - CA ALA 361 3.20 6 0.16 0.71 + + + +*+ VdW CZ PHE 350 - HA ALA 361 2.60 6 0.19 0.89 + + + +*+ VdW CZ PHE 350 - CB ALA 361 3.20 10 0.22 0.67 + *+ +++ ++++ VdW CG HIS 351 - C HIS 351 2.90 11 0.19 0.25 * +++++ + ++ ++ VdW CD2 HIS 351 - C HIS 351 3.10 11 0.24 0.55 ++ + +++ + ++* + VdW CD2 HIS 351 - O HIS 351 2.90 6 0.18 0.74 + + + + *+ VdW HA TYR 352 - CB ALA 361 2.60 8 0.27 1.40 + +++ + + +* VdW OH TYR 352 - CD1 ILE 400 2.90 6 0.13 0.62 + ++* ++ VdW C GLU 353 - N ALA 355 2.95 6 0.15 0.61 + + + * ++ VdW C GLU 353 - H ALA 355 2.45 6 0.17 0.75 + + + * ++ VdW O GLU 353 - N ALA 355 2.75 6 0.16 1.21 + + + * ++ VdW CG2 THR 356 - C THR 356 2.90 12 0.19 0.32 + *+ +++ + +++++ VdW CG2 THR 356 - CB GLU 360 3.20 9 0.22 0.61 + ++++ * ++ + VdW CG2 THR 356 - HB2 GLU 360 2.60 6 0.18 0.87 + +++ + * VdW CG2 THR 356 - CG GLU 360 3.20 7 0.12 0.34 + *+ + + + + VdW HB2 PRO 358 - CB ALA 416 2.60 7 0.16 0.61 +++ + + + * VdW CG PRO 358 - O ALA 416 2.90 7 0.18 0.54 ++ * + +++ VdW HG2 PRO 358 - NE2 GLN 359 2.45 6 0.13 0.34 + * + + + + VdW HG2 PRO 358 - O ALA 416 2.30 9 0.19 0.59 + + + ++ + + *+ VdW HG3 PRO 358 - CG2 VAL 419 2.60 11 0.27 0.76 + + ++*++ ++++ VdW O PRO 358 - C GLN 359 2.80 6 0.12 0.35 + + + ++ * VdW O PRO 358 - N ALA 361 2.75 6 0.12 0.58 + + + ++ * VdW H GLN 359 - HE21 GLN 359 1.90 12 0.24 0.73 +++ + +++ + ++ +* VdW CD GLN 359 - HA ALA 417 2.50 6 0.11 0.44 * + + + + + VdW OE1 GLN 359 - HA ALA 417 2.30 6 0.14 0.51 + + * + + + VdW NE2 GLN 359 - C ALA 416 2.95 7 0.14 0.58 + + + * +++ VdW NE2 GLN 359 - O ALA 416 2.75 9 0.22 0.68 +++ * ++++ + VdW O GLN 359 - N ALA 363 2.75 15 0.41 0.76 + + ++++++ + *++ +++ VdW O GLN 359 - H ALA 363 1.80 14 0.34 0.68 + + ++++++ + *++ ++ VdW CG GLU 360 - C GLU 360 2.90 9 0.12 0.24 + +++ +*+++ VdW HG3 GLU 360 - C GLU 360 2.50 6 0.14 0.49 + +* + + + VdW O GLU 360 - CG GLN 364 2.90 9 0.26 0.58 +++++ + ++* VdW O GLU 360 - HG2 GLN 364 2.30 6 0.13 0.47 +++ * + + VdW O GLU 360 - HG3 GLN 364 2.30 6 0.15 0.64 + + + +*+ VdW O GLU 360 - NE2 GLN 364 2.75 10 0.19 0.62 +++ + ++ + *++ VdW O ALA 361 - CG LEU 365 2.90 6 0.19 0.98 + * + ++ + VdW CG LEU 362 - CG PHE 392 3.20 9 0.25 0.67 + *++++ + + + VdW CG LEU 362 - CD1 PHE 392 3.20 10 0.26 0.98 + + *++++ + ++ VdW CG LEU 362 - HB2 PRO 412 2.60 7 0.20 0.63 ++ + ++ + * VdW HG LEU 362 - CG PHE 392 2.60 8 0.29 1.14 + *++++ + + VdW CD1 LEU 362 - CB PHE 392 3.20 10 0.26 0.83 ++ +++ + +*+ + VdW CD1 LEU 362 - HB2 PHE 392 2.60 7 0.20 0.82 ++ + + + + * VdW CD1 LEU 362 - CG PHE 392 3.20 13 0.32 0.74 *++ + +++ + ++ +++ VdW CD1 LEU 362 - CD1 PHE 392 3.20 13 0.33 0.86 ++ ++++++ ++ ++* VdW CD1 LEU 362 - HB2 PRO 412 2.60 7 0.19 0.73 ++ + +* ++ VdW HD11 LEU 362 - CB PHE 392 2.60 6 0.16 1.06 + + + +*+ VdW HD12 LEU 362 - HB2 PHE 392 2.00 6 0.13 0.52 +*+ + + + VdW HD13 LEU 362 - CD1 PHE 392 2.60 7 0.21 0.96 + +++ ++* VdW CD2 LEU 362 - CG PHE 392 3.20 7 0.15 0.66 + + * + ++ + VdW CD2 LEU 362 - CD1 PHE 392 3.20 9 0.24 0.88 ++ +++ *+ ++ VdW CD2 LEU 362 - CE1 PHE 392 3.20 7 0.23 0.77 + +++ +* + VdW CD2 LEU 362 - CZ PHE 392 3.20 6 0.14 0.48 +++ + * + VdW HD22 LEU 362 - CD1 PHE 392 2.60 6 0.19 0.93 + + + + +* VdW HD23 LEU 362 - CE1 PHE 392 2.60 7 0.17 0.84 +++ +*+ + VdW N GLN 364 - HG2 GLN 364 2.45 10 0.15 0.39 ++ ++*+ +++ + VdW HA LEU 365 - CD1 LEU 368 2.60 6 0.10 0.35 *+ + ++ + VdW C LEU 365 - SG CYS 369 3.30 8 0.14 0.34 + + ++ ++ +* VdW O LEU 365 - SG CYS 369 3.10 16 0.40 0.68 +++ ++++ ++ +*++++ + VdW CA ARG 366 - SG CYS 369 3.40 17 0.34 0.53 ++ ++++++++++++++ * VdW HA ARG 366 - SG CYS 369 2.80 18 0.52 0.75 +++ ++++++++++++++ * VdW CG GLU 367 - C GLU 367 2.90 11 0.20 0.24 + +++ ++ +* ++ + VdW HG3 GLU 367 - C GLU 367 2.50 6 0.13 0.36 +++ * + + VdW CA LEU 368 - CD1 LEU 368 3.00 10 0.15 0.27 + + + +*+ ++ ++ VdW HA LEU 368 - CD1 LEU 368 2.60 9 0.18 0.48 + + ++ ++ +*+ VdW O LEU 368 - HG2 GLN 371 2.30 7 0.13 0.44 + ++ ++ +* VdW N CYS 369 - SG CYS 369 3.05 13 0.19 0.26 ++ ++ +++ + +++ * + VdW H CYS 369 - SG CYS 369 2.75 17 0.40 0.56 ++ ++++*+++++++++ + VdW CB CYS 369 - CD1 LEU 373 3.20 15 0.34 0.57 ++ + ++++++ *+++++ VdW CB CYS 369 - CD1 LEU 387 3.20 9 0.14 0.41 + ++ ++ ++*+ VdW HB3 CYS 369 - CD1 LEU 373 2.60 11 0.24 0.64 +++++++ +++* VdW HB3 CYS 369 - CD1 LEU 387 2.60 6 0.11 0.46 ++ + +*+ VdW HB3 CYS 369 - CD2 LEU 387 2.60 8 0.18 0.48 * + + + ++ + + VdW SG CYS 369 - CD1 LEU 387 3.40 9 0.17 0.52 * +++ + + +++ VdW SG CYS 369 - CD2 LEU 387 3.40 7 0.19 0.70 ++ ++ + + * VdW SG CYS 369 - CG2 VAL 388 3.40 7 0.15 0.62 + + + + + + * VdW O CYS 369 - N TRP 372 2.75 10 0.20 0.42 +++ +++ ++*+ VdW O CYS 369 - N LEU 373 2.75 16 0.29 0.46 + ++++++++++++ + +* VdW O CYS 369 - H LEU 373 1.80 16 0.28 0.45 + ++++++++++++ + +* VdW HA ARG 370 - H ARG 374 1.95 8 0.14 0.31 + + ++ * + + + VdW CG ARG 370 - CD PRO 375 3.20 9 0.15 0.37 + +++ ++ + * + VdW HG3 ARG 370 - CD PRO 375 2.60 13 0.23 0.58 + ++*+ ++ + + ++ ++ VdW HG3 ARG 370 - HD3 PRO 375 2.00 16 0.32 0.58 + ++*++++++ ++ ++ ++ VdW C ARG 370 - H TRP 372 2.45 10 0.18 0.39 + ++++++ ++ * VdW O ARG 370 - N ARG 374 2.75 15 0.27 0.48 +++ +++*+ + +++ +++ VdW H GLN 371 - CG GLN 371 2.55 10 0.24 0.41 + + *+ +++ + ++ VdW H GLN 371 - HG2 GLN 371 1.95 9 0.13 0.34 + + ++ +*+ ++ VdW CG TRP 372 - C TRP 372 2.90 20 0.24 0.25 +++*++++++++++++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.63 0.72 ++++++++++*+++++++++ VdW CD1 TRP 372 - O TRP 372 2.90 20 0.40 0.59 +++++++++++++++*++++ VdW CD1 TRP 372 - HG LEU 373 2.60 11 0.23 0.43 + +++ ++* ++++ VdW NE1 TRP 372 - HG LEU 373 2.45 12 0.20 0.37 +*++++++ + +++ VdW HD1 TRP 372 - C TRP 372 2.50 20 0.51 0.72 ++++++++++*+++++++++ VdW HD1 TRP 372 - O TRP 372 2.30 20 0.73 0.97 +++++++++++++++*++++ VdW CZ3 TRP 372 - HB3 LEU 387 2.60 7 0.11 0.46 +++ + *+ + VdW CZ3 TRP 372 - CG LEU 387 3.20 8 0.13 0.39 ++ ++ * +++ VdW CZ3 TRP 372 - HG LEU 387 2.60 8 0.22 0.67 ++ ++ * +++ VdW CZ3 TRP 372 - CD1 LEU 387 3.20 11 0.19 0.46 + +++ *+ +++++ VdW CH2 TRP 372 - HB3 LEU 387 2.60 11 0.26 0.57 + ++* + ++ + + ++ VdW HH2 TRP 372 - HB3 LEU 387 2.00 15 0.26 0.46 *++++ ++++ + ++ +++ VdW HB3 LEU 373 - SD MET 383 2.80 6 0.15 0.44 *+ + + + + VdW HA ARG 374 - CD PRO 375 2.60 17 0.24 0.31 ++ +*++++++ +++++++ VdW O ARG 374 - HE1 MET 383 2.30 7 0.13 0.51 + + * + ++ + VdW O ARG 374 - HE3 MET 383 2.30 7 0.13 0.43 + + ++++ * VdW HA PRO 375 - CE MET 383 2.60 13 0.21 0.34 ++++ ++* + + ++++ VdW HB3 PRO 375 - CA LYS 380 2.60 10 0.16 0.36 + ++++ ++ ++* VdW CB ARG 378 - N SER 379 2.85 6 0.18 0.20 ++ + * ++ VdW CB ARG 378 - H SER 379 2.55 20 0.36 0.40 ++++++++++++++*+++++ VdW H LYS 380 - HG3 LYS 380 1.95 6 0.10 0.45 ++ + +* + VdW O LYS 380 - HB2 LEU 384 2.30 11 0.23 0.50 +++ ++ + +*+ ++ VdW O LYS 380 - HG LEU 384 2.30 6 0.10 0.38 *+ + ++ + VdW H GLU 381 - CG GLU 381 2.55 7 0.15 0.25 + + + + * ++ VdW O GLU 381 - HB3 GLU 385 2.30 18 0.41 0.60 + ++ ++*++++++++++++ VdW HA MET 383 - CD1 LEU 386 2.60 6 0.11 0.47 + + *+ + + VdW CB MET 383 - CE MET 383 3.00 7 0.14 0.25 + * +++ + + VdW HB2 MET 383 - CE MET 383 2.60 11 0.21 0.41 + +++++++ * + + VdW HB2 MET 383 - HE2 MET 383 2.00 8 0.12 0.37 * ++ ++ + + + VdW O MET 383 - HB3 LEU 386 2.30 8 0.21 0.59 +* + ++ + ++ VdW O MET 383 - CD1 LEU 386 2.90 7 0.14 0.61 + + + +* ++ VdW N LEU 384 - CD1 LEU 384 3.05 11 0.20 0.44 *++ ++ + +++ + + VdW H LEU 384 - CD1 LEU 384 2.55 11 0.17 0.40 ++* ++ + +++ ++ VdW O LEU 384 - CG1 VAL 388 2.90 7 0.15 0.51 ++ + + + * + VdW O GLU 385 - CB LEU 389 2.90 7 0.13 0.45 + ++ + + + * VdW N LEU 387 - CD1 LEU 387 3.05 8 0.20 0.73 ++ ++ + +*+ VdW H LEU 387 - CD1 LEU 387 2.55 8 0.18 0.53 ++ ++ + ++* VdW HG LEU 387 - H VAL 388 1.95 9 0.21 0.50 +++++ + + * + VdW CD2 LEU 387 - N VAL 388 3.05 7 0.14 0.61 ++ *+ + + + VdW CD2 LEU 387 - H VAL 388 2.55 6 0.13 0.51 ++ * +++ VdW O LEU 387 - HB3 GLN 391 2.30 6 0.13 0.53 ++ + * + + VdW CG1 VAL 388 - H LEU 389 2.55 6 0.11 0.50 + + + * + + VdW CG1 VAL 388 - CG PRO 412 3.20 6 0.18 0.64 + * + + + + VdW CG1 VAL 388 - HG3 PRO 412 2.60 7 0.15 0.71 + + + + + + * VdW CG2 VAL 388 - CG PRO 412 3.20 6 0.16 0.65 + + ++* + VdW C VAL 388 - HG3 PRO 412 2.50 6 0.15 0.64 + ++* + + VdW O VAL 388 - N GLN 391 2.75 9 0.18 0.50 + ++ *+ + +++ VdW N LEU 389 - HG3 PRO 412 2.45 9 0.22 0.69 + +++*+ + + + VdW N LEU 389 - HD3 PRO 412 2.45 6 0.14 0.59 +* + + + + VdW CA LEU 389 - CD PRO 412 3.20 8 0.15 0.39 + +++ + + +* VdW CA LEU 389 - HD3 PRO 412 2.60 12 0.35 0.71 +++++ +++ * + + + VdW HA LEU 389 - CD PRO 412 2.60 10 0.21 0.67 + ++ +++ + +*+ VdW HA LEU 389 - HD3 PRO 412 2.00 11 0.29 0.91 + +*+ +++ + + + + VdW CB LEU 389 - HD3 PRO 412 2.60 8 0.18 0.56 * +++++ + + VdW CD GLN 391 - C GLN 391 3.00 6 0.13 0.50 + +* + + + VdW NE2 GLN 391 - O GLN 391 2.75 7 0.20 0.81 + + + +* ++ VdW CB PHE 392 - CB PRO 412 3.20 13 0.23 0.65 +++ + +++ + ++ +*+ VdW CB PHE 392 - HB3 PRO 412 2.60 12 0.33 0.95 +++ + +++ + + +*+ VdW HB2 PHE 392 - CB PRO 412 2.60 6 0.14 0.45 + +++ * + VdW HB3 PHE 392 - HB3 PRO 412 2.00 9 0.22 0.73 +++ * + + + ++ VdW CZ PHE 392 - CD1 LEU 396 3.20 7 0.17 0.63 + ++ + +* + VdW C PHE 392 - N GLY 394 2.95 14 0.31 0.60 ++*++ ++++ + ++ ++ VdW C PHE 392 - H GLY 394 2.45 12 0.34 0.81 ++++ +++ * ++ ++ VdW O PHE 392 - C LEU 393 2.80 12 0.26 0.47 +++ +++ + + + + +* VdW O PHE 392 - N GLY 394 2.75 15 0.53 1.20 ++*+++++++ + ++ ++ VdW O PHE 392 - H GLY 394 1.80 6 0.15 0.97 + + + *+ + VdW O PHE 392 - N ALA 395 2.75 17 0.37 0.73 +++++*++++ +++ ++++ VdW O PHE 392 - H ALA 395 1.80 12 0.25 0.73 + ++*+ ++ ++ ++ + VdW O LEU 393 - NE2 GLN 401 2.75 9 0.20 0.64 ++ + + +++ +* VdW HA LEU 396 - CD PRO 397 2.60 10 0.17 0.27 ++ +++ + *+ ++ VdW CB LEU 396 - CG GLN 401 3.20 7 0.12 0.30 * + + + ++ + VdW HB3 LEU 396 - CG GLN 401 2.60 11 0.28 0.73 + + ++++* + ++ + VdW HB3 LEU 396 - HG3 GLN 401 2.00 9 0.17 0.56 +++ +*++ + + VdW CD1 LEU 396 - HG23 ILE 400 2.60 7 0.16 0.69 ++ + + * ++ VdW CD2 LEU 396 - HD2 PRO 397 2.60 8 0.27 1.12 +++ ++ +* + VdW CD2 LEU 396 - CG2 ILE 400 3.20 14 0.31 0.57 + +*++++ + +++ +++ VdW CD2 LEU 396 - HG23 ILE 400 2.60 6 0.15 0.57 + + + + + * VdW HD21 LEU 396 - HD2 PRO 397 2.00 6 0.16 0.80 + + + + * + VdW HD23 LEU 396 - CG2 ILE 400 2.60 6 0.10 0.52 * + + +++ VdW O LEU 396 - NE2 GLN 401 2.75 18 0.42 0.75 +++++++++ +++ +++++* VdW O LEU 396 - HE21 GLN 401 1.80 9 0.16 0.40 +++++ +* ++ VdW CB PRO 397 - HD2 PRO 398 2.60 7 0.19 0.39 +++ *++ + VdW HB2 PRO 397 - HD2 PRO 398 2.00 10 0.22 0.55 ++++ + *++ ++ VdW CG PRO 397 - CD1 ILE 400 3.20 14 0.30 0.54 *++ +++++ + +++ ++ VdW CG PRO 397 - HD12 ILE 400 2.60 10 0.17 0.42 ++ + +*+ + + ++ VdW HG2 PRO 397 - CD1 ILE 400 2.60 13 0.25 0.56 +++ +++++ + +*+ + VdW CG2 ILE 400 - CB VAL 419 3.20 10 0.15 0.42 + + +++ * +++ + VdW CG2 ILE 400 - HB VAL 419 2.60 7 0.13 0.52 ++ + ++ *+ VdW CG2 ILE 400 - CG2 VAL 419 3.20 10 0.23 0.64 + +++++ + +*+ VdW O ILE 400 - CG1 VAL 404 2.90 6 0.12 0.50 + + * +++ VdW O GLN 401 - N VAL 404 2.75 7 0.15 0.36 *++ +++ + VdW O ARG 403 - NE2 GLN 407 2.75 15 0.34 0.80 + + ++++++ ++*++ + + VdW HA VAL 404 - CD1 LEU 418 2.60 7 0.15 0.45 ++* + + + + VdW CG2 VAL 404 - C VAL 404 2.90 6 0.11 0.26 + *+ ++ + VdW CG2 VAL 404 - N GLN 405 3.05 6 0.13 0.31 *++ +++ VdW CB GLN 407 - CD1 LEU 418 3.20 7 0.15 0.29 + ++ +* + + VdW HB2 GLN 407 - CD1 LEU 418 2.60 7 0.15 0.51 ++ ++ + * + VdW O GLN 407 - C ARG 408 2.80 7 0.10 0.31 ++ ++ * + + VdW N ARG 408 - CD PRO 409 3.05 10 0.21 0.51 +++++ + + +*+ VdW CG PRO 409 - CB ALA 415 3.20 6 0.13 0.38 + * ++ + + VdW HG3 PRO 409 - CB ALA 415 2.60 11 0.22 0.63 ++ +++*++ + + + VdW C PRO 409 - H SER 411 2.45 9 0.16 0.46 + +*+++ + + + VdW H GLU 414 - CG GLU 414 2.55 9 0.18 0.39 +* + ++ +++ + VdW H GLU 414 - HG2 GLU 414 1.95 11 0.18 0.35 + + ++ +*++ ++ + VdW O GLU 414 - CD2 LEU 418 2.90 11 0.26 0.57 ++* + + +++++ + VdW HA ALA 415 - CD1 LEU 418 2.60 6 0.14 0.30 ++ + * ++ VdW O ALA 415 - HG LEU 418 2.30 11 0.25 0.98 + ++ + + + ++ ++* VdW HA ALA 416 - CG1 VAL 419 2.60 8 0.16 0.50 + ++ * ++ ++ VdW O ALA 416 - HG11 VAL 419 2.30 6 0.14 0.70 + ++ * + + VdW H LEU 418 - CG LEU 418 2.55 14 0.25 0.35 +++++ +* +++ +++ + VdW H LEU 418 - HG LEU 418 1.95 14 0.29 0.51 +++++ ++ ++ * +++ + VdW N VAL 419 - CG1 VAL 419 2.85 7 0.13 0.24 + * ++ + + + VdW H VAL 419 - CG1 VAL 419 2.55 12 0.24 0.45 ++ + *++ + ++ +++ VdW CG2 VAL 419 - C VAL 419 2.90 12 0.19 0.33 ++ * +++ + ++ +++ VdW O LEU 422 - C ARG 423 2.80 13 0.22 0.48 + ++++++++*+ ++ VdW O LEU 422 - N ARG 424 2.75 10 0.21 0.54 + +++ ++ +* + + VdW O ARG 423 - CB ARG 424 2.90 6 0.10 0.34 + + ++ *+ Angle PHI ARG 44 -71.00 -51.00 6 3.36 7.43 ++ ++ + * Angle PHI LEU 45 -72.00 -52.00 15 7.88 16.58 +++ ++ ++ + ++++*++ Angle PSI LEU 45 -52.00 -32.00 9 3.44 7.86 +* ++ ++ ++ + Angle PSI CYS 49 -51.00 -5.00 12 7.42 43.15 + ++++ + * ++ +++ Angle PSI PHE 50 120.00 140.00 14 11.84 32.71 ++++ + +++* + ++ ++ Angle PHI HIS 51 -128.00 -90.00 17 14.08 22.65 ++++ +++++++*++++ + Angle PHI TYR 52 -106.00 -68.00 8 4.89 22.10 * +++ ++ ++ Angle PHI ALA 55 -80.00 -58.00 11 8.33 37.01 +++ ++ +++ * ++ Angle PSI ALA 55 -50.00 -30.00 9 4.22 11.63 + ++ * + + ++ + Angle PSI THR 56 -15.00 15.00 9 7.98 27.12 ++ ++ + * +++ Angle PSI PRO 58 -41.00 -31.00 14 15.08 46.55 +++ +++ ++ ++++* + Angle PHI GLN 59 -77.00 -57.00 16 17.52 58.77 ++ +++++ ++++++++* Angle PHI GLU 60 -75.00 -55.00 15 12.17 28.30 + +++ +*+ ++ ++++++ Angle PSI GLU 60 -54.00 -34.00 8 6.46 25.68 +* + + + +++ Angle PHI ALA 61 -72.00 -52.00 7 4.93 25.75 * ++ + + + + Angle PSI ALA 61 -53.00 -33.00 6 3.30 27.43 * + + ++ + Angle PHI LEU 62 -71.00 -51.00 10 8.44 28.33 +++ + ++ *++ + Angle PSI LEU 62 -53.00 -33.00 12 9.97 41.05 ++++ + + ++ +++ * Angle PHI ALA 63 -76.00 -56.00 11 9.00 39.10 ++++ ++ ++++ * Angle PSI ALA 63 -48.00 -28.00 17 21.00 40.89 ++++*++ ++ +++++ +++ Angle PHI GLN 64 -78.00 -58.00 11 12.50 47.45 +++ + + ++ + *++ Angle PSI GLN 64 -51.00 -31.00 11 6.77 20.09 ++ + ++ +* ++++ Angle PHI LEU 65 -71.00 -51.00 8 4.45 11.84 ++ ++ ++ + * Angle PSI LEU 65 -52.00 -32.00 17 14.20 29.04 ++++ +++++ ++++* +++ Angle PHI ARG 66 -76.00 -56.00 15 7.38 18.82 +++ + ++++ +++++*+ Angle PHI GLU 67 -79.00 -59.00 12 6.59 22.98 + ++* + + + +++ ++ Angle PSI LEU 68 -52.00 -32.00 8 3.57 12.22 +++ ++* + + Angle PHI ARG 70 -73.00 -53.00 6 3.64 11.34 + + + + * + Angle PSI GLN 71 -47.00 -17.00 8 3.80 8.93 * ++ + + ++ + Angle PSI VAL 77 -29.00 -5.00 20 9.08 11.37 +++++++*++++++++++++ Angle PHI SER 79 -113.00 -71.00 6 4.59 14.52 + + + ++ * Angle PSI SER 79 155.00 175.00 19 18.87 30.60 +++++++++++++++*+ ++ Angle PSI GLU 81 -50.00 -30.00 16 9.75 22.21 ++++ + + +++++*++++ Angle PHI GLN 82 -76.00 -56.00 20 19.44 33.32 ++++++++++++*+++++++ Angle PHI MET 83 -75.00 -55.00 7 3.73 17.11 + + + ++ *+ Angle PSI MET 83 -52.00 -32.00 13 7.45 14.58 + ++++* ++++ + + + Angle PHI LEU 84 -73.00 -53.00 10 8.84 27.09 ++ + + * +++++ Angle PSI LEU 84 -52.00 -32.00 12 12.00 39.33 ++++ ++ + + + * ++ Angle PHI GLU 85 -75.00 -55.00 7 5.32 22.00 ++ + ++ *+ Angle PSI GLU 85 -54.00 -34.00 15 10.50 27.71 ++++ + + +++++++* + Angle PHI LEU 86 -74.00 -54.00 9 4.31 24.21 + ++ + + + * ++ Angle PSI LEU 86 -51.00 -31.00 13 9.54 23.17 ++++ + + +++ ++*+ Angle PHI LEU 87 -77.00 -57.00 20 32.41 47.06 ++++++++++*+++++++++ Angle PSI LEU 87 -51.00 -31.00 14 14.09 32.07 ++++ +++ +++ *+++ Angle PHI VAL 88 -78.00 -58.00 19 22.85 37.04 ++++++++++ ++++++*++ Angle PSI VAL 88 -55.00 -35.00 8 5.12 33.17 + + + + + +* + Angle PHI LEU 89 -70.00 -50.00 7 5.12 23.52 + *+ ++ + + Angle PHI GLU 90 -73.00 -53.00 11 7.95 38.72 ++ + ++ * + ++++ Angle PSI GLU 90 -52.00 -32.00 12 14.95 43.13 ++ ++* ++ ++ +++ Angle PHI GLN 91 -74.00 -54.00 17 16.43 42.83 ++++++++*+++ +++++ Angle PSI GLN 91 -46.00 -26.00 11 6.13 15.10 ++ +*++ ++ ++ + Angle PHI PHE 92 -74.00 -54.00 19 22.93 42.65 ++++++++++ +++*+++++ Angle PHI LEU 93 -72.00 -52.00 20 12.11 28.59 ++++++++++*+++++++++ Angle PHI GLY 94 -80.00 -56.00 8 5.71 23.00 +*+ +++ ++ Angle PSI PRO 97 132.20 154.90 20 26.70 31.53 +++++++++++++++*++++ Angle PSI PRO 98 -46.00 -28.00 19 13.92 29.02 ++++++++++ +++++*+++ Angle PHI GLU 99 -76.00 -56.00 18 13.97 27.19 ++++ +++++++++++*+ + Angle PHI ILE 100 -73.00 -53.00 20 15.14 22.46 ++*+++++++++++++++++ Angle PSI GLN 101 -51.00 -31.00 13 6.55 12.98 + ++ +++ +++ *++ + Angle PHI ALA 102 -72.00 -52.00 14 7.83 18.11 ++++ + ++ ++* ++++ Angle PHI ARG 103 -73.00 -53.00 18 9.55 17.36 + +++*++++ +++++++++ Angle PSI ARG 103 -53.00 -33.00 8 3.89 13.75 + + + +* +++ Angle PHI GLY 106 -79.00 -59.00 9 5.93 21.31 ++ * ++ +++ + Angle PSI GLY 106 -40.00 -6.00 8 5.99 27.39 ++ + ++* + + Angle PHI GLY 110 58.00 92.00 11 6.19 21.74 ++ + + +++ *+++ Angle PSI PRO 112 -44.00 -28.00 12 6.77 16.39 ++ ++ ++ + + + *++ Angle PHI GLU 113 -75.00 -55.00 9 7.48 23.48 ++ + +++ +*+ Angle PSI GLU 113 -51.00 -31.00 10 6.72 24.33 +++++++ + + * Angle PHI GLU 114 -74.00 -54.00 17 25.39 54.07 ++++ ++*++ +++ +++++ Angle PSI GLU 114 -54.00 -34.00 11 6.88 23.08 + +++++ + +*+ + Angle PHI ALA 115 -76.00 -56.00 12 10.11 25.10 + + +++++ * ++ ++ Angle PHI ALA 116 -73.00 -53.00 7 5.63 21.19 *+ + ++ ++ Angle PSI ALA 116 -50.00 -30.00 8 5.64 18.67 +++ + + +* + Angle PHI ALA 117 -74.00 -54.00 9 5.53 14.73 + +++*+ + + + Angle PSI ALA 117 -50.00 -30.00 11 10.50 31.00 + +*+++ + +++ + Angle PHI LEU 118 -79.00 -59.00 14 11.88 25.34 ++ +++*+ +++++++ Angle PSI ASP 120 -52.00 -32.00 9 5.06 16.84 *+ + + + +++ + Angle PSI LEU 122 -55.00 3.00 9 7.62 21.68 ++ ++ ++ + +* Angle PHI ARG 344 -71.00 -51.00 9 4.82 10.82 + * +++ + ++ + Angle PHI LEU 345 -72.00 -52.00 11 5.79 16.37 +* ++ + + + + +++ Angle PSI LEU 345 -52.00 -32.00 6 3.48 10.53 ++ * + ++ Angle PSI ARG 346 -48.00 -28.00 11 5.80 16.45 +++ ++++ ++ + * Angle PSI PHE 347 -49.00 -29.00 6 2.85 12.09 ++++ * + Angle PSI CYS 349 -51.00 -5.00 15 13.34 36.58 ++ +++++ + + +++ +*+ Angle PHI PHE 350 -112.00 -54.00 11 5.90 15.66 + + +*+ ++ ++ ++ Angle PSI PHE 350 120.00 140.00 17 23.46 40.96 +++ *+++++ + +++++++ Angle PHI HIS 351 -128.00 -90.00 18 34.58 60.05 ++*+++++++ +++++ +++ Angle PSI TYR 352 120.00 140.00 13 13.01 36.84 + + *++++ +++ + ++ Angle PHI GLU 354 -70.00 -50.00 6 13.03 126.91 ++ + *++ Angle PHI ALA 355 -80.00 -58.00 7 6.36 32.48 + ++ + *+ + Angle PSI THR 356 -15.00 15.00 10 8.14 49.20 + + + ++ + + + *+ Angle PSI PRO 358 -41.00 -31.00 17 16.81 42.97 ++ ++++ ++*+++++ +++ Angle PHI GLN 359 -77.00 -57.00 14 13.51 31.86 + +++++++++++ * + Angle PSI GLN 359 -46.00 -26.00 9 8.41 37.28 + + + + + * +++ Angle PHI GLU 360 -75.00 -55.00 15 13.39 42.29 ++ +++++++*+++ + + Angle PHI ALA 361 -72.00 -52.00 6 3.68 16.71 + + * + ++ Angle PHI LEU 362 -71.00 -51.00 14 12.94 33.53 + ++++ + ++ +*++++ Angle PSI LEU 362 -53.00 -33.00 8 6.82 39.77 +++ * ++ + + Angle PHI ALA 363 -76.00 -56.00 10 7.52 48.50 + ++ ++ * ++ + + Angle PSI ALA 363 -48.00 -28.00 7 4.08 25.51 ++ + ++ * + Angle PHI GLN 364 -78.00 -58.00 10 6.00 17.63 ++ + ++ ++ +*+ Angle PSI LEU 365 -52.00 -32.00 7 4.96 20.19 + ++ + + +* Angle PHI ARG 366 -76.00 -56.00 13 6.84 15.98 +++ ++ + ++ ++++* Angle PHI GLU 367 -79.00 -59.00 8 3.96 10.19 +++ + +* ++ Angle PHI ARG 370 -73.00 -53.00 11 6.23 14.55 + + ++ *++ ++++ Angle PSI ARG 370 -51.00 -31.00 6 3.24 8.93 + ++ ++ * Angle PSI GLN 371 -47.00 -17.00 7 4.35 14.61 + +* + + ++ Angle PSI VAL 377 -29.00 -5.00 18 7.26 10.49 ++*+++++ +++++ +++++ Angle PHI SER 379 -113.00 -71.00 7 3.43 10.53 + ++ + + + * Angle PSI SER 379 155.00 175.00 16 16.01 31.37 ++++++ *++++++ +++ Angle PSI GLU 381 -50.00 -30.00 19 11.60 21.38 *+++++++++ +++++++++ Angle PHI GLN 382 -76.00 -56.00 19 15.25 33.57 *+++++++++ +++++++++ Angle PSI GLN 382 -48.00 -28.00 8 3.91 12.59 + + +++ ++* Angle PSI MET 383 -52.00 -32.00 17 8.26 18.36 ++++++++ ++*++++++ Angle PHI GLU 385 -75.00 -55.00 10 5.16 12.76 + + +++++ ++* Angle PSI GLU 385 -54.00 -34.00 10 7.16 17.30 *+ ++ ++ ++++ Angle PSI LEU 386 -51.00 -31.00 9 3.81 11.31 + +++ + + *+ + Angle PHI LEU 387 -77.00 -57.00 20 38.18 44.20 *+++++++++++++++++++ Angle PSI LEU 387 -51.00 -31.00 6 2.80 11.85 + ++ + + * Angle PHI VAL 388 -78.00 -58.00 8 6.55 33.39 +++ ++ *+ + Angle PSI VAL 388 -55.00 -35.00 11 6.60 23.93 + +++ + *+++ + + Angle PHI LEU 389 -70.00 -50.00 9 4.47 16.03 + ++ *+ + +++ Angle PHI GLU 390 -73.00 -53.00 10 7.86 46.69 + + +++++*+ + Angle PSI GLU 390 -52.00 -32.00 17 19.45 50.18 ++++++++++++ *++ ++ Angle PHI GLN 391 -74.00 -54.00 17 16.45 39.74 +++ +++++++++*++ ++ Angle PHI PHE 392 -74.00 -54.00 11 13.68 45.08 + ++++ +*+ ++ + Angle PSI PHE 392 -55.00 -35.00 17 23.44 81.42 +++ ++++++++ +*+ +++ Angle PHI LEU 393 -72.00 -52.00 18 24.32 90.81 ++++++++++ + +*+++++ Angle PSI LEU 393 -49.00 -29.00 6 8.19 34.82 +*+ + + + Angle PHI GLY 394 -80.00 -56.00 8 6.81 27.84 + +*+ ++ + + Angle PSI GLY 394 -46.00 -8.00 6 6.00 42.84 +++ + *+ Angle PSI PRO 397 132.20 154.90 20 21.11 30.54 ++++++++++++*+++++++ Angle PSI PRO 398 -46.00 -28.00 12 9.63 26.99 ++ + ++ ++*++ ++ Angle PHI GLU 399 -76.00 -56.00 11 7.72 24.21 ++++ + + *++ ++ Angle PHI ILE 400 -73.00 -53.00 18 17.28 32.06 +++++*++++++++++ ++ Angle PHI GLN 401 -71.00 -51.00 6 4.92 17.96 +++* + + Angle PSI GLN 401 -51.00 -31.00 16 9.20 18.61 + ++ +++++*+++++++ Angle PHI ALA 402 -72.00 -52.00 12 8.03 17.77 ++++ +++ + *++ + Angle PHI ARG 403 -73.00 -53.00 9 4.42 12.47 + ++ ++ *+ ++ Angle PHI GLY 406 -79.00 -59.00 6 2.65 8.72 ++ * +++ Angle PSI PRO 412 -44.00 -28.00 9 4.85 16.67 + ++ +++ ++ * Angle PHI GLU 414 -74.00 -54.00 10 7.55 36.59 *++ ++ +++ + + Angle PSI LEU 422 -55.00 3.00 9 8.52 23.16 + *+++++ + + 571 violated distance constraints. 143 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 1.13 +/- 0.49 A (0.75..3.16 A; 20 structures) Average heavy atom RMSD to mean : 1.51 +/- 0.51 A (1.11..3.60 A; 20 structures)