Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1337.27 407 0.2469 7.67 862 443.9 1.27 9110.5176 64.82 2 1346.06 412 0.2480 7.52 828 433.2 1.28 9510.5105 68.29 3 1352.28 419 0.2474 7.51 841 445.1 1.26 10011.2196 69.52 4 1353.49 424 0.2490 7.50 869 456.4 1.24 96 8.9983 40.23 5 1356.68 414 0.2473 7.53 849 442.3 1.36 9411.4949 67.41 6 1358.61 424 0.2469 7.69 853 452.0 1.28 9611.5960 65.52 7 1361.05 420 0.2489 7.79 858 451.8 1.30 8710.0895 47.43 8 1361.80 410 0.2499 7.36 881 459.0 1.27 93 9.3233 39.75 9 1364.07 429 0.2474 7.38 885 466.7 1.52 105 8.5031 33.66 10 1364.81 406 0.2487 7.55 851 445.1 1.35 9111.3876 67.52 11 1366.67 414 0.2484 7.44 856 447.4 1.34 8911.7251 70.56 12 1366.74 403 0.2460 6.22 881 463.3 1.32 11811.0863 45.86 13 1367.26 426 0.2514 7.42 816 438.4 1.24 92 9.2877 36.57 14 1368.60 424 0.2493 7.51 893 462.7 1.33 95 9.3688 36.69 15 1370.45 433 0.2519 7.41 865 454.5 1.44 92 8.3148 34.08 16 1370.82 404 0.2453 6.11 884 465.6 1.50 10112.5271 46.03 17 1371.35 431 0.2515 7.50 886 455.0 1.33 105 9.0150 38.72 18 1376.23 419 0.2477 7.47 873 464.1 1.37 9711.3647 64.35 19 1376.98 422 0.2494 7.62 826 449.9 1.34 8411.4574 69.93 20 1383.98 418 0.2506 7.48 843 459.2 1.45 92 8.7215 37.45 Ave 1363.76 418 0.2486 7.38 860 452.8 1.34 9610.3255 52.22 +/- 10.69 9 0.0018 0.42 21 9.3 0.08 7 1.2489 14.35 Min 1337.27 403 0.2453 6.11 816 433.2 1.24 84 8.3148 33.66 Max 1383.98 433 0.2519 7.79 893 466.7 1.52 11812.5271 70.56 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA ALA 43 - HD1 TRP 72 4.70 20 2.21 2.51 ++++++++++++*+++++++ peak 53 Upper QB ALA 43 - HG LEU 68 3.84 15 1.03 1.67 +++ ++++ ++++*+ ++ peak 1528 Upper QB ALA 43 - HD1 TRP 72 3.17 20 0.93 1.15 ++++++++++++*+++++++ peak 223 Upper QB ALA 43 - HE1 TRP 72 5.13 7 0.50 0.80 + + + +*+ + peak 258 Upper H ARG 44 - HD2 ARG 44 5.27 9 0.43 0.65 +++ + + + ++ * peak 705 Upper HA LEU 45 - H CYS 49 4.31 8 0.53 0.66 + +* + + +++ peak 759 Upper H ARG 46 - QD2 LEU 68 4.30 15 0.89 1.47 ++*++ ++ ++ + + ++++ peak 668 Upper HA ARG 46 - H PHE 50 4.81 18 0.81 1.17 +++++++++*+ +++ ++++ peak 771 Upper QD PHE 47 - QD1 LEU 65 4.18 8 0.49 0.99 + ++ ++ +* + peak 2398 Upper QD PHE 47 - QG1 VAL 88 4.75 17 0.88 1.58 ++++++++*+ + ++++++ peak 2761 Upper QD PHE 47 - QG2 VAL 88 3.57 16 1.14 1.86 ++++++*+ +++ + ++++ peak 8237 Upper QE PHE 47 - HB3 CYS 69 3.93 6 0.39 1.25 + *+ ++ + peak 311 Upper HZ PHE 47 - QD2 LEU 65 4.17 7 0.32 0.83 + ++* + + + peak 291 Upper HZ PHE 47 - HA CYS 69 4.80 19 0.89 1.38 +++++++++++++ *+++++ peak 285 Upper HZ PHE 47 - QG1 VAL 88 3.76 20 1.36 1.79 ++*+++++++++++++++++ peak 293 Upper HZ PHE 47 - QG2 VAL 88 3.73 6 0.45 0.82 + + * + + + peak 294 Upper H PHE 50 - QD1 LEU 68 4.43 6 0.50 1.11 + + * + ++ peak 2509 Upper HA PHE 50 - HB3 HIS 51 4.65 20 0.82 0.86 +*++++++++++++++++++ peak 2038 Upper HB3 PHE 50 - QB ALA 95 4.79 17 1.11 1.62 ++++++*+++ +++ ++++ peak 2008 Upper QD PHE 50 - HG LEU 65 3.49 18 1.03 1.66 ++ *+++++++++ ++++++ peak 283 Upper QD PHE 50 - QD1 LEU 68 3.16 10 0.57 1.08 *+ ++ + +++ ++ peak 279 Upper QD PHE 50 - QB ALA 395 3.01 20 7.36 7.78 ++++++*+++++++++++++ peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 13 0.86 1.54 +++ +++ *++ ++ ++ peak 60 Upper QE PHE 50 - QG GLU 53 5.27 16 0.76 1.31 +++++++++++ ++ + +* peak 2090 Upper QE PHE 50 - HG LEU 65 4.06 18 1.25 2.34 +++*+++++++ + ++++++ peak 270 Upper QE PHE 50 - QD1 LEU 68 3.94 15 0.95 1.44 + ++ ++*+ ++++++ ++ peak 269 Upper QE PHE 50 - HA PHE 92 4.45 12 0.59 1.10 +++ +++ +*+ ++ + peak 84 Upper QE PHE 50 - QB ALA 395 3.33 20 5.50 6.01 ++++++*+++++++++++++ peak 8164 Upper HA HIS 51 - QB ALA 95 3.68 9 0.53 0.78 +++ * + + + ++ peak 1718 Upper HB2 HIS 51 - H TYR 52 3.86 7 0.55 0.72 * + + + + ++ peak 790 Upper HB2 HIS 51 - QB ALA 95 5.20 19 1.18 1.46 ++*++++++++ ++++++++ peak 2051 Upper HB3 HIS 51 - QB ALA 95 3.75 20 2.08 2.41 ++*+++++++++++++++++ peak 8174 Upper H TYR 52 - HG LEU 96 5.22 11 1.21 2.19 + ++ +++ ++ + * + peak 793 Upper HA TYR 52 - QE TYR 52 4.76 7 0.56 0.79 +++ ++ + * peak 2068 Upper QB TYR 52 - QD2 LEU 96 4.16 6 0.34 1.01 + + *+ + + peak 8179 Upper QB TYR 52 - HD3 PRO 97 5.00 18 1.03 1.30 ++++++*++++ +++ ++++ peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 1.96 2.23 +++++++++++*++++++++ peak 8347 Upper QD TYR 52 - QG GLU 54 3.32 20 1.47 1.77 +++*++++++++++++++++ peak 243 QD TYR 52 - HG2 PRO 97 Upper QD TYR 52 - QG GLU 54 4.38 9 0.59 0.92 +++* ++ ++ + peak 2191 Upper QD TYR 52 - QB ALA 61 2.84 19 1.26 1.69 +++++++++++ +++*++++ peak 244 Upper QD TYR 52 - HB3 LEU 96 3.49 9 0.52 0.82 + +++ ++ * ++ peak 249 QD TYR 52 - QG2 ILE 100 Upper QD TYR 52 - HG3 PRO 97 5.03 17 0.78 1.14 +++++++*+++ +++ + ++ peak 3432 Upper QD TYR 52 - HD2 PRO 97 3.20 18 0.82 1.12 +++++++*+++ +++ ++++ peak 40 Upper QD TYR 52 - HD3 PRO 97 3.70 18 0.93 1.20 ++++++*++++ +++ ++++ peak 241 Upper QD TYR 52 - QG2 VAL 119 3.77 19 1.18 1.68 +++++++++++++++*+++ peak 250 Upper QD TYR 52 - QB ALA 395 3.67 20 3.56 3.81 ++++++++++++++*+++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 2.67 4.08 +++++++++++++++*++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 2.13 2.96 +++++++++++++++*++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.90 3.43 +++++++++++++++*++++ peak 8115 Upper QE TYR 52 - H ALA 61 4.72 18 1.75 2.20 +++++++++++ +++ +++* peak 871 Upper QE TYR 52 - QB ALA 61 2.93 20 2.81 3.19 +++++++++++++++++*++ peak 233 Upper QE TYR 52 - QD PHE 92 4.66 20 1.70 2.07 +++++++++++++++++++* peak 140 Upper QE TYR 52 - QE PHE 92 4.04 17 0.79 1.13 + ++++++++++*++++ + peak 109 Upper QE TYR 52 - HZ PHE 92 4.30 19 1.20 1.49 +++++++++++++++ *+++ peak 115 Upper QE TYR 52 - QB ALA 395 4.32 19 2.50 2.80 +++++++++++ ++*+++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 2.11 3.28 +++++++++++++++*++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 2.34 5.06 +++++++++++++++*++++ peak 8114 Upper H GLU 53 - QB ALA 61 4.32 11 0.59 0.74 + + ++* ++ + + ++ peak 1672 H GLN 59 - QB ALA 61 Upper QG GLU 53 - QB ALA 61 3.58 14 0.74 1.23 *+++++ ++++ ++ + + peak 1607 HB2 GLU 60 - QB ALA 61 Upper QG GLU 54 - H GLY 57 4.76 18 0.79 1.05 +++++*++++ ++++++++ peak 825 Upper HA ALA 55 - QG2 THR 56 4.28 19 1.11 1.73 +++*+++++++ ++++++++ peak 2114 Upper QB ALA 55 - H GLY 57 3.84 14 0.68 1.30 + +++++++ ++* +++ peak 826 Upper HA THR 56 - HG3 GLU 60 5.02 8 0.42 1.39 +++ ++ * + + peak 2108 Upper HB THR 56 - HB3 GLU 60 4.06 7 0.37 1.51 ++ ++ * ++ peak 2102 Upper HB THR 56 - HG2 GLU 60 4.22 18 1.24 1.64 ++ *+++++++++++ ++++ peak 2104 Upper QG2 THR 56 - H ALA 61 3.85 16 0.77 1.72 +++ +++ +++ ++*++++ peak 894 Upper QG2 THR 56 - QB ALA 61 3.54 20 1.36 2.24 +++++++++++++++*++++ peak 1600 Upper QG2 THR 56 - HE21 GLN 64 3.68 18 1.07 2.30 ++ ++++ +++++++*++++ peak 1772 Upper QG2 THR 56 - HE22 GLN 64 4.38 14 0.82 1.88 + +++ ++++ ++* +++ peak 1770 Upper H GLY 57 - H GLU 60 5.03 6 0.41 0.82 + ++ *+ + peak 398 Upper H GLY 57 - HG3 GLU 60 4.75 9 0.57 1.44 ++ ++ +++ +* peak 824 Upper HA2 GLY 57 - HE21 GLN 59 5.01 12 0.63 1.03 ++*+ +++ +++ + + peak 845 HE21 GLN 59 - HA ALA 117 Upper HA PRO 58 - H LEU 62 4.82 8 0.57 0.96 + + ++++ +* peak 875 Upper HA PRO 58 - QB ALA 116 4.62 18 1.10 1.40 +*+++++++++ +++ ++++ peak 1625 Upper HB2 PRO 58 - QB ALA 116 4.18 12 0.56 0.93 *++ +++ ++ + +++ peak 2132 Upper HB2 PRO 58 - H ALA 117 4.89 20 1.81 2.38 +++++++++++++*++++++ peak 1290 Upper HB2 PRO 58 - H VAL 119 5.29 16 0.78 1.54 +++++++ *++ ++ ++++ peak 2171 Upper HG2 PRO 58 - QB ALA 116 3.50 15 0.79 1.15 +++ ++++ ++ ++ ++*+ peak 1621 Upper HG2 PRO 58 - H ALA 117 4.41 19 1.57 2.33 ++++++++*++++++ ++++ peak 1291 Upper HG2 PRO 58 - HB2 ASP 120 3.94 16 1.17 2.17 *++++++++ + +++ ++ + peak 1489 Upper HG2 PRO 58 - HB3 ASP 120 3.92 16 1.20 2.63 +++++ ++++ +++ *+++ peak 1486 Upper HG2 PRO 58 - H GLY 121 4.45 19 2.63 3.30 ++*++++++++++++ ++++ peak 1317 Upper HD2 PRO 58 - HE21 GLN 59 5.07 18 1.47 1.85 +++++++++++ +*+ ++++ peak 846 Upper HD3 PRO 58 - HE21 GLN 59 4.41 18 0.93 1.33 +++++++++++ +*+ ++++ peak 843 Upper HD3 PRO 58 - HE22 GLN 59 4.67 14 0.63 0.89 ++* ++++ ++ + ++++ peak 866 HE22 GLN 59 - HA GLU 113 Upper HD3 PRO 58 - HE22 GLN 59 5.10 6 0.60 1.32 ++ +* + + peak 2162 Upper H GLN 59 - HG2 GLN 59 3.43 17 0.86 1.11 +++++++++++ + + *+++ peak 835 Upper H GLN 59 - HB2 LEU 62 4.88 11 0.55 1.32 ++ +++* ++ ++ + peak 838 Upper H GLN 59 - HG LEU 62 4.91 19 1.73 2.24 +++ +++++++++*++++++ peak 839 Upper HA GLN 59 - HE22 GLN 59 4.59 6 0.46 0.65 + ++ +* + peak 867 Upper HA GLN 59 - HB3 LEU 62 4.02 7 0.28 0.97 + ++ ++ + * peak 1873 Upper QB GLN 59 - H LEU 62 4.02 10 0.58 1.02 ++ + + +* + + + + peak 881 Upper QB GLN 59 - H ALA 63 4.06 17 0.84 1.24 ++++ ++++++*++++++ peak 897 Upper HG2 GLN 59 - H GLU 60 4.31 9 0.54 0.75 + ++* ++ + ++ peak 2224 Upper HG2 GLN 59 - QB ALA 116 4.09 13 0.68 1.35 +++++++++ + * + + peak 2206 Upper HG3 GLN 59 - H GLU 60 4.14 17 0.67 0.77 ++++++*++++ ++ ++++ peak 2220 Upper HE21 GLN 59 - QB ALA 117 4.41 19 1.49 2.19 +++++++++++ ++*+++++ peak 849 Upper HE22 GLN 59 - HA ALA 117 4.84 18 1.19 1.71 +++++++++++ ++* ++++ peak 868 Upper HE22 GLN 59 - QB ALA 117 4.63 18 1.30 1.78 +++*+++++++ +++ ++++ peak 855 Upper H GLU 60 - HG3 GLU 60 3.52 16 0.86 1.11 +++++++++++ *++++ peak 860 Upper H GLU 60 - HA ALA 61 4.54 20 0.96 1.40 +++++++++++*++++++++ peak 2256 Upper H GLU 60 - H LEU 62 4.12 7 0.53 0.93 ++ + * + + + peak 175 Upper H GLU 60 - QB ALA 63 4.44 20 1.05 2.05 +++++++++++++++*++++ peak 863 Upper HA GLU 60 - HG3 GLU 60 3.43 9 0.49 0.78 ++ ++ + + * + + peak 2226 Upper HA GLU 60 - H ALA 63 3.44 16 0.80 1.68 +++ ++++ ++ ++ *++++ peak 389 Upper HB3 GLU 60 - H ALA 61 3.58 14 0.61 0.85 ++ ++++++++ ++ + * peak 2252 Upper HB3 GLU 60 - HE22 GLN 64 4.44 8 0.64 1.45 + ++ *+ ++ + peak 925 Upper HG3 GLU 60 - QB ALA 61 4.09 12 0.87 2.17 *+ +++ ++++++ + peak 1606 Upper HG3 GLU 60 - HE22 GLN 64 3.84 10 0.58 1.60 ++ +++ ++* + + peak 923 Upper H ALA 61 - QD2 LEU 62 4.38 19 1.36 2.02 ++++++++*++++ ++++++ peak 8217 Upper H ALA 61 - QE PHE 92 5.09 17 0.67 0.95 ++++++++++* +++ +++ peak 869 Upper QB ALA 61 - HB2 LEU 65 4.12 8 0.56 1.35 + ++ * +++ + peak 8142 Upper QB ALA 61 - QE PHE 92 3.31 18 0.91 1.23 +++++++++*+ +++ ++++ peak 158 QE PHE 92 - HB2 LEU 93 Upper QB ALA 61 - QD PHE 392 3.23 20 4.68 5.08 +++++++++++*++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 3.27 4.26 +++++++++++*++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 12 0.80 1.55 + + + ++* ++++++ peak 884 Upper HB3 LEU 62 - QG1 VAL 88 3.65 13 0.74 1.59 * +++ +++ ++++++ peak 8197 Upper HB3 LEU 62 - QB ALA 116 3.64 15 1.47 2.74 ++++ ++++ +*+++ ++ peak 8139 Upper HG LEU 62 - HG3 PRO 112 4.13 18 1.00 1.76 +++*+++++++ + ++++++ peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 10 0.66 1.55 ++ +++* + + + + peak 3840 Upper QD1 LEU 62 - QB ARG 66 3.57 20 2.08 2.60 ++++++++++++++*+++++ peak 8302 Upper QD1 LEU 62 - H ALA 115 4.36 20 1.16 2.27 +++++++++++++*++++++ peak 8310 Upper QD1 LEU 62 - H ALA 117 5.09 10 0.67 1.28 ++ + + ++ +++* peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.41 2.31 +++++++*++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 1.97 5.15 +++++++++++*++++++++ peak 8306 Upper QD1 LEU 62 - HB3 PRO 412 4.30 19 1.28 2.08 +++++++++++*+ ++++++ peak 8267 Upper QD2 LEU 62 - H LEU 65 4.60 6 0.41 0.93 ++ + * + + peak 2315 Upper QD2 LEU 62 - HG LEU 65 4.50 10 0.50 1.23 + + *++ + +++ + peak 2375 Upper QD2 LEU 62 - QD2 LEU 65 3.81 19 1.16 1.67 *++++++++++++ ++++++ peak 2374 Upper QD2 LEU 62 - H PHE 92 4.60 8 0.65 1.17 ++ ++ + *+ + peak 2317 Upper QD2 LEU 62 - H LEU 93 5.00 20 1.58 2.31 +++++++++++*++++++++ peak 1173 Upper QD2 LEU 62 - HA GLU 113 3.44 12 0.73 1.41 + +++ +++++ +*+ peak 8213 Upper QD2 LEU 62 - H ALA 115 5.15 17 0.77 1.36 +++ ++++ ++*+++++++ peak 2312 Upper QD2 LEU 62 - QB ALA 115 4.41 10 0.64 0.99 ++ +* +++ ++ + peak 1678 Upper QD2 LEU 62 - HA ALA 116 3.39 20 2.43 3.06 +++++++++++*++++++++ peak 8214 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 2.24 3.00 +++++++++++++*++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 2.23 3.02 +++++++++++*++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 1.59 2.69 +++++++++++*++++++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.95 10 0.67 1.25 + + +++ + *+++ peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 1.93 2.39 +++++++++++++++*++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 18 1.20 1.94 +++++++ ++*++++++++ peak 8268 Upper QB ALA 63 - HG3 GLU 67 5.00 11 0.58 1.02 ++ +* +++ + +++ peak 2459 QG ARG 66 - HG3 GLU 67 Upper HA GLN 64 - HG3 GLN 64 3.35 7 0.23 0.77 + + + + +* + peak 1339 Upper HA GLN 64 - HE21 GLN 64 4.68 9 0.57 0.76 *++ ++ ++ + + peak 396 Upper HA GLN 64 - HE22 GLN 64 4.93 16 0.73 0.92 *++++++++++ + + +++ peak 394 Upper HB3 GLN 64 - H LEU 65 3.60 7 0.45 0.66 ++ + ++ * + peak 2348 Upper QD2 LEU 65 - H GLN 91 4.71 6 0.35 0.97 + *++ + + peak 1153 Upper QD2 LEU 65 - QD PHE 92 4.14 13 0.79 1.43 ++ + *+++ + + ++++ peak 2402 Upper H GLU 67 - HG LEU 68 5.32 11 0.72 1.40 + + + *+ ++ + +++ peak 2527 Upper H GLU 67 - QD2 LEU 68 4.46 16 1.17 1.59 ++ ++++ ++++*+++++ peak 2531 Upper QD2 LEU 68 - H CYS 69 3.83 9 0.64 1.09 + + +++++*+ peak 2535 Upper H CYS 69 - QG2 VAL 88 3.66 13 0.93 1.60 + +++++ + ++ ++*+ peak 8235 Upper HA CYS 69 - HB3 LEU 73 4.04 12 0.58 0.89 * +++ +++ +++ ++ peak 2555 Upper HA CYS 69 - QG2 VAL 88 4.03 18 0.90 1.20 ++ ++++*+++ ++++++++ peak 3150 QG2 VAL 88 - HB2 PHE 92 Upper HD3 ARG 70 - HB3 LEU 73 4.58 7 0.55 0.85 + + + *+ + + peak 2567 HD3 ARG 70 - QD1 LEU 84 Upper H TRP 72 - QD2 LEU 73 4.94 12 0.66 0.97 + +++ + + +++++ * peak 1341 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 20 1.92 2.12 +*++++++++++++++++++ peak 212 Upper HB2 TRP 72 - H ARG 74 5.23 19 0.81 1.07 ++++++++++++++ +*+++ peak 2647 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 20 0.74 0.77 +++++++++++++++++++* peak 214 Upper HD1 TRP 72 - QD2 LEU 73 4.25 10 0.69 1.25 + *+ + + +++ + + peak 227 Upper HE3 TRP 72 - HB3 LEU 73 4.11 18 1.16 1.57 + +++*++++++++ +++++ peak 208 Upper HE3 TRP 72 - QD2 LEU 73 4.26 14 0.68 0.90 + +++++++++ ++ * + peak 211 Upper HE1 TRP 72 - QD1 LEU 86 4.54 20 1.08 1.44 +++++++++++*++++++++ peak 260 Upper HE1 TRP 72 - QD2 LEU 86 4.48 16 0.73 1.13 + *++++++ + +++++++ peak 259 Upper HE1 TRP 72 - HG LEU 87 4.94 20 1.25 2.57 +++++*++++++++++++++ peak 264 Upper HZ2 TRP 72 - HA LEU 87 4.43 18 0.88 1.22 + ++++++++ *++++++++ peak 121 Upper HZ2 TRP 72 - QD2 LEU 87 3.85 6 0.42 0.92 * + + + + + peak 192 Upper HB2 LEU 73 - H MET 83 4.91 15 0.87 2.37 ++++++ + ++ +*+++ + peak 1076 Upper QD1 LEU 73 - H MET 83 5.16 14 0.72 1.26 + ++*+++ ++ ++ +++ peak 1073 Upper QD2 LEU 73 - QB LEU 84 4.08 14 0.77 1.22 ++++ + *++ ++ ++++ peak 2938 Upper QD2 LEU 73 - HA LEU 86 5.23 7 0.54 1.15 + ++* + + + peak 1785 Upper HA PRO 75 - QD1 LEU 84 3.95 8 0.57 0.87 + + +++ + *+ peak 3007 Upper HD2 PRO 75 - H VAL 77 5.12 8 0.59 0.85 + ++ + *++ + peak 304 Upper HD2 PRO 75 - QD1 LEU 84 3.59 19 1.23 1.75 ++*+++++++++++ +++++ peak 3006 Upper HB VAL 77 - HB3 ARG 78 4.22 9 0.84 1.96 + + ++ ++*+ + peak 2776 Upper H GLU 81 - QE MET 83 4.70 19 1.00 1.20 +++++++++++*+++++ ++ peak 1649 Upper H GLN 82 - HG2 GLU 85 3.41 8 0.56 0.75 + +* +++ + + peak 1057 Upper HB2 MET 83 - QB LEU 84 4.10 7 0.55 0.67 * ++ ++ + + peak 3000 Upper HG2 MET 83 - QD2 LEU 87 4.77 9 0.57 1.02 + *+ ++ ++ + + peak 2961 Upper QB LEU 84 - HA VAL 88 4.43 18 0.87 1.16 +++*++++++ ++++ ++++ peak 3138 Upper HG LEU 84 - H GLU 85 4.14 12 0.52 1.09 +* +++ +++ ++ + + peak 3021 Upper QD1 LEU 84 - H LEU 87 4.35 6 0.59 1.07 * + + ++ + peak 8320 Upper H GLU 85 - QD2 LEU 86 4.42 6 0.63 1.72 + + * + + + peak 1090 Upper HA GLU 85 - HG2 GLU 85 3.29 13 0.61 0.65 + *++ +++++ ++ ++ peak 326 Upper HG2 GLU 85 - QD2 LEU 86 4.35 20 1.27 1.95 ++*+++++++++++++++++ peak 3031 Upper HG3 GLU 85 - QD1 LEU 86 4.04 20 1.27 1.52 +++*++++++++++++++++ peak 3057 Upper HG3 GLU 85 - QD2 LEU 86 4.03 16 1.08 1.64 + *++ ++++ +++ +++++ peak 3030 Upper H LEU 86 - HG LEU 86 3.52 12 0.51 0.93 + + * + ++++ ++++ peak 3075 Upper H LEU 86 - HB2 LEU 87 3.77 20 1.24 1.37 ++++++++++*+++++++++ peak 1092 Upper HA LEU 86 - QD2 LEU 86 2.87 7 0.51 0.70 ++ *+ ++ + peak 827 Upper HA LEU 86 - HB3 LEU 89 4.51 12 0.69 1.21 + + + ++++* ++ ++ peak 1886 Upper HA LEU 86 - H GLU 90 4.37 13 0.67 0.94 ++++ ++ ++ +*+ ++ peak 3087 Upper H LEU 87 - HA VAL 88 3.93 20 0.84 1.03 +++++*++++++++++++++ peak 376 Upper QD1 LEU 87 - HA GLN 91 4.57 19 0.98 1.40 +++++++++++++ *+++++ peak 3219 Upper QD2 LEU 87 - H GLU 90 4.96 11 0.72 1.53 ++ +* ++++ + ++ peak 3092 Upper HB VAL 88 - H LEU 89 3.24 13 0.62 1.03 +++++++ + + *+++ peak 1130 Upper HB VAL 88 - QD PHE 92 4.51 19 1.45 2.08 ++++++++ ++*++++++++ peak 142 Upper QG1 VAL 88 - H GLU 90 4.12 12 0.71 1.15 ++ + + +* ++ +++ + peak 8205 Upper QG1 VAL 88 - H GLN 91 3.97 17 0.67 0.83 +++++ +++++ ++*++ ++ peak 1159 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.56 2.48 +++*++++++++++++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 2.21 2.92 +++++++++++++*++++++ peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 4.28 13 0.58 1.10 ++++ ++++ ++*+ + peak 3778 Upper H LEU 89 - HG3 PRO 112 4.67 20 0.87 1.14 +++*++++++++++++++++ peak 3813 Upper QD1 LEU 89 - HD2 PRO 112 4.70 11 0.45 1.01 ++ ++ + + *+ ++ + peak 3775 Upper QD2 LEU 89 - QD PHE 92 4.17 7 0.46 0.86 + * + ++ + + peak 3200 Upper QD2 LEU 89 - H ALA 116 4.39 12 0.79 1.27 +++* ++++ ++++ peak 979 Upper H GLN 91 - QD PHE 92 4.79 20 1.14 1.28 +++++++++++*++++++++ peak 1149 Upper HA GLN 91 - HA2 GLY 94 4.01 7 0.48 0.82 + ++ * ++ + peak 3220 Upper HA GLN 91 - H ALA 95 5.16 14 0.68 1.03 ++ ++ +*++ ++ +++ + peak 1860 Upper QD PHE 92 - QB ALA 361 3.23 20 4.69 5.00 +++++++++++++++*++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 2.16 3.06 +++++++++++*++++++++ peak 8215 Upper QE PHE 92 - HA PRO 112 3.44 12 0.71 1.29 +++++ ++ * +++ + peak 111 Upper QE PHE 92 - QB ALA 361 3.18 20 3.27 4.03 +++++++++++*++++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 1.53 2.66 +++++++++++*++++++++ peak 8216 Upper HZ PHE 92 - HB VAL 119 4.66 7 0.48 1.79 + + ++++* peak 3966 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 2.02 4.96 +++++++++++*++++++++ peak 8306 Upper H LEU 93 - HG LEU 93 3.72 6 0.36 0.95 *+++ + + peak 3285 Upper QD1 LEU 93 - H GLY 94 4.17 10 0.55 0.87 +++++ + + * + + peak 1179 Upper QD2 LEU 93 - HA LEU 96 4.50 20 1.32 2.20 +++++++*++++++++++++ peak 3288 Upper QD2 LEU 93 - HG3 PRO 109 3.73 12 0.59 0.99 + +*+ + +++ + +++ peak 3266 Upper HA2 GLY 94 - HB2 LEU 96 4.70 17 0.81 1.14 ++++ ++*+++++++ + ++ peak 3340 HA3 GLY 94 - HB2 LEU 96 Upper H ALA 95 - QD2 LEU 96 4.77 8 0.30 1.03 + + *+ + + + + peak 1112 Upper QB ALA 95 - QD PHE 350 3.01 20 7.33 7.79 ++++++*+++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 5.46 5.99 ++++++*+++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 1.95 2.41 +++++++++++*++++++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 3.57 3.81 ++*+++++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.53 2.78 ++++++*+++++++++++++ peak 8176 Upper H LEU 96 - QG2 ILE 100 4.64 7 0.48 1.10 + + +++ +* peak 1673 Upper HA LEU 96 - HG2 PRO 97 3.73 19 0.81 0.90 ++++++*++++++++ ++++ peak 3408 Upper HB3 LEU 96 - HE22 GLN 101 4.92 16 1.07 1.52 +++* ++ ++++++++ ++ peak 1208 Upper HB3 LEU 96 - QD TYR 352 5.50 20 2.65 4.07 +++++++++++++++*++++ peak 8340 Upper QD1 LEU 96 - HG13 ILE 100 5.19 8 0.36 0.74 + + *+ ++ + + peak 3470 Upper QD2 LEU 96 - HG2 PRO 97 4.44 19 1.06 1.56 +++++ +++++++++*++++ peak 1748 Upper QD2 LEU 96 - HG3 PRO 97 5.09 10 0.67 1.08 +++ +++ ++ * + peak 3410 Upper QD2 LEU 96 - HD2 PRO 97 3.71 7 0.52 0.79 + * ++ + ++ peak 1751 Upper QD2 LEU 96 - H ILE 100 4.86 12 0.74 1.22 + ++ +++ +++ * + + peak 284 Upper QD2 LEU 96 - HB2 GLN 101 5.39 17 1.02 1.55 ++++*+++++++++ +++ peak 4060 Upper QD2 LEU 96 - HB3 GLN 101 5.44 17 0.82 1.19 +++++++ +++ + *+++++ peak 4064 Upper QD2 LEU 96 - QD TYR 352 3.68 20 2.24 3.24 +++++++++++++++*++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 2.20 3.52 +++++++++++++++*++++ peak 8182 Upper HB2 PRO 97 - HB ILE 100 4.10 19 1.43 1.75 +++++++++++ +*++++++ peak 3393 Upper HB2 PRO 97 - QD1 ILE 100 4.17 18 0.83 1.10 +++++++++++ ++++ *++ peak 3396 Upper HB3 PRO 97 - HG12 ILE 100 3.63 8 0.58 1.39 + + ++ +*++ peak 3476 QB GLU 99 - HG12 ILE 100 Upper HA PRO 98 - H GLN 101 3.53 7 0.54 0.71 + + +++ * + peak 469 Upper HA GLU 99 - QD1 ILE 100 4.54 20 1.37 1.86 +++++++++++*++++++++ peak 2034 Upper HA GLU 99 - H GLN 101 4.48 14 0.63 0.79 +++ ++ ++*++++ ++ peak 2032 Upper QB GLU 99 - QD1 ILE 100 3.24 17 1.10 1.52 ++++ +++++ ++++++ +* peak 2725 Upper HG12 ILE 100 - QG1 VAL 119 3.90 19 1.57 2.04 +++++*+++++ ++++++++ peak 3953 Upper QD1 ILE 100 - HA VAL 119 4.44 7 0.38 1.02 + + +* ++ + peak 2730 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.85 3.00 +++++++++++++++*++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 2.32 4.67 +++++++++++++++*++++ peak 8114 Upper HA GLN 101 - HE22 GLN 101 4.97 13 0.70 1.09 ++++ ++ ++*++ ++ peak 477 Upper HG3 GLN 101 - QB ALA 102 4.48 19 0.79 1.02 *++++++++++ ++++++++ peak 4091 Upper H ARG 103 - HB VAL 104 4.88 14 0.62 0.79 + +++++ ++ + +*+ ++ peak 3442 Upper HA ARG 103 - QQG VAL 104 3.90 7 0.60 0.70 ++ *++ ++ peak 3578 Upper HA VAL 104 - HE22 GLN 107 4.41 9 0.50 1.20 *+ + +++ ++ + peak 488 Upper HA VAL 104 - QD2 LEU 118 3.96 11 0.71 1.13 + +++ ++*+++ + peak 3938 Upper QB GLN 107 - H LEU 118 4.68 15 0.81 1.15 ++++++ +++ ++ +++* peak 3622 Upper HB2 PRO 112 - QD2 LEU 362 3.95 7 0.52 1.13 ++ + ++ * + peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.30 18 1.31 2.06 +++*+++ +++++ ++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 1.78 2.42 +++++++++++++*++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 17 1.06 1.90 +++ +++++++*++ ++++ peak 8268 Upper H GLU 113 - HA GLU 114 4.39 20 0.74 0.93 ++++++++*+++++++++++ peak 3875 Upper HA GLU 113 - H ALA 115 4.07 7 0.52 0.75 + + ++ * ++ peak 567 Upper HG3 GLU 113 - H GLU 114 4.40 8 0.55 0.96 *+ +++ + + + peak 3819 Upper HG3 GLU 113 - QB ALA 116 4.51 13 0.67 1.10 +++ +++ +++ * + ++ peak 3839 Upper HA GLU 114 - H ALA 117 3.70 8 0.37 0.92 ++ ++ +* ++ peak 577 Upper QB GLU 114 - H ALA 117 4.06 18 0.93 1.22 ++++++++ +* ++++++++ peak 1292 Upper QB ALA 115 - H ALA 117 3.72 9 0.61 1.09 * ++ +++++ + peak 1295 Upper HA ALA 116 - H ASP 120 4.05 19 1.34 1.74 ++*++++++++ ++++++++ peak 624 Upper H ALA 117 - HB2 ASP 120 4.69 15 0.98 1.77 +++ ++++ ++ ++ +++* peak 1289 Upper HA ALA 117 - HB3 ASP 120 3.58 9 0.50 1.08 + *+++++ + + peak 1485 Upper QB ALA 117 - HB2 ASP 120 4.40 6 0.29 1.05 + +* + ++ peak 1490 Upper QB ALA 117 - HB3 ASP 120 4.32 12 0.74 1.25 + *++++++ +++ + peak 1487 Upper HA LEU 118 - QD2 LEU 118 2.75 13 0.66 1.12 +++ +++ +++ ++*+ peak 887 Upper HB2 LEU 118 - H VAL 119 3.39 11 0.50 0.85 +++ + + +++ + +* peak 1310 Upper HG LEU 118 - HA VAL 119 4.42 9 0.83 1.92 + + + ++*+++ peak 3943 Upper H VAL 119 - HA ASP 120 4.69 18 0.72 0.78 ++++++++ ++ +++++*++ peak 626 Upper QG1 VAL 119 - H LEU 122 4.72 15 0.71 0.96 +*++++++ ++ ++ +++ peak 1328 Upper HB3 ASP 120 - H LEU 122 4.85 9 0.41 0.86 + ++++++* + peak 1323 Upper H GLY 121 - HB2 LEU 122 4.33 12 0.59 0.84 + + ++++ + +* ++ + peak 1319 Upper HA LEU 122 - QD1 LEU 122 3.46 13 0.56 0.63 + +* +++++ + +++ + peak 933 Upper HA LEU 122 - QD2 LEU 122 2.84 15 0.56 0.82 + ++++++++ +* +++ + peak 565 Upper HA ALA 343 - HD1 TRP 372 4.70 20 2.26 2.45 ++++++++++++*+++++++ peak 53 Upper QB ALA 343 - HG LEU 368 3.84 19 1.29 1.82 ++++++++*++ ++++++++ peak 1528 Upper QB ALA 343 - HD1 TRP 372 3.17 20 0.98 1.14 ++++++++++++++*+++++ peak 223 Upper H ARG 344 - HD2 ARG 344 5.27 11 0.43 0.64 + + +++*++ ++ + peak 705 Upper HA LEU 345 - H CYS 349 4.31 7 0.58 0.81 + +* + + + + peak 759 Upper H ARG 346 - QD2 LEU 368 4.30 10 0.77 1.51 ++ + ++*+ ++ + peak 668 Upper HA ARG 346 - H PHE 350 4.81 18 0.81 1.09 ++++++*++++ +++ ++++ peak 771 Upper QD PHE 347 - QG1 VAL 388 4.75 13 0.69 1.32 ++ ++ ++*+ +++ ++ peak 2761 Upper QD PHE 347 - QG2 VAL 388 3.57 16 1.00 1.68 ++ ++*++ +++++ ++++ peak 8237 Upper QE PHE 347 - HG LEU 365 3.76 9 0.45 0.87 +++* ++ + + + peak 317 Upper QE PHE 347 - HB3 CYS 369 3.93 7 0.44 1.08 + *+ ++ ++ peak 311 Upper HZ PHE 347 - HA CYS 369 4.80 15 0.79 1.08 +++ ++ *+++ +++ +++ peak 285 Upper HZ PHE 347 - QG1 VAL 388 3.76 20 1.39 1.80 +++++++++++++++*++++ peak 293 Upper HZ PHE 347 - QG2 VAL 388 3.73 6 0.43 1.09 + ++++ * peak 294 Upper H PHE 350 - QD1 LEU 368 4.43 9 0.60 1.07 + * + ++ ++++ peak 2509 Upper HA PHE 350 - HB3 HIS 351 4.65 20 0.82 0.86 ++++++++++++++++*+++ peak 2038 Upper HB3 PHE 350 - QB ALA 395 4.79 15 0.98 1.64 ++++++*+ ++ +++ ++ peak 2008 Upper QD PHE 350 - HG LEU 365 3.49 16 0.97 1.57 +++ ++++ *++++ ++++ peak 283 Upper QD PHE 350 - QD1 LEU 368 3.16 11 0.66 1.15 ++ + +++ ++ *+ + peak 279 Upper QE PHE 350 - QD TYR 352 3.46 11 0.78 1.44 + +++++ + + +*+ peak 60 Upper QE PHE 350 - QG GLU 353 5.27 17 0.77 1.32 ++*+++++++++ +++ ++ peak 2090 Upper QE PHE 350 - HG LEU 365 4.06 16 1.10 2.33 ++ +++++++ +++ ++*+ peak 270 Upper QE PHE 350 - QD1 LEU 368 3.94 16 0.99 1.62 +++ ++++++++++*+ + peak 269 Upper QE PHE 350 - HA PHE 392 4.45 10 0.58 1.01 + +++*+++ ++ peak 84 Upper HA HIS 351 - QB ALA 395 3.68 8 0.55 0.87 +* + +++ + + peak 1718 Upper HB2 HIS 351 - H TYR 352 3.86 6 0.55 0.75 * + + + + + peak 790 Upper HB2 HIS 351 - QB ALA 395 5.20 19 1.20 1.53 ++++++++*++ ++++++++ peak 2051 Upper HB3 HIS 351 - QB ALA 395 3.75 20 2.11 2.54 ++++++++*+++++++++++ peak 8174 Upper H TYR 352 - HG LEU 396 5.22 7 0.89 2.32 * ++ + +++ peak 793 Upper HA TYR 352 - QE TYR 352 4.76 7 0.57 0.79 ++ ++++ * peak 2068 Upper QB TYR 352 - QD2 LEU 396 4.16 9 0.46 1.01 ++++++* ++ peak 8179 Upper QB TYR 352 - HD3 PRO 397 5.00 19 1.07 1.27 +++++++++++ +*++++++ peak 3382 Upper QD TYR 352 - QG GLU 354 4.38 7 0.58 1.02 + ++ *++ + peak 2191 Upper QD TYR 352 - QG GLU 354 3.32 20 1.46 1.80 +++++++*++++++++++++ peak 243 QD TYR 352 - HG2 PRO 397 Upper QD TYR 352 - QB ALA 361 2.84 19 1.27 1.80 +++++++++++ +++*++++ peak 244 Upper QD TYR 352 - HG3 PRO 397 5.03 17 0.79 1.24 +++++++++++ +*+ + ++ peak 3432 Upper QD TYR 352 - HD2 PRO 397 3.20 18 0.83 1.24 +++++++++++ +*+ ++++ peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 18 0.92 1.24 +++++++++++ +*+ ++++ peak 241 Upper QD TYR 352 - QG2 VAL 419 3.77 20 1.28 1.58 ++++*+++++++++++++++ peak 250 Upper QE TYR 352 - H ALA 361 4.72 18 1.71 2.21 +++++++++++ ++* ++++ peak 871 Upper QE TYR 352 - QB ALA 361 2.93 20 2.80 3.29 ++++++++++*+++++++++ peak 233 Upper QE TYR 352 - QD PHE 392 4.66 20 1.68 2.02 ++++++++++++++*+++++ peak 140 Upper QE TYR 352 - QE PHE 392 4.04 19 0.78 1.13 ++++++ +++++++*+++++ peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 19 1.23 1.56 +++++++++++++++ +*++ peak 115 Upper H GLU 353 - QB ALA 361 4.32 13 0.60 0.86 ++* +++ ++ + ++++ peak 1672 H GLN 359 - QB ALA 361 Upper QG GLU 353 - QB ALA 361 3.58 10 0.60 1.24 + ++++ * ++ ++ peak 1607 HB2 GLU 360 - QB ALA 361 Upper QG GLU 354 - H ALA 355 3.65 7 0.47 0.65 + + ++* + + peak 809 Upper QG GLU 354 - H GLY 357 4.76 19 0.76 1.10 ++++++*++++ ++++++++ peak 825 Upper HA ALA 355 - QG2 THR 356 4.28 19 1.06 1.74 +++++++++++ +*++++++ peak 2114 Upper QB ALA 355 - H GLY 357 3.84 19 0.80 1.38 +++++++++++++++*++ + peak 826 Upper HA THR 356 - HG3 GLU 360 5.02 10 0.58 1.68 + +++ +* ++ + + peak 2108 Upper HB THR 356 - HG2 GLU 360 4.22 16 1.04 1.76 ++++++++ ++ +* ++++ peak 2104 Upper QG2 THR 356 - H ALA 361 3.85 18 0.84 1.81 +++++++ +++++ +*++++ peak 894 Upper QG2 THR 356 - QB ALA 361 3.54 20 1.47 2.22 +++++++++++++++*++++ peak 1600 Upper QG2 THR 356 - HE21 GLN 364 3.68 20 1.14 2.25 +++++++++++++++*++++ peak 1772 Upper QG2 THR 356 - HE22 GLN 364 4.38 16 0.88 1.76 +++++++ ++++ +* +++ peak 1770 Upper H GLY 357 - HG3 GLU 360 4.75 8 0.54 1.45 + + + +* ++ + peak 824 Upper HA2 GLY 357 - HE21 GLN 359 5.01 11 0.61 0.99 +++ +++ + + * ++ peak 845 HE21 GLN 359 - HA ALA 417 Upper HA PRO 358 - H LEU 362 4.82 9 0.59 0.92 + ++ + +++* + peak 875 Upper HA PRO 358 - HZ PHE 392 4.37 6 0.46 0.92 + + ++ * + peak 116 Upper HA PRO 358 - QB ALA 416 4.62 18 1.07 1.40 ++++*++++++ +++ ++++ peak 1625 Upper HB2 PRO 358 - QB ALA 416 4.18 11 0.49 0.95 +++*++ ++ + ++ peak 2132 Upper HB2 PRO 358 - H ALA 417 4.89 20 1.84 2.46 *+++++++++++++++++++ peak 1290 Upper HB2 PRO 358 - H VAL 419 5.29 16 0.75 1.40 + +++++++++ +* ++++ peak 2171 Upper HG2 PRO 358 - QB ALA 416 3.50 14 0.74 1.15 ++++*++ ++ + ++ ++ peak 1621 Upper HG2 PRO 358 - H ALA 417 4.41 19 1.61 2.39 ++++++++++++++* ++++ peak 1291 Upper HG2 PRO 358 - HB2 ASP 420 3.94 17 1.39 2.30 +++++++*+ + +++ ++++ peak 1489 Upper HG2 PRO 358 - HB3 ASP 420 3.92 16 1.13 2.71 +++ ++ ++++ +++ *+++ peak 1486 Upper HG2 PRO 358 - H GLY 421 4.45 19 2.67 3.20 ++*++++++++++++ ++++ peak 1317 Upper HD2 PRO 358 - HE21 GLN 359 5.07 18 1.43 1.91 +++++++++++ ++* ++++ peak 846 Upper HD3 PRO 358 - HE21 GLN 359 4.41 18 0.89 1.25 +++++++++++ ++* ++++ peak 843 Upper HD3 PRO 358 - HE22 GLN 359 5.10 8 0.64 1.45 ++ + + *+ + + peak 2162 Upper HD3 PRO 358 - HE22 GLN 359 4.67 14 0.60 0.89 ++++++* ++ + + +++ peak 866 HE22 GLN 359 - HA GLU 413 Upper H GLN 359 - HG2 GLN 359 3.43 12 0.66 1.18 +++ +++ ++ + * + + peak 835 Upper H GLN 359 - HB2 LEU 362 4.88 7 0.44 1.32 +* + + ++ + peak 838 Upper H GLN 359 - HG LEU 362 4.91 18 1.51 2.53 +++++++ *++++ ++++++ peak 839 Upper HA GLN 359 - HE22 GLN 359 4.59 6 0.42 0.70 ++++ + * peak 867 Upper QB GLN 359 - H LEU 362 4.02 11 0.59 0.74 + ++++*+ +++ + peak 881 Upper QB GLN 359 - H ALA 363 4.06 14 0.79 1.48 ++ ++ ++ ++++* + ++ peak 897 Upper HG2 GLN 359 - H GLU 360 4.31 11 0.56 0.72 +++ +* +++ + + + peak 2224 Upper HG2 GLN 359 - QB ALA 416 4.09 11 0.63 1.30 +++ ++ ++* + ++ peak 2206 Upper HG3 GLN 359 - H GLU 360 4.14 15 0.65 0.83 +++++++++++ + +*+ peak 2220 Upper HE21 GLN 359 - QB ALA 417 4.41 19 1.49 2.11 ++++++++*++ ++++++++ peak 849 Upper HE22 GLN 359 - HA ALA 417 4.84 18 1.18 1.71 +++++++++++ +++ +++* peak 868 Upper HE22 GLN 359 - QB ALA 417 4.63 18 1.28 1.75 +++++++*+++ +++ ++++ peak 855 Upper H GLU 360 - HG3 GLU 360 3.52 18 0.89 1.13 +++++++* +++++ +++++ peak 860 Upper H GLU 360 - HA ALA 361 4.54 20 0.96 1.36 +++++++++++*++++++++ peak 2256 Upper H GLU 360 - QB ALA 363 4.44 20 0.99 1.53 +++++++++++++++*++++ peak 863 Upper HA GLU 360 - HG3 GLU 360 3.43 6 0.38 0.66 + ++* ++ peak 2226 Upper HA GLU 360 - H ALA 363 3.44 15 0.78 1.34 +++++++ ++ + *++++ peak 389 Upper HB3 GLU 360 - H ALA 361 3.58 10 0.57 0.81 + ++*++ ++ ++ peak 2252 Upper HB3 GLU 360 - HE22 GLN 364 4.44 13 0.74 1.42 +++ ++ +++++ *+ + peak 925 Upper HG3 GLU 360 - QB ALA 361 4.09 13 0.98 1.98 +*+ +++++ ++ ++ + peak 1606 Upper HG3 GLU 360 - HE22 GLN 364 3.84 8 0.47 1.49 + +++ + * ++ peak 923 Upper H ALA 361 - QD2 LEU 362 4.38 19 1.44 1.84 ++*++++++++++ ++++++ peak 8217 Upper H ALA 361 - QE PHE 392 5.09 17 0.69 0.99 ++++++++ ++ +++ +*++ peak 869 Upper QB ALA 361 - QE PHE 392 3.31 18 0.91 1.20 *++++++++++ +++ ++++ peak 158 QE PHE 392 - HB2 LEU 393 Upper H LEU 362 - HG LEU 362 3.15 9 0.59 1.52 *+ + + ++ + + + peak 884 Upper HB3 LEU 362 - QG1 VAL 388 3.65 9 0.55 1.20 ++ + ++* + ++ peak 8197 Upper HB3 LEU 362 - QB ALA 416 3.64 18 1.57 2.72 ++++++++++ ++*+++++ peak 8139 Upper HG LEU 362 - HG3 PRO 412 4.13 18 1.02 1.83 +++++++*+++ +++ ++++ peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 10 0.74 1.50 + ++++ * ++ ++ peak 3840 Upper QD1 LEU 362 - QB ARG 366 3.57 20 2.05 2.52 +*++++++++++++++++++ peak 8302 Upper QD1 LEU 362 - H ALA 415 4.36 20 1.10 2.01 +++++++*++++++++++++ peak 8310 Upper QD1 LEU 362 - H ALA 417 5.09 7 0.59 1.36 + + + *+ + + peak 1299 Upper QD2 LEU 362 - H LEU 365 4.60 9 0.50 1.03 + ++ * + + + ++ peak 2315 Upper QD2 LEU 362 - HG LEU 365 4.50 7 0.50 1.46 + ++ * + + + peak 2375 Upper QD2 LEU 362 - QD2 LEU 365 3.81 20 1.25 1.70 ++*+++++++++++++++++ peak 2374 Upper QD2 LEU 362 - H PHE 392 4.60 11 0.72 1.35 + +++ + ++ * +++ peak 2317 Upper QD2 LEU 362 - H LEU 393 5.00 20 1.66 2.44 +++++++++++*++++++++ peak 1173 Upper QD2 LEU 362 - HA GLU 413 3.44 9 0.62 1.29 ++ ++ +*++ + peak 8213 Upper QD2 LEU 362 - H ALA 415 5.15 17 0.79 1.42 +++++++ +++*+ +++++ peak 2312 Upper QD2 LEU 362 - QB ALA 415 4.41 16 0.73 1.21 +++++++ ++*+ +++++ peak 1678 Upper QD2 LEU 362 - H ALA 416 4.76 9 0.60 1.12 ++ + + +* + + + peak 977 Upper QD2 LEU 362 - HA ALA 416 3.39 20 2.52 3.19 ++++++++*+++++++++++ peak 8214 Upper QD2 LEU 362 - QB ALA 416 3.40 8 0.46 1.17 ++ + * + + + + peak 8208 Upper QB ALA 363 - HG3 GLU 367 5.00 8 0.55 1.08 ++ +* ++ + + peak 2459 QG ARG 366 - HG3 GLU 367 Upper HA GLN 364 - HE21 GLN 364 4.68 7 0.52 0.66 + + ++++* peak 396 Upper HA GLN 364 - HE22 GLN 364 4.93 16 0.67 0.96 +++++++* ++++ ++++ peak 394 Upper QD2 LEU 365 - QD PHE 392 4.14 11 0.71 1.44 ++ ++++ * ++ ++ peak 2402 Upper HA ARG 366 - QD2 LEU 387 4.13 8 0.53 1.29 +*+ + + ++ + peak 8226 Upper QG ARG 366 - QG1 VAL 388 3.71 6 0.25 0.82 + ++ *+ + peak 8198 Upper H GLU 367 - HG LEU 368 5.32 7 0.50 1.51 + + *++ + + peak 2527 Upper H GLU 367 - QD2 LEU 368 4.46 16 1.34 1.80 +*++++++++++ ++ ++ peak 2531 Upper QD2 LEU 368 - H CYS 369 3.83 14 0.76 1.07 +++++ +++*+ ++ ++ peak 2535 Upper H CYS 369 - QG2 VAL 388 3.66 10 0.77 1.39 + *+++ +++++ peak 8235 Upper HA CYS 369 - HB3 LEU 373 4.04 8 0.51 1.07 + + ++ * ++ + peak 2555 Upper HA CYS 369 - QG2 VAL 388 4.03 18 0.85 1.18 ++++++ ++++ +*++++++ peak 3150 QG2 VAL 388 - HB2 PHE 392 Upper HG3 ARG 370 - H ARG 374 4.94 7 0.50 0.79 + + *+ ++ + peak 2604 Upper HD3 ARG 370 - HB3 LEU 373 4.58 6 0.56 0.83 + + *+ ++ peak 2567 HD3 ARG 370 - QD1 LEU 384 Upper HD3 ARG 370 - QD1 LEU 384 3.08 7 0.37 0.89 +*+ + + ++ peak 8315 HD3 PRO 375 - QD1 LEU 384 Upper H TRP 372 - QD2 LEU 373 4.94 11 0.63 0.96 + ++ ++ + +* +++ peak 1341 Upper H TRP 372 - HA ARG 374 4.76 6 0.51 0.75 + +*+ ++ peak 2671 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 20 1.93 2.04 +++++++++*++++++++++ peak 212 Upper HB2 TRP 372 - H ARG 374 5.23 20 0.88 1.15 ++++*+++++++++++++++ peak 2647 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 20 0.73 0.81 ++++++++++++++++*+++ peak 214 Upper HD1 TRP 372 - QD2 LEU 373 4.25 8 0.57 1.08 + + + + +* ++ peak 227 Upper HE3 TRP 372 - HB3 LEU 373 4.11 19 1.20 1.47 +++++++++++*++++ +++ peak 208 Upper HE3 TRP 372 - QD2 LEU 373 4.26 17 0.67 1.13 +++++++++*+ +++ +++ peak 211 Upper HE1 TRP 372 - QD1 LEU 386 4.54 20 1.06 1.51 +++++++++++*++++++++ peak 260 Upper HE1 TRP 372 - QD2 LEU 386 4.48 16 0.81 1.15 * + ++ ++ ++++++++++ peak 259 Upper HE1 TRP 372 - HG LEU 387 4.94 19 1.20 2.60 +++++++++++++++ *+++ peak 264 Upper HZ2 TRP 372 - HA LEU 387 4.43 19 0.94 1.28 +++++++++ +*++++++++ peak 121 Upper HB2 LEU 373 - H MET 383 4.91 11 0.70 1.31 + + + ++ +++*++ peak 1076 Upper QD1 LEU 373 - H MET 383 5.16 13 0.76 1.42 +++ ++ +* +++ +++ peak 1073 Upper QD2 LEU 373 - QB LEU 384 4.08 18 0.91 1.22 ++++++++* ++++++ +++ peak 2938 Upper QD2 LEU 373 - HA LEU 386 5.23 10 0.61 1.20 + +*++ ++ + ++ peak 1785 Upper QD2 LEU 373 - QD1 LEU 387 3.77 8 0.46 0.86 + + ++ + + * + peak 3133 Upper HA PRO 375 - QD1 LEU 384 3.95 13 0.65 0.93 ++ *+++ + + + + +++ peak 3007 Upper HD2 PRO 375 - QD1 LEU 384 3.59 20 1.41 1.92 ++++*+++++++++++++++ peak 3006 Upper H VAL 377 - HB3 ARG 378 4.02 9 0.61 0.95 * +++ + + +++ peak 1019 Upper HB VAL 377 - HB3 ARG 378 4.22 9 0.85 1.95 * + ++ +++ ++ peak 2776 Upper H GLU 381 - QE MET 383 4.70 18 0.92 1.42 *++++ +++++++++++ ++ peak 1649 Upper H GLN 382 - HG2 GLU 385 3.41 9 0.59 0.80 + + *+ + + + ++ peak 1057 Upper HB2 MET 383 - QB LEU 384 4.10 11 0.58 0.78 * + + ++ +++ + ++ peak 3000 Upper HG2 MET 383 - QD2 LEU 387 4.77 8 0.54 1.17 + +++++ +* peak 2961 Upper QB LEU 384 - HA VAL 388 4.43 17 0.77 1.13 ++++ ++*+++ ++++ +++ peak 3138 Upper HG LEU 384 - H GLU 385 4.14 13 0.57 1.01 ++++ + +*+ ++ +++ peak 3021 Upper QD1 LEU 384 - H LEU 387 4.35 8 0.59 0.93 + *+ + + +++ peak 8320 Upper H GLU 385 - QD2 LEU 386 4.42 11 0.92 1.71 + ++ ++ * + + ++ + peak 1090 Upper HA GLU 385 - HG2 GLU 385 3.29 12 0.61 0.66 +++ +* ++ + ++++ peak 326 Upper HG2 GLU 385 - QD2 LEU 386 4.35 20 1.46 1.98 ++++++++++*+++++++++ peak 3031 Upper HG3 GLU 385 - QD1 LEU 386 4.04 20 1.22 1.46 +++++++*++++++++++++ peak 3057 Upper HG3 GLU 385 - QD2 LEU 386 4.03 20 1.22 1.60 ++++++++++*+++++++++ peak 3030 Upper H LEU 386 - HG LEU 386 3.52 8 0.29 0.88 +++ + + * + + peak 3075 Upper H LEU 386 - HB2 LEU 387 3.77 20 1.28 1.50 +++++++*++++++++++++ peak 1092 Upper HA LEU 386 - QD2 LEU 386 2.87 7 0.46 0.75 +*+ + + + + peak 827 Upper HA LEU 386 - HB3 LEU 389 4.51 15 0.70 1.47 +++++ ++ * +++++++ peak 1886 Upper HA LEU 386 - H GLU 390 4.37 16 0.68 0.86 +++++++* ++++++ ++ peak 3087 Upper H LEU 387 - HA VAL 388 3.93 20 0.84 0.98 +++++++++*++++++++++ peak 376 Upper QD1 LEU 387 - HA GLN 391 4.57 18 0.95 1.41 ++++*++++++ +++ ++++ peak 3219 Upper QD2 LEU 387 - H GLU 390 4.96 10 0.69 1.49 +++ +* ++ +++ peak 3092 Upper HB VAL 388 - H LEU 389 3.24 7 0.35 1.02 + + +* ++ + peak 1130 Upper HB VAL 388 - QD PHE 392 4.51 20 1.52 2.03 +++++++++++*++++++++ peak 142 Upper QG1 VAL 388 - H GLU 390 4.12 17 0.90 1.12 +++++++ + +++ *+++++ peak 8205 Upper QG1 VAL 388 - H GLN 391 3.97 18 0.67 0.74 +++++ *++++++++ ++++ peak 1159 Upper QG2 VAL 388 - HG3 PRO 412 4.28 12 0.60 1.09 +++++ ++ * ++++ peak 3778 Upper H LEU 389 - HG3 PRO 412 4.67 18 0.79 1.16 ++++++ *+++ ++++++++ peak 3813 Upper QD1 LEU 389 - HD2 PRO 412 4.70 9 0.38 0.96 +++ + +++ * + peak 3775 Upper QD2 LEU 389 - QD PHE 392 4.17 7 0.45 1.03 + + + +*+ + peak 3200 Upper QD2 LEU 389 - H ALA 416 4.39 13 0.73 1.27 + + +++* + ++++++ peak 979 Upper H GLN 391 - QD PHE 392 4.79 20 1.14 1.32 +++++++++++++++*++++ peak 1149 Upper HA GLN 391 - H ALA 395 5.16 13 0.65 0.90 + ++++ +++++++* peak 1860 Upper QE PHE 392 - HA PRO 412 3.44 10 0.67 1.22 ++ ++ ++++* + peak 111 Upper QD1 LEU 393 - H GLY 394 4.17 8 0.61 1.15 + + + + * + ++ peak 1179 Upper QD2 LEU 393 - HA LEU 396 4.50 20 1.37 1.92 +++++++++++++*++++++ peak 3288 Upper QD2 LEU 393 - HG3 PRO 409 3.73 8 0.59 1.23 + + + + + ++* peak 3266 Upper HA2 GLY 394 - HB2 LEU 396 4.70 17 0.80 1.16 ++++++++++++ *+ + ++ peak 3340 HA3 GLY 394 - HB2 LEU 396 Upper H ALA 395 - QD2 LEU 396 4.77 11 0.47 0.98 ++++++*+++ + peak 1112 Upper H LEU 396 - QG2 ILE 400 4.64 10 0.57 1.14 *+++ + ++ +++ peak 1673 Upper H LEU 396 - HA GLN 401 4.86 8 0.47 1.22 +++++ ++ * peak 462 Upper HA LEU 396 - HG2 PRO 397 3.73 20 0.81 0.92 +++++++++++++*++++++ peak 3408 Upper HB3 LEU 396 - HE22 GLN 401 4.92 15 0.92 1.53 ++ +++ ++ + +++++ *+ peak 1208 Upper QD1 LEU 396 - H GLN 405 4.70 8 0.53 0.73 * + ++ + +++ peak 1220 Upper QD2 LEU 396 - HG2 PRO 397 4.44 18 0.94 1.50 ++++++ ++ +++++*++++ peak 1748 Upper QD2 LEU 396 - HG3 PRO 397 5.09 10 0.60 1.06 ++ ++ + + * + ++ peak 3410 Upper QD2 LEU 396 - HD2 PRO 397 3.71 10 0.57 0.81 +*++++ ++ ++ peak 1751 Upper QD2 LEU 396 - H ILE 400 4.86 8 0.61 1.23 ++++ * +++ peak 284 Upper QD2 LEU 396 - HB2 GLN 401 5.39 13 0.77 1.44 +++++ ++++ + *++ peak 4060 Upper QD2 LEU 396 - HB3 GLN 401 5.44 19 0.89 1.21 +++++++*+++++ ++++++ peak 4064 Upper HB2 PRO 397 - HB ILE 400 4.10 19 1.38 2.02 +++++++++++ +++*++++ peak 3393 Upper HB2 PRO 397 - QD1 ILE 400 4.17 18 0.84 1.14 ++++++++++++ +*+ +++ peak 3396 Upper HB3 PRO 397 - HG12 ILE 400 3.63 8 0.59 1.56 + + +++* ++ peak 3476 QB GLU 399 - HG12 ILE 400 Upper HA GLU 399 - QD1 ILE 400 4.54 20 1.32 1.97 +++++++++++*++++++++ peak 2034 Upper HA GLU 399 - H GLN 401 4.48 11 0.61 0.82 ++ + +*++ ++ ++ peak 2032 Upper QB GLU 399 - QD1 ILE 400 3.24 18 1.03 1.97 ++++++ ++++*+++++ ++ peak 2725 Upper HG12 ILE 400 - QG1 VAL 419 3.90 19 1.49 2.08 +++++++++++ ++*+++++ peak 3953 Upper HA GLN 401 - HE22 GLN 401 4.97 8 0.54 1.09 *++ + + + ++ peak 477 Upper HG3 GLN 401 - QB ALA 402 4.48 17 0.80 1.04 ++++++++*+++ ++ +++ peak 4091 Upper H ARG 403 - HB VAL 404 4.88 16 0.66 0.82 + ++++++* ++ ++++ ++ peak 3442 Upper HA ARG 403 - QQG VAL 404 3.90 9 0.60 0.71 +++ + + +*+ + peak 3578 Upper HA VAL 404 - HE22 GLN 407 4.41 8 0.43 1.08 + *++ + ++ + peak 488 Upper HA VAL 404 - QD2 LEU 418 3.96 13 0.67 0.96 ++ + + ++ +++++* + peak 3938 Upper QB GLN 407 - H LEU 418 4.68 16 0.86 1.31 ++*+++ +++ +++ ++++ peak 3622 Upper HB3 PRO 409 - HB2 SER 411 5.00 7 0.37 0.96 +++ + + *+ peak 3740 Upper H GLU 413 - HA GLU 414 4.39 20 0.73 0.95 ++++++++*+++++++++++ peak 3875 Upper HG3 GLU 413 - H GLU 414 4.40 11 0.61 0.95 + *++ + +++ + ++ peak 3819 Upper HG3 GLU 413 - QB ALA 416 4.51 12 0.68 1.22 *++ +++ ++ + +++ peak 3839 Upper H GLU 414 - QD2 LEU 418 4.61 6 0.28 1.04 ++ + ++* peak 1278 Upper HA GLU 414 - HG2 GLU 414 3.34 7 0.55 0.67 ++ + +*+ + peak 504 Upper HA GLU 414 - H ALA 417 3.70 7 0.31 0.89 + *+ ++ ++ peak 577 Upper QB GLU 414 - H ALA 417 4.06 19 0.95 1.31 ++++++++ ++++*++++++ peak 1292 Upper HG2 GLU 414 - QD2 LEU 418 3.84 7 0.41 0.93 +++ ++ * + peak 3879 Upper QB ALA 415 - H ALA 417 3.72 11 0.71 1.33 ++ + ++ ++*+ + + peak 1295 Upper HA ALA 416 - H ASP 420 4.05 19 1.35 1.66 +++++++++++ *+++++++ peak 624 Upper H ALA 417 - HB2 ASP 420 4.69 16 0.88 1.65 + ++++++++ +++ *+++ peak 1289 Upper HA ALA 417 - HB3 ASP 420 3.58 11 0.55 1.04 +*+++++ + +++ peak 1485 Upper QB ALA 417 - HB3 ASP 420 4.32 13 0.81 1.33 + +*+++++ + + +++ peak 1487 Upper HA LEU 418 - QD2 LEU 418 2.75 12 0.59 1.11 +++++ *+ + ++++ peak 887 Upper HB2 LEU 418 - H VAL 419 3.39 11 0.40 0.72 +*+++ +++ +++ peak 1310 Upper HG LEU 418 - HA VAL 419 4.42 11 0.95 2.14 +*+ ++ +++ + ++ peak 3943 Upper H VAL 419 - HA ASP 420 4.69 19 0.71 0.79 +++++++*+++ ++++++++ peak 626 Upper QG1 VAL 419 - H LEU 422 4.72 15 0.65 0.81 +++*++++ +++ ++++ peak 1328 Upper HB3 ASP 420 - H LEU 422 4.85 12 0.53 0.96 + *+++ ++ ++ +++ peak 1323 Upper H GLY 421 - HB2 LEU 422 4.33 11 0.56 0.84 +++ + +++*+ + + peak 1319 Upper HA LEU 422 - QD1 LEU 422 3.46 12 0.56 0.64 + +*++ ++++ ++ + peak 933 Upper HA LEU 422 - QD2 LEU 422 2.84 15 0.56 0.83 + ++++ ++++++* ++ + peak 565 VdW HA2 GLY 39 - CD PRO 40 2.60 18 0.23 0.27 +++++*+ ++ +++++++++ VdW CB ALA 43 - HB2 TRP 72 2.60 16 0.29 0.42 + ++*+++ + + +++++++ VdW HB3 ALA 43 - HB2 TRP 72 2.00 6 0.10 0.29 * + ++ + + VdW O ARG 44 - CB ARG 48 2.90 12 0.19 0.43 ++ ++ + +* ++ ++ + VdW CB PHE 47 - HB3 LEU 68 2.60 6 0.10 0.40 + +* + + + VdW HB2 PHE 47 - CB LEU 68 2.60 10 0.21 0.54 ++ +* ++ +++ + VdW HB2 PHE 47 - HB3 LEU 68 2.00 7 0.14 0.59 + + ++ ++ * VdW CG PHE 47 - C PHE 47 2.90 20 0.24 0.25 ++++++++++++++++*+++ VdW CD1 PHE 47 - HA LEU 65 2.60 8 0.16 0.42 + + + +*+++ VdW HD1 PHE 47 - HA LEU 65 2.00 12 0.28 0.56 + + + + + +*+++++ VdW CE1 PHE 47 - CD2 LEU 87 3.20 9 0.18 0.57 + + + *++ ++ + VdW HE1 PHE 47 - HB3 LEU 65 2.00 13 0.22 0.43 + + ++ +++*+++++ VdW CZ PHE 47 - CD2 LEU 87 3.20 12 0.24 0.47 + +++ + ++ +++ * + VdW CZ PHE 47 - HD22 LEU 87 2.60 6 0.10 0.42 + + *+++ VdW CZ PHE 47 - CB GLN 91 3.20 19 0.33 0.48 +++++++++++++++*+ ++ VdW CZ PHE 47 - HB2 GLN 91 2.60 13 0.25 0.48 + ++++ +++ * +++ + VdW HZ PHE 47 - C LEU 87 2.50 8 0.18 0.47 + ++++* ++ VdW CE2 PHE 47 - HZ3 TRP 72 2.60 11 0.17 0.39 + + + + +++*+++ VdW CD2 PHE 47 - N ARG 48 3.05 11 0.18 0.43 + + * + + +++ +++ VdW HD2 PHE 47 - HA LEU 65 2.00 6 0.15 0.70 ++ + + + * VdW O PHE 47 - CG GLN 91 2.90 7 0.15 0.44 + ++ ++ + * VdW HA ARG 48 - CG GLN 91 2.60 7 0.15 0.47 * + + +++ + VdW HA ARG 48 - HG2 GLN 91 2.00 9 0.22 0.56 + * + + ++ + + + VdW HB3 PHE 50 - NE2 GLN 91 2.45 14 0.24 0.43 +* ++++ +++ +++ ++ VdW CD1 PHE 50 - CB ALA 61 3.20 9 0.17 0.51 *++ ++ + ++ + VdW CE1 PHE 50 - CA ALA 61 3.20 10 0.22 0.56 *++ ++ + +++ + VdW CE1 PHE 50 - HA ALA 61 2.60 9 0.20 0.59 ++ *+ + +++ + VdW CE1 PHE 50 - CB ALA 61 3.20 10 0.23 0.63 ++* ++ + +++ + VdW CE1 PHE 50 - HG3 GLN 64 2.60 6 0.16 1.00 + + * ++ + VdW CE1 PHE 50 - CD GLN 64 3.10 8 0.11 0.32 + ++ ++ *++ VdW HE1 PHE 50 - CD GLN 64 2.50 6 0.09 0.35 * ++ + + + VdW CZ PHE 50 - CG GLU 60 3.20 8 0.15 0.32 ++ + ++ +* + VdW CZ PHE 50 - HG3 GLU 60 2.60 13 0.23 0.67 + +++++ ++ + +++* VdW CZ PHE 50 - CD GLU 60 3.10 6 0.14 0.48 +* +++ + VdW CZ PHE 50 - HG3 GLN 64 2.60 10 0.23 0.72 + +++ +++* + + VdW HZ PHE 50 - CB GLU 60 2.60 6 0.12 0.51 + + + + + * VdW HZ PHE 50 - CG GLU 60 2.60 17 0.32 0.51 ++ ++++++++ +++ +++* VdW HZ PHE 50 - HG3 GLU 60 2.00 6 0.16 0.76 + ++ ++ * VdW HZ PHE 50 - CD GLU 60 2.50 9 0.28 0.75 +* +++ ++ + + VdW CE2 PHE 50 - HG3 GLU 60 2.60 9 0.15 0.42 + +++ + + + +* VdW CE2 PHE 50 - CA ALA 61 3.20 8 0.18 0.56 + ++ *+ ++ + VdW CE2 PHE 50 - HA ALA 61 2.60 8 0.18 0.76 + ++ *+ + ++ VdW CE2 PHE 50 - CB ALA 61 3.20 8 0.19 0.66 + ++ ++ ++ * VdW CE2 PHE 50 - HG3 GLN 64 2.60 9 0.13 0.50 +++ ++ + + * + VdW CE2 PHE 50 - CD GLN 64 3.10 6 0.11 0.42 ++ + +* + VdW HE2 PHE 50 - HG3 GLU 60 2.00 6 0.11 0.39 + ++ + +* VdW CD2 PHE 50 - CB ALA 61 3.20 7 0.14 0.50 + *+ ++ ++ VdW HA HIS 51 - O GLY 94 2.30 15 0.29 0.59 +*+++ +++++ ++ +++ VdW CG HIS 51 - O HIS 51 2.90 9 0.18 0.43 *++ + + + + ++ VdW N TYR 52 - O ALA 95 2.75 20 0.46 0.61 *+++++++++++++++++++ VdW H TYR 52 - C ALA 95 2.45 13 0.21 0.32 +++ ++ ++++* + ++ VdW H TYR 52 - O ALA 95 1.80 9 0.24 0.40 ++ +++ ++ + * VdW CA TYR 52 - O ALA 95 2.90 10 0.19 0.42 + * +++ + +++ + VdW CB TYR 52 - O GLY 57 2.90 18 0.63 0.80 +++++++++++ +++ +*++ VdW CB TYR 52 - O ALA 95 2.90 11 0.22 0.40 * ++ ++ + +++ + + VdW HB2 TYR 52 - O GLY 57 2.30 18 0.54 0.82 +++*+++++++ +++ ++++ VdW HB3 TYR 52 - CA ALA 95 2.60 7 0.15 0.38 ++ + ++ * + VdW CG TYR 52 - C TYR 52 2.90 18 0.20 0.24 +++++++*+++ +++ ++++ VdW CG TYR 52 - C GLY 57 3.10 18 0.63 0.75 ++++*++++++ +++ ++++ VdW CG TYR 52 - O GLY 57 2.90 18 0.78 1.10 ++++++*++++ +++ ++++ VdW CG TYR 52 - O ALA 95 2.90 11 0.23 0.75 + + ++ ++ ++*+ + VdW CD1 TYR 52 - C TYR 52 3.10 8 0.20 0.55 + + * + + +++ VdW CD1 TYR 52 - N GLY 57 3.05 8 0.18 0.62 + * + + + +++ VdW CD1 TYR 52 - H GLY 57 2.55 6 0.13 0.61 + + * + ++ VdW CD1 TYR 52 - CA GLY 57 3.20 8 0.21 0.70 + + + * + +++ VdW CD1 TYR 52 - C GLY 57 3.10 17 0.42 0.75 +++++*+++++ +++ +++ VdW CD1 TYR 52 - O GLY 57 2.90 12 0.26 0.69 + + +*+ +++ ++++ VdW CD1 TYR 52 - N PRO 58 3.05 10 0.22 0.53 +* ++ + + +++ + VdW CD1 TYR 52 - CA PRO 58 3.20 10 0.23 0.56 +* ++ + + +++ + VdW CD1 TYR 52 - HA PRO 58 2.60 10 0.24 0.60 +* ++ + + +++ + VdW CD1 TYR 52 - C ALA 95 3.10 10 0.21 0.52 ++ +* + + +++ + VdW CD1 TYR 52 - O ALA 95 2.90 7 0.13 0.34 + + + +*+ + VdW CD1 TYR 52 - HA LEU 96 2.60 7 0.11 0.27 * ++ + + + + VdW HD1 TYR 52 - O GLU 53 2.30 7 0.11 0.45 * + + + +++ VdW HD1 TYR 52 - HA PRO 58 2.00 10 0.22 0.72 ++ +* + + +++ + VdW HD1 TYR 52 - CB ALA 95 2.60 7 0.12 0.47 ++ +* + + + VdW HD1 TYR 52 - C ALA 95 2.50 10 0.23 0.60 ++ ++ + + +*+ + VdW HD1 TYR 52 - N LEU 96 2.45 8 0.13 0.34 ++ + + +++ * VdW CE1 TYR 52 - N GLY 57 3.05 6 0.10 0.31 + + + * ++ VdW CE1 TYR 52 - CA GLY 57 3.20 8 0.25 0.75 + + + + + *++ VdW CE1 TYR 52 - HA2 GLY 57 2.60 8 0.27 0.88 + + + * + +++ VdW CE1 TYR 52 - N PRO 58 3.05 7 0.14 0.51 + +* + +++ VdW CE1 TYR 52 - HA LEU 96 2.60 10 0.23 0.64 ++ *+ + + +++ + VdW HE1 TYR 52 - CD1 LEU 96 2.60 6 0.14 0.60 + * + + ++ VdW CZ TYR 52 - CA GLY 57 3.20 12 0.17 0.33 +++ ++* ++ + +++ VdW CZ TYR 52 - HA2 GLY 57 2.60 17 0.40 0.60 +++++++++++ + + *+++ VdW CE2 TYR 52 - N GLY 57 3.05 8 0.14 0.40 ++ ++ + + * + VdW CE2 TYR 52 - CA GLY 57 3.20 10 0.32 0.74 ++ ++ + + +++ * VdW CE2 TYR 52 - HA2 GLY 57 2.60 10 0.34 0.85 ++ ++ + + +++ * VdW CE2 TYR 52 - N PRO 58 3.05 6 0.13 0.53 + + + ++* VdW CE2 TYR 52 - HA LEU 96 2.60 9 0.25 0.68 + + * + + ++++ VdW CD2 TYR 52 - C TYR 52 3.10 11 0.26 0.55 ++ +* + + ++++ + VdW CD2 TYR 52 - N GLY 57 3.05 10 0.23 0.59 ++ ++ * + +++ + VdW CD2 TYR 52 - H GLY 57 2.55 8 0.15 0.53 + +* + + ++ + VdW CD2 TYR 52 - CA GLY 57 3.20 10 0.27 0.70 ++ ++ + + +++ * VdW CD2 TYR 52 - C GLY 57 3.10 18 0.48 0.82 +++++++++++ +++ +++* VdW CD2 TYR 52 - O GLY 57 2.90 14 0.33 0.74 ++ ++*+ ++ +++ +++ VdW CD2 TYR 52 - N PRO 58 3.05 8 0.19 0.55 + + + + + ++* VdW CD2 TYR 52 - CA PRO 58 3.20 8 0.19 0.59 + + + + + ++* VdW CD2 TYR 52 - HA PRO 58 2.60 8 0.19 0.63 + + + + + ++* VdW CD2 TYR 52 - C ALA 95 3.10 8 0.19 0.58 + + * + + +++ VdW CD2 TYR 52 - O ALA 95 2.90 8 0.15 0.75 + + + + *+++ VdW CD2 TYR 52 - HA LEU 96 2.60 8 0.11 0.39 * + + + + +++ VdW HD2 TYR 52 - O GLU 53 2.30 6 0.12 0.41 + ++ * + + VdW HD2 TYR 52 - HA PRO 58 2.00 8 0.20 0.73 + + + + + ++* VdW HD2 TYR 52 - C ALA 95 2.50 8 0.19 0.57 + + + + + *++ VdW HD2 TYR 52 - N LEU 96 2.45 6 0.10 0.36 + + + + *+ VdW OH TYR 52 - C THR 356 2.80 9 0.17 0.39 ++ *+ ++ +++ VdW H GLU 53 - CG GLU 53 2.55 9 0.18 0.35 + +*+ ++ + ++ VdW C GLU 53 - N ALA 55 2.95 17 0.37 0.49 +*+ +++++++ +++ ++++ VdW C GLU 53 - H ALA 55 2.45 17 0.50 0.70 +++ +++++++ +++ ++*+ VdW O GLU 53 - C GLU 54 2.80 7 0.17 0.43 *++ + + + + VdW O GLU 53 - N ALA 55 2.75 17 0.52 0.81 *++ +++++++ +++ ++++ VdW O GLU 53 - N THR 56 2.75 18 0.33 0.54 ++*++++++++ +++ ++++ VdW O GLU 53 - H THR 56 1.80 10 0.17 0.40 ++ ++ + *++ + + VdW HB3 GLU 54 - O GLU 354 2.30 6 0.09 0.27 + + + + * + VdW O GLU 54 - O GLU 354 2.60 15 0.44 0.82 +++++*+ +++ + + +++ VdW O ALA 55 - CD1 ILE 400 2.90 16 0.31 0.45 ++++++ *+++ ++ ++++ VdW OG1 THR 56 - CA ASP 420 2.90 16 0.30 0.58 +++ +++ +++ ++* ++++ VdW OG1 THR 56 - HA ASP 420 2.30 6 0.14 0.60 + + + + +* VdW OG1 THR 56 - CB ASP 420 2.90 16 0.37 0.79 ++ +++++++ +++ *+++ VdW OG1 THR 56 - HB2 ASP 420 2.30 16 0.43 1.05 ++ +++++++ +++ *+++ VdW CG2 THR 56 - C THR 56 2.90 7 0.14 0.30 + ++ *+ ++ VdW CG2 THR 56 - CB GLU 60 3.20 6 0.11 0.31 * ++ ++ + VdW HG22 THR 56 - HG2 GLU 60 2.00 6 0.09 0.35 + + ++ +* VdW C THR 56 - OH TYR 352 2.80 6 0.10 0.37 +* + +++ VdW C THR 56 - CD PRO 358 3.10 6 0.11 0.35 + + + ++ * VdW C THR 56 - HD3 PRO 358 2.50 11 0.25 0.56 ++ +++ +* ++++ VdW O THR 56 - CD PRO 358 2.90 15 0.45 0.75 +++ +++ ++* + + ++++ VdW O THR 56 - HD3 PRO 358 2.30 13 0.55 1.13 +++ +++ +* ++ +++ VdW CA GLY 57 - CA GLY 357 3.20 18 0.77 1.09 +++++++++++ +++ *+++ VdW CA GLY 57 - HA2 GLY 357 2.60 18 0.53 0.71 +++++++*+++ +++ ++++ VdW CA GLY 57 - HA3 GLY 357 2.60 18 0.65 1.05 +++++++++++ +++ *+++ VdW CA GLY 57 - CD PRO 358 3.20 18 0.82 1.02 +++++++++++ *++ ++++ VdW CA GLY 57 - HD2 PRO 358 2.60 18 0.82 0.99 +++++++++++ *++ ++++ VdW CA GLY 57 - HD3 PRO 358 2.60 18 0.38 0.59 +++++++++++ +++ +++* VdW HA2 GLY 57 - CA GLY 357 2.60 18 0.53 0.74 ++*++++++++ +++ ++++ VdW HA2 GLY 57 - HA2 GLY 357 2.00 12 0.19 0.44 ++++ * ++ ++ + ++ VdW HA2 GLY 57 - HA3 GLY 357 2.00 18 0.41 0.64 ++*++++++++ +++ ++++ VdW HA3 GLY 57 - CA GLY 357 2.60 18 0.65 1.07 +++++++++++ +++ *+++ VdW HA3 GLY 57 - HA2 GLY 357 2.00 17 0.41 0.57 +++ +++++*+ +++ ++++ VdW HA3 GLY 57 - HA3 GLY 357 2.00 11 0.20 0.60 ++ +++ ++ + *++ VdW HA3 GLY 57 - C GLY 357 2.50 10 0.16 0.45 ++ ++ ++ + *++ VdW HA3 GLY 57 - N PRO 358 2.45 14 0.28 0.45 +++ ++++ ++ + *+++ VdW HA3 GLY 57 - CD PRO 358 2.60 18 0.99 1.19 ++*++++++++ +++ ++++ VdW HA3 GLY 57 - HD2 PRO 358 2.00 18 0.55 0.82 +++++++++++ ++* ++++ VdW HA3 GLY 57 - HD3 PRO 358 2.00 18 0.54 0.82 +++++++++++ +++ +++* VdW C GLY 57 - HA3 GLY 357 2.50 9 0.15 0.41 + +++ ++ *++ VdW C GLY 57 - CD PRO 358 3.10 18 0.50 0.68 +++++++++++ *++ ++++ VdW C GLY 57 - HD2 PRO 358 2.50 18 0.90 1.13 +++++++++++ *++ ++++ VdW N PRO 58 - HA3 GLY 357 2.45 17 0.29 0.42 +++++++++++ ++ *+++ VdW N PRO 58 - CD PRO 358 3.05 9 0.16 0.31 + + ++ +* +++ VdW N PRO 58 - HD2 PRO 358 2.45 18 0.51 0.75 +++++++++++ +*+ ++++ VdW CD PRO 58 - O THR 356 2.90 17 0.50 0.78 +*+++++++++ + + ++++ VdW CD PRO 58 - CA GLY 357 3.20 18 0.83 1.06 +++++++++++ +++ +++* VdW CD PRO 58 - HA3 GLY 357 2.60 18 1.00 1.29 +++++++++++ +*+ ++++ VdW CD PRO 58 - C GLY 357 3.10 18 0.51 0.70 +++++++++++ +++ +*++ VdW CD PRO 58 - N PRO 358 3.05 8 0.15 0.33 + + ++ + *++ VdW CA PRO 58 - CB ALA 95 3.20 8 0.15 0.30 + *+ ++ + ++ VdW CA PRO 58 - HB2 GLN 359 2.60 16 0.38 0.68 ++++++++*++ + + +++ VdW HA PRO 58 - CB ALA 95 2.60 18 0.43 0.61 +++*+++++++ +++ ++++ VdW HA PRO 58 - HB1 ALA 95 2.00 9 0.17 0.49 +++*+ + + + + VdW HA PRO 58 - HB2 ALA 95 2.00 8 0.15 0.57 + + + + ++ * + VdW HA PRO 58 - HB3 ALA 95 2.00 8 0.14 0.36 + ++ *+ + + + VdW CB PRO 58 - CD1 LEU 96 3.20 10 0.23 0.65 + ++ +++ +* + + VdW CB PRO 58 - CB GLN 359 3.20 18 0.62 1.01 ++++++++*++ +++ ++++ VdW CB PRO 58 - HB2 GLN 359 2.60 18 0.82 1.29 ++++++++*++ +++ ++++ VdW HB2 PRO 58 - CB GLN 359 2.60 18 0.75 1.19 ++++++++*++ +++ ++++ VdW HB2 PRO 58 - HB2 GLN 359 2.00 18 0.63 0.93 ++++++++*++ +++ ++++ VdW HB2 PRO 58 - HB3 GLN 359 2.00 13 0.22 0.45 +++++++ *++ + ++ VdW HB3 PRO 58 - CD1 LEU 96 2.60 10 0.46 1.10 + ++ +++ +* + + VdW HB3 PRO 58 - HD11 LEU 96 2.00 6 0.18 0.66 + + +* + + VdW HB3 PRO 58 - HD12 LEU 96 2.00 8 0.18 0.61 * + +++ + + + VdW HB3 PRO 58 - HD13 LEU 96 2.00 9 0.18 0.56 + ++ ++* ++ + VdW CG PRO 58 - CB GLN 359 3.20 18 0.45 0.68 ++++++++*++ +++ ++++ VdW CG PRO 58 - HB2 GLN 359 2.60 18 0.55 1.02 +++++++++++ +*+ ++++ VdW CG PRO 58 - H GLU 360 2.55 14 0.33 0.64 +++++++++++ + *+ VdW HG2 PRO 58 - N GLN 359 2.45 18 0.42 0.63 +++++++++++ +*+ ++++ VdW HG2 PRO 58 - CA GLN 359 2.60 18 0.38 0.48 ++++++*++++ +++ ++++ VdW HG2 PRO 58 - CB GLN 359 2.60 18 0.46 0.70 +++++++++++ ++* ++++ VdW HG2 PRO 58 - HB2 GLN 359 2.00 14 0.31 0.71 +++ ++++++ +++ + * VdW HG2 PRO 58 - N GLU 360 2.45 10 0.17 0.34 + +++* ++ + ++ VdW HG2 PRO 58 - H GLU 360 1.95 14 0.34 0.59 +++++++++++ + +* VdW HD2 PRO 58 - CA GLY 357 2.60 18 0.83 1.05 +++++++++++ +*+ ++++ VdW HD2 PRO 58 - HA3 GLY 357 2.00 18 0.57 0.81 +++++++++++ ++* ++++ VdW HD2 PRO 58 - C GLY 357 2.50 18 0.91 1.13 +++++++++++ +++ +*++ VdW HD2 PRO 58 - N PRO 358 2.45 18 0.51 0.73 +++++++++++ +++ +*++ VdW HD2 PRO 58 - CD PRO 358 2.60 6 0.15 0.36 ++ + * + + VdW HD3 PRO 58 - C THR 356 2.50 13 0.29 0.63 +* ++++ ++ + ++++ VdW HD3 PRO 58 - O THR 356 2.30 15 0.69 1.17 +*+++++ +++ + + +++ VdW HD3 PRO 58 - CA GLY 357 2.60 18 0.38 0.60 +++++++++++ +++ +++* VdW HD3 PRO 58 - HA3 GLY 357 2.00 18 0.55 0.81 +++++++++++ +*+ ++++ VdW C PRO 58 - CB GLN 359 3.10 16 0.26 0.51 ++++++++*++ + + +++ VdW C PRO 58 - HB2 GLN 359 2.50 16 0.45 0.71 +++*+++++++ + + +++ VdW C PRO 58 - CD GLN 359 3.00 15 0.48 0.72 +++++++* ++ + + +++ VdW C PRO 58 - NE2 GLN 359 2.95 15 0.46 0.70 +*++++++ ++ + + +++ VdW O PRO 58 - C GLN 59 2.80 16 0.25 0.44 +++ ++ ++++++++* ++ VdW O PRO 58 - N ALA 61 2.75 7 0.19 0.33 +++ +* + + VdW O PRO 58 - H ALA 61 1.80 7 0.18 0.31 +++ *+ + + VdW O PRO 58 - CD GLN 359 2.80 15 0.49 0.78 +++*++++ ++ + + +++ VdW O PRO 58 - NE2 GLN 359 2.75 17 0.89 1.20 +++++++++*+ + + ++++ VdW O PRO 58 - HE22 GLN 359 1.80 12 0.18 0.29 +++ ++++ ++ + * + VdW N GLN 59 - HG2 PRO 358 2.45 18 0.42 0.69 +++++++++++ +++ +++* VdW N GLN 59 - N GLN 359 2.90 18 0.67 0.96 ++++++++*++ +++ ++++ VdW N GLN 59 - H GLN 359 1.80 17 0.35 0.58 ++++++++*++ ++ ++++ VdW N GLN 59 - CA GLN 359 3.05 17 0.39 0.58 ++++++++*++ +++ +++ VdW N GLN 59 - CB GLN 359 3.05 18 0.59 0.82 +++++++++++ *++ ++++ VdW N GLN 59 - HB2 GLN 359 2.45 16 0.55 0.81 +++*+++++++ + + +++ VdW N GLN 59 - CG GLN 359 3.05 17 0.33 0.92 +++++++++++ ++ +++* VdW N GLN 59 - CD GLN 359 2.95 7 0.14 0.31 + ++* + + + VdW H GLN 59 - N GLN 359 1.80 17 0.35 0.50 +++++++++++ *++ +++ VdW H GLN 59 - H GLN 359 1.90 18 1.16 1.52 ++++++++*++ +++ ++++ VdW H GLN 59 - CA GLN 359 2.55 15 0.31 0.57 +++ +++++++ *+ +++ VdW H GLN 59 - CB GLN 359 2.55 13 0.25 0.50 +++ ++++ ++ * +++ VdW H GLN 59 - HB2 GLN 359 1.95 14 0.23 0.44 ++++++++ ++ * +++ VdW CA GLN 59 - HG2 PRO 358 2.60 18 0.38 0.61 +++++++++++ +++ +++* VdW CA GLN 59 - N GLN 359 3.05 18 0.39 0.63 ++++++++*++ +++ ++++ VdW CA GLN 59 - H GLN 359 2.55 14 0.31 0.51 +++++++ +++ + ++* VdW CA GLN 59 - CA GLN 359 3.20 16 0.25 0.42 +++++++++++ * + +++ VdW CA GLN 59 - CB GLN 359 3.20 7 0.15 0.28 ++ ++ * + + VdW CA GLN 59 - CG GLN 359 3.20 16 0.30 0.50 ++++++++ ++ ++ +++* VdW CA GLN 59 - HG3 GLN 359 2.60 13 0.20 0.40 ++++++*+ ++ + ++ VdW CA GLN 59 - NE2 GLN 359 3.05 18 0.45 0.82 +++++++++++ +++ +++* VdW CA GLN 59 - HE21 GLN 359 2.55 17 0.48 0.65 ++++*+++ ++ +++ ++++ VdW HA GLN 59 - CG GLN 359 2.60 15 0.38 0.61 ++++++*+ ++ + ++++ VdW HA GLN 59 - HG3 GLN 359 2.00 14 0.48 0.79 ++++++*+ ++ + +++ VdW HA GLN 59 - HE21 GLN 359 1.95 15 0.24 0.49 ++++++++ ++ + + *++ VdW CB GLN 59 - CB PRO 358 3.20 18 0.62 1.06 ++++++++*++ +++ ++++ VdW CB GLN 59 - HB2 PRO 358 2.60 18 0.75 1.20 ++++++++*++ +++ ++++ VdW CB GLN 59 - CG PRO 358 3.20 18 0.46 0.80 ++++++++*++ +++ ++++ VdW CB GLN 59 - HG2 PRO 358 2.60 18 0.47 0.79 +++++++++++ ++* ++++ VdW CB GLN 59 - C PRO 358 3.10 16 0.26 0.46 +++ ++++*++ ++ ++++ VdW CB GLN 59 - N GLN 359 3.05 18 0.60 0.77 ++*++++++++ +++ ++++ VdW CB GLN 59 - H GLN 359 2.55 13 0.23 0.39 +++++++ ++ + ++* VdW CB GLN 59 - CA GLN 359 3.20 9 0.14 0.29 + + ++ ++ * + + VdW CB GLN 59 - CE1 PHE 392 3.20 6 0.09 0.29 +++ + * + VdW CB GLN 59 - CZ PHE 392 3.20 14 0.27 0.58 ++ +++++++ + * ++ + VdW HB2 GLN 59 - CA PRO 358 2.60 17 0.39 0.62 ++++++++*++ ++ ++++ VdW HB2 GLN 59 - CB PRO 358 2.60 18 0.84 1.36 ++++++++*++ +++ ++++ VdW HB2 GLN 59 - HB2 PRO 358 2.00 18 0.65 0.91 ++++++++*++ +++ ++++ VdW HB2 GLN 59 - CG PRO 358 2.60 18 0.55 1.19 +++++++++++ ++* ++++ VdW HB2 GLN 59 - HG2 PRO 358 2.00 16 0.32 1.06 ++++++++++ +* ++++ VdW HB2 GLN 59 - C PRO 358 2.50 17 0.45 0.62 ++*++++++++ ++ ++++ VdW HB2 GLN 59 - N GLN 359 2.45 17 0.55 0.78 +++++++++++ ++ *+++ VdW HB2 GLN 59 - H GLN 359 1.95 14 0.22 0.37 ++*+++++ ++ + +++ VdW HB3 GLN 59 - HB2 PRO 358 2.00 13 0.22 0.43 + + +++ +++ +* +++ VdW HB3 GLN 59 - CZ PHE 392 2.60 17 0.39 0.68 +++ +++++++ ++* ++++ VdW HB3 GLN 59 - HZ PHE 392 2.00 13 0.27 0.79 ++ +++++ + + * ++ + VdW CG GLN 59 - N GLN 359 3.05 15 0.27 0.58 +++++++ +++ + * +++ VdW CG GLN 59 - CA GLN 359 3.20 15 0.26 0.44 ++++++*+ ++ + + +++ VdW CG GLN 59 - HA GLN 359 2.60 15 0.37 0.61 ++++++*+ ++ ++ +++ VdW CG GLN 59 - CD1 LEU 362 3.20 8 0.12 0.35 + +++ + + *+ VdW CG GLN 59 - CD1 PHE 392 3.20 8 0.11 0.39 ++*++ + ++ VdW CG GLN 59 - CE1 PHE 392 3.20 9 0.34 0.87 +++++ + + *+ VdW CG GLN 59 - CZ PHE 392 3.20 12 0.28 0.70 ++ ++ ++* + + ++ + VdW CG GLN 59 - CE2 PHE 392 3.20 9 0.34 0.86 ++*++ ++ ++ VdW CG GLN 59 - CD2 PHE 392 3.20 6 0.10 0.39 + + * ++ + VdW HG2 GLN 59 - CD1 PHE 392 2.60 8 0.23 0.76 ++*++ + ++ VdW HG2 GLN 59 - CE1 PHE 392 2.60 8 0.45 1.33 +++++ + *+ VdW HG2 GLN 59 - HE1 PHE 392 2.00 8 0.19 0.62 +++++ + *+ VdW HG2 GLN 59 - CZ PHE 392 2.60 7 0.18 0.63 ++ + + *+ + VdW HG2 GLN 59 - CE2 PHE 392 2.60 8 0.43 1.22 ++* + ++ ++ VdW HG2 GLN 59 - HE2 PHE 392 2.00 8 0.23 0.79 +++ + ++ +* VdW HG2 GLN 59 - CD2 PHE 392 2.60 8 0.22 0.73 ++* + ++ ++ VdW HG3 GLN 59 - CA GLN 359 2.60 11 0.17 0.36 +++ ++* ++ + ++ VdW HG3 GLN 59 - HA GLN 359 2.00 16 0.48 0.76 ++++++*+ ++ ++ ++++ VdW CD GLN 59 - C PRO 358 3.00 16 0.50 0.75 +++*++++ ++ ++ ++++ VdW CD GLN 59 - O PRO 358 2.80 16 0.53 0.82 ++++++*+ ++ ++ ++++ VdW OE1 GLN 59 - CG PHE 392 2.90 6 0.12 0.26 ++ +* + + VdW OE1 GLN 59 - CD1 PHE 392 2.90 6 0.11 0.38 ++* + + + VdW OE1 GLN 59 - CE2 PHE 392 2.90 8 0.12 0.50 ++ *+ + + ++ VdW OE1 GLN 59 - CD2 PHE 392 2.90 8 0.16 0.43 ++ ++ + * ++ VdW NE2 GLN 59 - C PRO 358 2.95 16 0.47 0.68 ++++++++ ++ ++ ++*+ VdW NE2 GLN 59 - O PRO 358 2.75 18 0.92 1.21 +++++++++++ +++ ++*+ VdW NE2 GLN 59 - CA GLN 359 3.05 18 0.45 0.93 ++++++++*++ +++ ++++ VdW NE2 GLN 59 - HA GLN 359 2.45 7 0.19 0.83 + ++++ * + VdW NE2 GLN 59 - C GLN 359 2.95 18 0.46 0.97 ++++++++*++ +++ ++++ VdW NE2 GLN 59 - O GLN 359 2.75 13 0.32 1.07 + + +++*++ +++ + + VdW NE2 GLN 59 - N ALA 361 2.90 12 0.21 0.45 +++ ++ ++ *+ + ++ VdW NE2 GLN 59 - N LEU 362 2.90 15 0.32 0.60 +++ ++*++++ +++ ++ VdW NE2 GLN 59 - H LEU 362 1.80 12 0.20 0.48 +++ ++* ++ ++ ++ VdW HE21 GLN 59 - CA GLN 359 2.55 17 0.49 0.63 +++*+++++++ ++ ++++ VdW HE21 GLN 59 - HA GLN 359 1.95 15 0.28 0.56 +++*++++ ++ + ++++ VdW HE21 GLN 59 - C GLN 359 2.45 18 0.55 0.75 ++++++++++* +++ ++++ VdW HE21 GLN 59 - H LEU 362 1.90 14 0.29 0.57 *++ ++++ ++ ++ +++ VdW HE22 GLN 59 - O PRO 358 1.80 12 0.19 0.33 +++*+++ + + +++ VdW HE22 GLN 59 - H ALA 361 1.90 16 0.41 0.69 ++++++++ ++ *+ ++++ VdW HE22 GLN 59 - CA ALA 361 2.55 15 0.25 0.56 +++ ++++ ++ +* ++++ VdW HE22 GLN 59 - CB ALA 361 2.55 16 0.36 0.60 ++++++++ ++ ++ +++* VdW HE22 GLN 59 - H LEU 362 1.90 8 0.19 0.58 +++++ +* + VdW C GLN 59 - N ALA 61 2.95 19 0.29 0.41 +++++++++++ +++*++++ VdW C GLN 59 - H ALA 61 2.45 17 0.30 0.48 +++++++++++ + ++++* VdW C GLN 59 - NE2 GLN 359 2.95 18 0.46 0.87 ++++++++*++ +++ ++++ VdW C GLN 59 - HE21 GLN 359 2.45 18 0.55 0.76 +++++++++++ *++ ++++ VdW C GLN 59 - CB ALA 416 3.10 8 0.24 0.55 + + +* ++ + + VdW C GLN 59 - O ALA 416 2.80 6 0.08 0.32 +++ ++ * VdW O GLN 59 - C GLU 60 2.80 15 0.23 0.43 +++ + ++*++++++++ VdW O GLN 59 - N ALA 61 2.75 19 0.40 0.65 +++++++++++ +++*++++ VdW O GLN 59 - N LEU 62 2.75 10 0.20 0.44 + ++* ++++++ VdW O GLN 59 - NE2 GLN 359 2.75 13 0.33 1.04 + ++ +++* +++ + ++ VdW O GLN 59 - CB ALA 416 2.90 18 0.48 0.72 ++++++++*++ +++ ++++ VdW O GLN 59 - HB1 ALA 416 2.30 8 0.23 0.82 +* ++ + +++ VdW O GLN 59 - HB3 ALA 416 2.30 8 0.19 0.62 +++ + ++ * + VdW O GLN 59 - O ALA 416 2.60 7 0.21 0.71 + *+ ++ ++ VdW N GLU 60 - HG2 PRO 358 2.45 11 0.18 0.33 + + +++ +* ++ ++ VdW H GLU 60 - CG PRO 358 2.55 15 0.37 0.67 +++ +++++++ +* +++ VdW H GLU 60 - HG2 PRO 358 1.95 16 0.37 0.57 +++ ++++++* ++ ++++ VdW CA GLU 60 - O ALA 416 2.90 16 0.52 0.93 ++++++* +++ + + ++++ VdW HA GLU 60 - C ALA 416 2.50 16 0.33 0.72 ++++++ ++ + ++* ++++ VdW HA GLU 60 - O ALA 416 2.30 18 0.59 1.07 ++++++*++++ +++ ++++ VdW HB2 GLU 60 - HB2 ASP 420 2.00 8 0.13 0.42 +++ +*+ + + VdW CG GLU 60 - C GLU 60 2.90 8 0.12 0.24 + ++ + + * + + VdW CG GLU 60 - CB ASP 420 3.20 6 0.12 0.42 +++ ++ * VdW HG3 GLU 60 - C GLU 60 2.50 8 0.14 0.44 ++ +++ + + * VdW CD GLU 60 - NE2 GLN 64 2.95 9 0.16 0.40 ++++ ++ * + + VdW CD GLU 60 - HE21 GLN 64 2.45 9 0.20 0.51 +++ ++ * +++ VdW CD GLU 60 - CB ASP 420 3.10 13 0.35 0.66 ++ +++* ++ + ++++ VdW CD GLU 60 - HB3 ASP 420 2.50 11 0.32 0.88 ++++* ++ + +++ VdW OE1 GLU 60 - NE2 GLN 64 2.75 10 0.26 0.87 + +++++ + + * + VdW OE1 GLU 60 - HA ALA 417 2.30 7 0.11 0.36 +* + + + ++ VdW OE1 GLU 60 - CB ASP 420 2.90 6 0.11 0.65 * ++ + ++ VdW OE1 GLU 60 - HB3 ASP 420 2.30 6 0.16 0.58 *+ + + + + VdW OE2 GLU 60 - NE2 GLN 64 2.75 6 0.16 0.67 * + + + ++ VdW OE2 GLU 60 - HB3 ASP 420 2.30 9 0.17 0.54 + * ++ ++ + ++ VdW C GLU 60 - O ALA 416 2.80 8 0.29 0.87 + +++ +* ++ VdW O GLU 60 - CG GLN 64 2.90 15 0.29 0.77 + *++ + +++ +++++++ VdW O GLU 60 - HG3 GLN 64 2.30 6 0.15 0.42 + + + ++ * VdW O GLU 60 - O ALA 416 2.60 7 0.11 0.50 * ++ ++ ++ VdW N ALA 61 - NE2 GLN 359 2.90 14 0.22 0.41 ++++++++ + + + ++* VdW H ALA 61 - HE22 GLN 359 1.90 15 0.39 0.62 ++++++++ ++ * + +++ VdW CA ALA 61 - HE22 GLN 359 2.55 14 0.26 0.49 +++*++++ + + + +++ VdW CB ALA 61 - HE22 GLN 359 2.55 15 0.36 0.59 +++++++* ++ + + +++ VdW HB1 ALA 61 - CB ALA 95 2.60 6 0.10 0.36 + ++ + *+ VdW C ALA 61 - CD1 LEU 65 3.10 6 0.08 0.34 * + ++ + + VdW O ALA 61 - C LEU 62 2.80 12 0.22 0.43 + ++ +++++*+ ++ VdW O ALA 61 - N LEU 65 2.75 16 0.21 0.32 +++*++++ ++ +++ +++ VdW O ALA 61 - H LEU 65 1.80 15 0.21 0.29 ++++++++ ++ +++ +* VdW O ALA 61 - CG LEU 65 2.90 10 0.18 0.52 +*+ + +++ ++ + VdW O ALA 61 - HG LEU 65 2.30 11 0.35 0.88 +++ + +++ *+ + + VdW N LEU 62 - NE2 GLN 359 2.90 13 0.33 0.65 ++++++* +++ + ++ VdW H LEU 62 - NE2 GLN 359 1.80 11 0.20 0.53 + ++++* ++ + ++ VdW H LEU 62 - HE21 GLN 359 1.90 14 0.31 0.60 +++++++ ++* + +++ VdW H LEU 62 - HE22 GLN 359 1.90 9 0.20 0.63 + +++++ + + * VdW CA LEU 62 - CD1 LEU 62 3.00 8 0.11 0.26 + + ++ * + ++ VdW HA LEU 62 - CD1 LEU 62 2.60 9 0.19 0.46 + + ++ + +++* VdW CB LEU 62 - CD1 LEU 362 3.20 9 0.17 0.54 * +++ + + + ++ VdW CG LEU 62 - CD1 LEU 362 3.20 7 0.16 0.51 + + * + + ++ VdW CD1 LEU 62 - HB2 PRO 112 2.60 11 0.24 0.67 + + + ++ +*++++ VdW CD1 LEU 62 - CG GLN 359 3.20 6 0.08 0.35 +* + ++ + VdW CD1 LEU 62 - CB LEU 362 3.20 6 0.10 0.43 *+ ++ + + VdW HD11 LEU 62 - HB2 PRO 112 2.00 6 0.11 0.60 * ++ +++ VdW HD12 LEU 62 - HB2 PRO 112 2.00 6 0.10 0.53 + +*+++ VdW CD2 LEU 62 - HB2 PRO 112 2.60 9 0.24 0.78 ++ * ++ + ++ + VdW CD2 LEU 62 - CG GLN 359 3.20 6 0.12 0.60 + * + + + + VdW CD2 LEU 62 - CD1 LEU 362 3.20 7 0.15 0.76 + + + + * ++ VdW CA ALA 63 - O GLU 413 2.90 17 0.45 0.65 +++++++ ++* +++ ++++ VdW HA ALA 63 - C GLU 413 2.50 8 0.15 0.40 *+ + + + + + + VdW HA ALA 63 - O GLU 413 2.30 12 0.32 0.73 +++ +++ ++* + ++ VdW CB ALA 63 - O GLU 413 2.90 17 0.46 0.65 ++++++++*++ + + ++++ VdW CB ALA 63 - CB ALA 417 3.20 10 0.24 0.54 ++ ++ + ++ + +* VdW N GLN 64 - HG2 GLN 64 2.45 20 0.33 0.42 ++*+++++++++++++++++ VdW H GLN 64 - CG GLN 64 2.55 19 0.31 0.41 ++++++++++++++* ++++ VdW H GLN 64 - HG2 GLN 64 1.95 19 0.43 0.68 ++*++++++++++++++++ VdW O GLN 64 - N LEU 68 2.75 6 0.20 0.56 ++ * + ++ VdW O GLN 64 - CB LEU 68 2.90 8 0.24 0.69 *+ + ++ + ++ VdW O GLN 64 - HB2 LEU 68 2.30 14 0.25 0.51 + ++++++ + ++++ *+ VdW O GLN 64 - HB3 LEU 68 2.30 6 0.15 0.62 ++ + *+ + VdW N LEU 65 - CD1 LEU 65 3.05 9 0.19 0.64 + +++ + +*+ + VdW CA LEU 65 - CD1 LEU 65 3.00 8 0.10 0.26 + +++ ++* + VdW HB3 LEU 65 - HA VAL 88 2.00 8 0.17 0.49 + + * +++++ VdW HG LEU 65 - HG3 GLN 91 2.00 6 0.12 0.55 + ++* + + VdW CD2 LEU 65 - HG3 GLN 91 2.60 9 0.18 0.52 ++ + ++ *+ + + VdW CD2 LEU 65 - HA PHE 92 2.60 9 0.17 0.67 + +++ * +++ + VdW O LEU 65 - CB CYS 69 2.90 6 0.18 0.51 + *+ ++ + VdW O LEU 65 - HB3 CYS 69 2.30 8 0.19 0.57 + + *+ +++ + VdW O LEU 65 - SG CYS 69 3.10 15 0.36 0.97 +* +++ +++ ++ +++++ VdW HA ARG 66 - SG CYS 69 2.80 8 0.18 0.60 ++ *++ + + + VdW CG GLU 67 - C GLU 67 2.90 10 0.19 0.24 ++ + +*+ + ++ + VdW CG GLU 67 - N LEU 68 3.05 15 0.25 0.36 *++ +++++++ +++++ VdW HG3 GLU 67 - C GLU 67 2.50 8 0.16 0.44 + + ++++ + * VdW CA LEU 68 - CD1 LEU 68 3.00 7 0.10 0.26 * ++ + + ++ VdW HA LEU 68 - CD1 LEU 68 2.60 7 0.15 0.46 + *+ + + ++ VdW HA CYS 69 - CE3 TRP 72 2.60 9 0.19 0.62 + + + + * + ++ + VdW HA CYS 69 - HE3 TRP 72 2.00 19 0.36 0.48 +++++++++++ +*++++++ VdW CB CYS 69 - CD2 LEU 87 3.20 12 0.23 0.42 +++*+ +++ ++ ++ VdW CB CYS 69 - HD22 LEU 87 2.60 6 0.13 0.58 + +++ + * VdW HB2 CYS 69 - CD1 LEU 73 2.60 10 0.22 0.51 + +++ + + +++ * VdW HB2 CYS 69 - CG LEU 87 2.60 6 0.12 0.32 +* ++ + + VdW HB2 CYS 69 - HG LEU 87 2.00 8 0.16 0.41 + + + + + + *+ VdW HB3 CYS 69 - CD2 LEU 87 2.60 7 0.19 0.71 ++ ++ * + + VdW HB3 CYS 69 - HD22 LEU 87 2.00 6 0.13 0.44 + + + + + * VdW SG CYS 69 - N ARG 70 3.25 18 0.30 0.41 +++++ +++++ ++*+++++ VdW SG CYS 69 - CB LEU 84 3.40 6 0.13 0.30 + + + + +* VdW SG CYS 69 - HB3 LEU 84 2.80 8 0.14 0.45 * ++ + ++ ++ VdW SG CYS 69 - CG LEU 84 3.40 12 0.27 0.54 ++ ++* +++ ++ + + VdW SG CYS 69 - HG LEU 84 2.80 12 0.36 0.81 ++ ++* +++ ++ + + VdW O CYS 69 - N TRP 72 2.75 10 0.16 0.42 ++ ++ +++ *+ + VdW O CYS 69 - N LEU 73 2.75 18 0.35 0.74 + ++++++++*+++ +++++ VdW O CYS 69 - H LEU 73 1.80 15 0.32 0.61 +++ ++ +*+++ +++++ VdW C ARG 70 - H TRP 72 2.45 8 0.13 0.36 + + +++ + * + VdW H GLN 71 - CG GLN 71 2.55 11 0.22 0.41 + * + + + ++ ++++ VdW CG TRP 72 - C TRP 72 2.90 20 0.24 0.25 ++++++++++*+++++++++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.36 0.55 ++++++++++++++*+++++ VdW CD1 TRP 72 - O TRP 72 2.90 10 0.25 0.79 + + +*++ + +++ VdW HD1 TRP 72 - O TRP 72 2.30 12 0.21 0.70 + + +* + ++ ++++ + VdW CZ3 TRP 72 - CG LEU 87 3.20 11 0.19 0.40 + *++ + + +++ + + VdW CZ3 TRP 72 - HG LEU 87 2.60 16 0.40 0.63 + +++ ++++ *++ +++++ VdW CH2 TRP 72 - CB LEU 87 3.20 18 0.34 0.44 + ++++*+++ +++++++++ VdW HH2 TRP 72 - CB LEU 87 2.60 20 0.40 0.57 ++++++++*+++++++++++ VdW HH2 TRP 72 - HB2 LEU 87 2.00 10 0.19 0.58 +* + + +++++ + VdW HH2 TRP 72 - HB3 LEU 87 2.00 11 0.18 0.34 + + ++++ +++*+ VdW CD1 LEU 73 - CD1 LEU 87 3.20 6 0.13 0.44 +* + + ++ VdW HA ARG 74 - CD PRO 75 2.60 15 0.24 0.31 ++++++++ + ++++* + VdW C ARG 74 - H GLU 76 2.45 20 0.35 0.38 +++++*++++++++++++++ VdW C ARG 74 - HE1 MET 83 2.50 6 0.08 0.33 + +* ++ + VdW HA PRO 75 - CE MET 83 2.60 7 0.17 0.50 + + ++ + * + VdW CB ARG 78 - H SER 79 2.55 14 0.24 0.33 + + ++ +++ *++++ ++ VdW O SER 79 - HB2 MET 83 2.30 11 0.18 0.34 ++*+ + + + ++++ VdW O LYS 80 - HB2 LEU 84 2.30 6 0.12 0.34 +* ++ + + VdW O GLU 81 - CG GLU 85 2.90 18 0.31 0.42 + +++++++++*+++++ ++ VdW O GLU 81 - HG2 GLU 85 2.30 16 0.28 0.49 ++++++++*+++ ++++ VdW CB MET 83 - CE MET 83 3.00 19 0.24 0.25 + +*++++++++++++++++ VdW HB2 MET 83 - CE MET 83 2.60 7 0.15 0.29 + ++ ++ * + VdW O MET 83 - HB3 LEU 86 2.30 7 0.15 0.42 + + + +*++ VdW O MET 83 - CG LEU 86 2.90 7 0.13 0.49 +*+ + + + + VdW O MET 83 - HG LEU 86 2.30 7 0.19 0.76 +*+ + + + + VdW O MET 83 - CD2 LEU 86 2.90 8 0.20 0.60 + + + ++* + + VdW O MET 83 - HD21 LEU 86 2.30 7 0.15 0.52 + + + +*+ + VdW O MET 83 - CD1 LEU 87 2.90 10 0.18 0.53 + ++ +*+ + + ++ VdW N LEU 84 - CD1 LEU 84 3.05 10 0.19 0.39 + +++ +*+ ++ + VdW N LEU 84 - CD2 LEU 84 3.05 7 0.11 0.35 + + + *+ ++ VdW H LEU 84 - CD1 LEU 84 2.55 6 0.12 0.29 * ++ ++ + VdW CA LEU 84 - CD1 LEU 87 3.20 16 0.22 0.40 + +++ ++++ +++ +*+++ VdW HA LEU 84 - CD1 LEU 87 2.60 16 0.37 0.61 + +++ ++++ +++ +*+++ VdW HA LEU 84 - HD11 LEU 87 2.00 6 0.18 0.73 + + + + *+ VdW HA LEU 84 - HD13 LEU 87 2.00 8 0.21 0.71 + ++ ++* + + VdW C LEU 84 - N LEU 86 2.95 8 0.12 0.27 ++ + * ++++ VdW C LEU 84 - H LEU 86 2.45 10 0.16 0.38 +++ ++ + *+++ VdW C LEU 84 - CG1 VAL 88 3.10 10 0.24 0.58 ++* ++ + ++++ VdW C LEU 84 - HG11 VAL 88 2.50 6 0.09 0.28 + * + + + + VdW O LEU 84 - CD1 LEU 87 2.90 10 0.24 0.67 +++ ++ + *+++ VdW O LEU 84 - HD11 LEU 87 2.30 8 0.21 0.66 * ++ +++ + + VdW O LEU 84 - HD12 LEU 87 2.30 6 0.19 0.97 + * + + ++ VdW O LEU 84 - CG1 VAL 88 2.90 13 0.37 0.78 ++++*++ + + ++++ VdW O LEU 84 - HG11 VAL 88 2.30 9 0.20 0.63 ++++ * + ++ + VdW O LEU 84 - HG12 VAL 88 2.30 7 0.21 0.68 +* ++ +++ VdW CD1 LEU 86 - C LEU 86 3.10 7 0.15 0.49 +++ + + * + VdW CD2 LEU 86 - C LEU 86 3.10 9 0.19 0.49 + + * + + + +++ VdW CD2 LEU 86 - N LEU 87 3.05 11 0.20 0.43 + + * ++++ + +++ VdW HD21 LEU 86 - N LEU 87 2.45 7 0.11 0.38 + + * +++ + VdW N LEU 87 - CD1 LEU 87 3.05 8 0.18 0.41 + +++ + * + + VdW H LEU 87 - CD1 LEU 87 2.55 15 0.29 0.55 + *++ + ++ +++ +++++ VdW H LEU 87 - HD11 LEU 87 1.95 8 0.22 0.64 * ++ +++ + + VdW H LEU 87 - HD12 LEU 87 1.95 6 0.19 0.86 * + + + ++ VdW CD2 LEU 87 - C LEU 87 3.10 15 0.30 0.50 + +++ ++ + +*+ +++++ VdW CD2 LEU 87 - N VAL 88 3.05 16 0.58 0.85 + +++ ++++ +++ +++*+ VdW CD2 LEU 87 - H VAL 88 2.55 15 0.30 0.63 + +++ ++++ ++ +++*+ VdW HD21 LEU 87 - N VAL 88 2.45 8 0.21 0.89 + + *+ + + + + VdW HD22 LEU 87 - C LEU 87 2.50 6 0.20 0.75 + * ++++ VdW HD22 LEU 87 - N VAL 88 2.45 8 0.28 0.93 + + ++ ++*+ VdW HD23 LEU 87 - C LEU 87 2.50 6 0.17 0.69 + ++* + + VdW HD23 LEU 87 - N VAL 88 2.45 10 0.29 0.87 + +*+ ++ + +++ VdW N VAL 88 - CG1 VAL 88 2.85 10 0.13 0.24 ++++* + ++++ VdW H VAL 88 - CG1 VAL 88 2.55 12 0.24 0.45 +++++* + + ++++ VdW CG2 VAL 88 - C VAL 88 2.90 11 0.18 0.33 +++++* + ++++ VdW CG2 VAL 88 - HB3 PRO 112 2.60 11 0.24 0.52 +++ *+ + + ++++ VdW O VAL 88 - N PHE 92 2.75 14 0.25 0.45 ++ ++++ ++*++ + ++ VdW O VAL 88 - CB PHE 92 2.90 7 0.18 0.33 + + + + + + * VdW CB LEU 89 - HA SER 111 2.60 7 0.15 0.32 + + + +* + + VdW HB2 LEU 89 - CA SER 111 2.60 10 0.19 0.39 +++ +* ++ ++ + VdW HB2 LEU 89 - HA SER 111 2.00 15 0.37 0.65 +++ +++ +*++ +++++ VdW HB2 LEU 89 - HD3 PRO 112 2.00 11 0.21 0.46 +++++ * + + ++ + VdW HG LEU 89 - C GLY 110 2.50 10 0.21 0.58 ++ ++ + *+ ++ + VdW HG LEU 89 - N SER 111 2.45 10 0.19 0.50 +* ++ + ++ ++ + VdW CD1 LEU 89 - C LEU 89 3.10 6 0.13 0.26 +* ++ + + VdW CD1 LEU 89 - N GLU 90 3.05 11 0.15 0.36 ++ +* + + ++ ++ + VdW CD1 LEU 89 - N SER 111 3.05 7 0.11 0.37 + * ++ + ++ VdW CD2 LEU 89 - C GLY 110 3.10 6 0.11 0.34 + + ++ * + VdW CD GLN 91 - C GLN 91 3.00 9 0.17 0.36 + + +* +++++ VdW CD GLN 91 - O GLN 91 2.80 9 0.17 0.36 + + +*+ ++++ VdW NE2 GLN 91 - O GLN 91 2.75 18 0.31 0.50 +*+++++++++ +++ ++++ VdW O GLN 91 - C PHE 92 2.80 10 0.21 0.30 * + +++ +++ + + VdW O GLN 91 - N GLY 94 2.75 18 0.27 0.40 +++++ ++++++++*++++ VdW O GLN 91 - H GLY 94 1.80 12 0.23 0.39 + ++ +++ ++ *++ + VdW CG PHE 92 - OE1 GLN 359 2.90 6 0.12 0.34 +* + + ++ VdW CD1 PHE 92 - C PHE 92 3.10 12 0.43 0.82 ++ ++++ + + + *+ + VdW CD1 PHE 92 - O PHE 92 2.90 12 0.20 0.41 ++ ++++ + + + +* + VdW CD1 PHE 92 - N LEU 93 3.05 9 0.17 0.43 + ++++ + + + * VdW CD1 PHE 92 - OE1 GLN 359 2.90 7 0.17 0.40 ++ + + * + + VdW HD1 PHE 92 - C PHE 92 2.50 12 0.56 1.08 ++ ++++ + + + *+ + VdW HD1 PHE 92 - O PHE 92 2.30 12 0.29 0.65 *+ ++++ + + + ++ + VdW HD1 PHE 92 - N LEU 93 2.45 12 0.38 0.77 ++ ++++ + + + *+ + VdW HD1 PHE 92 - CA LEU 93 2.60 8 0.14 0.34 + ++++ + * + VdW CE1 PHE 92 - CA ALA 116 3.20 6 0.11 0.47 *+ ++ + + VdW CE1 PHE 92 - CB ALA 116 3.20 6 0.14 0.53 ++ *+ + + VdW CE1 PHE 92 - CG GLN 359 3.20 6 0.21 0.84 +* ++ + + VdW CE1 PHE 92 - OE1 GLN 359 2.90 6 0.12 0.45 + + + +* + VdW HE1 PHE 92 - CB ALA 116 2.60 6 0.20 0.80 *+ ++ + + VdW CZ PHE 92 - CA ALA 116 3.20 18 0.40 0.62 +++++++++++ ++* ++++ VdW CZ PHE 92 - HA ALA 116 2.60 18 0.65 1.02 +++++++*+++ +++ ++++ VdW CZ PHE 92 - CB GLN 359 3.20 15 0.27 0.66 ++ ++++ +++ +++ ++* VdW CZ PHE 92 - HB3 GLN 359 2.60 17 0.39 0.77 +++++++++++ +++ ++* VdW CZ PHE 92 - CG GLN 359 3.20 11 0.25 0.77 ++ + ++ + ++* + + VdW CZ PHE 92 - HG2 GLN 359 2.60 6 0.16 1.05 + + + + * + VdW HZ PHE 92 - CA ALA 116 2.60 16 0.30 0.54 +++++++++ ++* ++++ VdW HZ PHE 92 - HA ALA 116 2.00 18 0.67 0.91 +++++++++++ *++ ++++ VdW HZ PHE 92 - HB3 GLN 359 2.00 13 0.27 0.59 ++ ++ + +++ +++ +* VdW CE2 PHE 92 - CA ALA 116 3.20 11 0.25 0.58 ++ +++* + + + ++ VdW CE2 PHE 92 - HA ALA 116 2.60 11 0.20 0.66 ++ +++* + + +++ VdW CE2 PHE 92 - CB ALA 116 3.20 12 0.25 0.54 ++ ++++ + + * ++ + VdW CE2 PHE 92 - CB GLN 359 3.20 7 0.14 0.49 + ++++ + * VdW CE2 PHE 92 - CG GLN 359 3.20 12 0.45 0.98 ++ ++++ + + * ++ + VdW CE2 PHE 92 - HG2 GLN 359 2.60 11 0.60 1.44 ++ ++++ + + * ++ VdW HE2 PHE 92 - CA ALA 116 2.60 9 0.20 0.52 *+ ++++ + ++ VdW HE2 PHE 92 - CB ALA 116 2.60 12 0.45 0.89 *+ ++++ + + + ++ + VdW HE2 PHE 92 - HB1 ALA 116 2.00 8 0.12 0.47 ++ ++* + + + VdW HE2 PHE 92 - HB2 ALA 116 2.00 6 0.13 0.46 ++ + * ++ VdW HE2 PHE 92 - HB3 ALA 116 2.00 8 0.14 0.44 ++ +* + + + + VdW HE2 PHE 92 - CG GLN 359 2.60 9 0.12 0.47 + +++* + + ++ VdW HE2 PHE 92 - HG2 GLN 359 2.00 11 0.30 0.84 ++ +++* + + + ++ VdW CD2 PHE 92 - C PHE 92 3.10 7 0.22 0.73 ++ ++ * + + VdW CD2 PHE 92 - O PHE 92 2.90 6 0.10 0.45 ++ *+ + + VdW CD2 PHE 92 - CG GLN 359 3.20 10 0.13 0.33 ++ +*++ + + ++ VdW CD2 PHE 92 - HG2 GLN 359 2.60 11 0.29 0.61 ++ +*++ + + + ++ VdW HD2 PHE 92 - C PHE 92 2.50 7 0.27 0.98 ++ *+ + + + VdW HD2 PHE 92 - O PHE 92 2.30 6 0.13 0.78 ++ *+ + + VdW HD2 PHE 92 - N LEU 93 2.45 6 0.18 0.71 ++ ++ * + VdW O PHE 92 - N ALA 95 2.75 16 0.28 0.43 ++++++++*++ + + +++ VdW O PHE 92 - H ALA 95 1.80 16 0.27 0.45 ++++++++*++ + + +++ VdW O LEU 93 - CD GLN 101 2.80 6 0.17 0.80 +* + + + + VdW O LEU 93 - NE2 GLN 101 2.75 12 0.32 0.82 + + +* + ++ +++++ VdW CA GLY 94 - NE2 GLN 101 3.05 9 0.13 0.23 ++* ++ + + ++ VdW HA2 GLY 94 - NE2 GLN 101 2.45 12 0.17 0.30 +++* ++ ++ ++ ++ VdW C GLY 94 - NE2 GLN 101 2.95 13 0.21 0.39 +++++ ++*+ + +++ VdW N LEU 96 - HG LEU 96 2.45 6 0.10 0.27 + + + + * + VdW N LEU 96 - CD1 LEU 96 3.05 8 0.12 0.38 + + ++* ++ + VdW H LEU 96 - CG LEU 96 2.55 7 0.18 0.30 + + * + ++ + VdW H LEU 96 - HG LEU 96 1.95 6 0.10 0.40 + + +* + + VdW H LEU 96 - CD2 LEU 96 2.55 10 0.25 0.65 + +* +++ ++ + + VdW CB LEU 96 - HB ILE 100 2.60 10 0.22 0.55 + +* +++ ++ + + VdW CG LEU 96 - CG1 VAL 119 3.20 8 0.12 0.35 + ++ * + ++ + VdW HG LEU 96 - CB VAL 119 2.60 6 0.14 0.51 ++ +* ++ VdW HG LEU 96 - CG1 VAL 119 2.60 10 0.21 0.53 + ++ *++ ++ + + VdW CD1 LEU 96 - CG1 VAL 119 3.20 8 0.14 0.41 + + ++ + * + + VdW O LEU 96 - CG GLN 101 2.90 10 0.18 0.36 + + + +++ *+ + + VdW O LEU 96 - CD GLN 101 2.80 15 0.25 0.43 +++++ ++++++*+ ++ VdW O LEU 96 - NE2 GLN 101 2.75 19 0.64 0.82 *++++ ++++++++++++++ VdW CD PRO 97 - HG13 ILE 100 2.60 16 0.26 0.44 +++++++++++ +*+ ++ VdW CB PRO 97 - CD PRO 98 3.20 19 0.26 0.37 ++++++++++++++*++++ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.36 0.47 +++++++++++++++*++++ VdW HB2 PRO 97 - CD PRO 98 2.60 19 0.29 0.47 ++++++++++++++*++++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.50 0.71 +++++++++++++++*++++ VdW HG2 PRO 97 - CG GLU 99 2.60 10 0.19 0.32 ++++ +++ *+ + VdW HD2 PRO 97 - CG1 ILE 100 2.60 9 0.19 0.43 + +* +++ ++ + VdW HD2 PRO 97 - HG13 ILE 100 2.00 16 0.43 0.75 +*+++++++++ +++ ++ VdW O PRO 97 - CG GLN 101 2.90 8 0.18 0.40 + ++++ * + + VdW O PRO 97 - HG3 GLN 101 2.30 13 0.38 0.83 ++++ ++ ++*++ ++ VdW N ILE 100 - HG12 ILE 100 2.45 8 0.14 0.31 +++ + + + +* VdW CG2 ILE 100 - CD1 ILE 100 3.00 14 0.21 0.32 ++*++++++ + ++ ++ VdW CD1 ILE 100 - O ALA 355 2.90 16 0.33 0.63 +++++++ ++ ++* ++++ VdW HD12 ILE 100 - O ALA 355 2.30 6 0.11 0.34 +++ ++ * VdW HA GLN 101 - CG1 VAL 104 2.60 16 0.26 0.38 *+++++ +++++++ +++ VdW N VAL 104 - CG1 VAL 104 2.85 9 0.17 0.22 + +* + + +++ + VdW N VAL 104 - CD2 LEU 122 3.05 10 0.18 0.43 + + ++ +++ + + * VdW H VAL 104 - CG1 VAL 104 2.55 17 0.31 0.39 ++++++* +++ + ++++++ VdW HA VAL 104 - HB2 GLN 107 2.00 8 0.13 0.29 *+ +++ ++ + VdW CG2 VAL 104 - C VAL 104 2.90 17 0.25 0.30 +++*+++ +++ + ++++++ VdW CG2 VAL 104 - CD1 LEU 118 3.20 6 0.15 0.31 +++ ++ * VdW O VAL 104 - HB2 GLN 107 2.30 6 0.09 0.29 + + + ++* VdW CB GLN 107 - HE21 GLN 107 2.55 8 0.16 0.33 + + + ++ +*+ VdW HB3 GLN 107 - NE2 GLN 107 2.45 6 0.10 0.25 + + ++ +* VdW HB3 GLN 107 - HE21 GLN 107 1.95 11 0.18 0.43 ++ + +++ ++ +* + VdW HG2 PRO 109 - H GLY 110 1.95 8 0.16 0.28 + +++ + * + + VdW O PRO 112 - HB1 ALA 116 2.30 7 0.13 0.45 ++ +* + + + VdW HA GLU 113 - HB3 LEU 362 2.00 6 0.18 0.74 + + +* + + VdW C GLU 113 - HA ALA 363 2.50 8 0.13 0.30 + * + ++ + ++ VdW O GLU 113 - CA ALA 363 2.90 17 0.43 0.65 ++*++++++++ ++ ++++ VdW O GLU 113 - HA ALA 363 2.30 11 0.31 0.79 +++ +++ +* + ++ VdW O GLU 113 - CB ALA 363 2.90 18 0.46 0.71 ++++++++*++ +++ ++++ VdW N GLU 114 - HG2 GLU 114 2.45 7 0.14 0.24 + + * + + ++ VdW O GLU 114 - CD2 LEU 118 2.90 15 0.30 0.63 + +* ++ ++ ++++++++ VdW HA ALA 115 - CG LEU 118 2.60 11 0.23 0.42 +* +++ ++ ++++ VdW HA ALA 115 - CD1 LEU 118 2.60 13 0.22 0.54 +++*+ +++++ ++ + VdW C ALA 115 - H ALA 117 2.45 9 0.14 0.32 +++ *+ ++ ++ VdW CB ALA 116 - C GLN 359 3.10 7 0.20 0.54 + ++ *+ + + VdW CB ALA 116 - O GLN 359 2.90 18 0.46 0.67 +++++++++++ +*+ ++++ VdW HB1 ALA 116 - O GLN 359 2.30 6 0.16 0.57 + +* + + + VdW HB2 ALA 116 - O GLN 359 2.30 6 0.16 0.74 ++ + + + * VdW HB3 ALA 116 - O GLN 359 2.30 8 0.15 0.48 +++ ++ + * + VdW C ALA 116 - HA GLU 360 2.50 16 0.28 0.61 + ++++++++ ++* ++++ VdW O ALA 116 - C GLN 359 2.80 7 0.13 0.34 + +++ + *+ VdW O ALA 116 - O GLN 359 2.60 10 0.27 0.69 +++ +++ ++ +* VdW O ALA 116 - N GLU 360 2.75 7 0.13 0.50 + ++ + + *+ VdW O ALA 116 - CA GLU 360 2.90 16 0.57 1.01 +++++++++++ + *+++ VdW O ALA 116 - HA GLU 360 2.30 17 0.58 1.24 +++++++++++ + + *+++ VdW O ALA 116 - C GLU 360 2.80 10 0.36 0.85 +++ +++ +* ++ VdW O ALA 116 - O GLU 360 2.60 7 0.11 0.39 ++ ++ * ++ VdW HA ALA 117 - CD GLU 360 2.50 7 0.14 0.54 + + ++ * + + VdW CB ALA 117 - CB ALA 363 3.20 11 0.25 0.54 + ++++ ++ +++* VdW CB ALA 117 - HB1 ALA 363 2.60 6 0.09 0.29 + * ++ ++ VdW HB2 ALA 117 - CB ALA 363 2.60 6 0.10 0.36 + ++ ++ * VdW O ALA 117 - OE1 GLU 360 2.60 6 0.13 0.65 + ++ + +* VdW N LEU 118 - HG LEU 118 2.45 10 0.15 0.28 +++++ + + + *+ VdW H LEU 118 - HG LEU 118 1.95 11 0.19 0.34 ++++* + ++ +++ VdW CG2 VAL 119 - N ASP 120 3.05 6 0.14 0.35 + + +++ * VdW CA ASP 120 - OG1 THR 356 2.90 13 0.28 0.57 ++ ++++ ++ + + ++* VdW CB ASP 120 - OG1 THR 356 2.90 16 0.36 0.68 ++ ++++++++ + + *+++ VdW CB ASP 120 - CG GLU 360 3.20 10 0.22 0.66 +*+ ++ ++ + + + VdW CB ASP 120 - HG2 GLU 360 2.60 6 0.11 0.47 * + ++ + + VdW CB ASP 120 - CD GLU 360 3.10 13 0.38 0.69 +++ +++ ++ * ++++ VdW HB2 ASP 120 - OG1 THR 356 2.30 16 0.45 1.03 ++ ++++++++ + + *+++ VdW HB2 ASP 120 - HB2 GLU 360 2.00 6 0.11 0.43 + ++* ++ VdW HB2 ASP 120 - CG GLU 360 2.60 8 0.17 0.53 +*+ +++ + + VdW HB2 ASP 120 - CD GLU 360 2.50 6 0.11 0.44 ++ ++ + * VdW HB3 ASP 120 - CD GLU 360 2.50 12 0.37 0.76 ++ +++ ++ * ++++ VdW HB3 ASP 120 - OE2 GLU 360 2.30 10 0.23 0.56 +*++ ++ + +++ VdW O LEU 122 - C ARG 123 2.80 9 0.18 0.48 + + +*++ ++ + VdW HD2 ARG 123 - HH11 ARG 123 1.95 6 0.09 0.30 + * + + ++ VdW HA2 GLY 339 - CD PRO 340 2.60 19 0.23 0.27 +++++*++++ +++++++++ VdW CB ALA 343 - HB2 TRP 372 2.60 16 0.27 0.39 + ++ ++++ +++*+ ++++ VdW O ARG 344 - CB ARG 348 2.90 10 0.23 0.45 + * ++ ++ ++ + + VdW O ARG 344 - HB2 ARG 348 2.30 6 0.15 0.39 + +++ * + VdW HB2 PHE 347 - CB LEU 368 2.60 8 0.22 0.51 + + ++++* + VdW CG PHE 347 - C PHE 347 2.90 20 0.25 0.25 +++++++++++++*++++++ VdW CD1 PHE 347 - N ARG 348 3.05 7 0.12 0.38 ++ + + * + + VdW CD1 PHE 347 - HA LEU 365 2.60 6 0.11 0.38 + + + + + * VdW HD1 PHE 347 - HA LEU 365 2.00 10 0.24 0.64 + ++++ + * + ++ VdW CE1 PHE 347 - HZ3 TRP 372 2.60 6 0.11 0.36 *+ + + + + VdW CE1 PHE 347 - CD2 LEU 387 3.20 7 0.15 0.53 + + *++ + + VdW HE1 PHE 347 - HB3 LEU 365 2.00 10 0.16 0.42 + +++ +++ + *+ VdW CZ PHE 347 - CD2 LEU 387 3.20 11 0.23 0.45 ++ +*+ +++ + ++ VdW CZ PHE 347 - HD23 LEU 387 2.60 6 0.09 0.32 + ++ + + * VdW CZ PHE 347 - CB GLN 391 3.20 16 0.31 0.41 ++ + +++ +++++*++++ VdW CZ PHE 347 - HB2 GLN 391 2.60 14 0.27 0.45 + ++ + + +*+++++ ++ VdW HZ PHE 347 - O LEU 387 2.30 7 0.14 0.34 + + + ++ +* VdW CE2 PHE 347 - HZ3 TRP 372 2.60 8 0.14 0.34 + + + ++ + *+ VdW CE2 PHE 347 - CD2 LEU 387 3.20 6 0.11 0.56 + ++ + * + VdW HE2 PHE 347 - HB3 LEU 365 2.00 8 0.14 0.46 + +++ + *+ + VdW CD2 PHE 347 - C PHE 347 3.10 6 0.11 0.33 + ++* + + VdW CD2 PHE 347 - N ARG 348 3.05 7 0.14 0.40 + ++++ +* VdW HD2 PHE 347 - HA LEU 365 2.00 9 0.25 0.75 ++ +++ * ++ + VdW O PHE 347 - CG GLN 391 2.90 7 0.18 0.45 + ++ + + * + VdW HA ARG 348 - CG GLN 391 2.60 11 0.21 0.46 ++ + +* + + +++ + VdW HA ARG 348 - HG2 GLN 391 2.00 11 0.27 0.58 + *+ + +++ + + + + VdW HB3 PHE 350 - NE2 GLN 391 2.45 13 0.25 0.42 ++ ++ + ++ ++ +*++ VdW CD1 PHE 350 - CB ALA 361 3.20 7 0.13 0.46 * + + + + ++ VdW CE1 PHE 350 - CA ALA 361 3.20 6 0.14 0.52 + + * + ++ VdW CE1 PHE 350 - HA ALA 361 2.60 6 0.12 0.51 + + ++ *+ VdW CE1 PHE 350 - CB ALA 361 3.20 7 0.16 0.61 + + * + + ++ VdW CE1 PHE 350 - CG GLN 364 3.20 6 0.13 0.55 + ++ *+ + VdW CE1 PHE 350 - HG3 GLN 364 2.60 9 0.19 0.78 + ++ ++ *++ + VdW CE1 PHE 350 - CD GLN 364 3.10 8 0.15 0.39 + +++* + + + VdW CZ PHE 350 - CG GLU 360 3.20 6 0.12 0.38 ++++ * + VdW CZ PHE 350 - HG3 GLU 360 2.60 12 0.23 0.61 ++ +++* ++ + +++ VdW CZ PHE 350 - CD GLU 360 3.10 8 0.14 0.56 + *++++ + + VdW CZ PHE 350 - C GLU 360 3.10 8 0.13 0.44 ++ + ++ * + + VdW CZ PHE 350 - HG3 GLN 364 2.60 9 0.19 0.69 + ++++ + * ++ VdW HZ PHE 350 - CB GLU 360 2.60 9 0.19 0.58 ++ ++++ + * + VdW HZ PHE 350 - HB3 GLU 360 2.00 6 0.11 0.46 + ++ + * + VdW HZ PHE 350 - CG GLU 360 2.60 14 0.33 0.55 ++*+++++ + + ++++ VdW HZ PHE 350 - HG3 GLU 360 2.00 7 0.18 0.54 + +* + +++ VdW HZ PHE 350 - CD GLU 360 2.50 8 0.28 0.77 + + +*+ + ++ VdW CE2 PHE 350 - HG3 GLU 360 2.60 7 0.12 0.46 + +++* + + VdW CE2 PHE 350 - CA ALA 361 3.20 11 0.24 0.54 ++ ++++ ++ ++ * VdW CE2 PHE 350 - HA ALA 361 2.60 9 0.22 0.60 + +++*++ + + VdW CE2 PHE 350 - CB ALA 361 3.20 10 0.24 0.64 ++ ++++ * ++ + VdW HE2 PHE 350 - CB ALA 361 2.60 7 0.11 0.42 ++ ++ + * + VdW CD2 PHE 350 - CB ALA 361 3.20 9 0.18 0.52 ++ ++++ + + * VdW HA HIS 351 - O GLY 394 2.30 13 0.24 0.49 ++ +++ + + *+ ++++ VdW CG HIS 351 - O HIS 351 2.90 9 0.18 0.49 + +*++ + + + + VdW N TYR 352 - O ALA 395 2.75 19 0.45 0.66 +++*+++++++ ++++++++ VdW H TYR 352 - C ALA 395 2.45 11 0.20 0.34 +++*++ + ++ ++ VdW H TYR 352 - O ALA 395 1.80 15 0.24 0.51 +++*++ +++ ++++ ++ VdW CA TYR 352 - O ALA 395 2.90 10 0.18 0.34 *++++++ ++ + VdW CB TYR 352 - O GLY 357 2.90 18 0.64 0.81 +++++++++++ +++ +*++ VdW CB TYR 352 - O ALA 395 2.90 13 0.22 0.44 *+ ++++++ +++ + + VdW HB2 TYR 352 - O GLY 357 2.30 18 0.52 0.83 +++++++++++ ++* ++++ VdW CG TYR 352 - C TYR 352 2.90 18 0.20 0.24 +++++++++++ *++ ++++ VdW CG TYR 352 - O TYR 352 2.90 6 0.13 0.24 + + +* + + VdW CG TYR 352 - C GLY 357 3.10 18 0.63 0.77 +++++++++++ +++ +*++ VdW CG TYR 352 - O GLY 357 2.90 18 0.82 1.10 +++++*+++++ +++ ++++ VdW CG TYR 352 - O ALA 395 2.90 9 0.24 0.53 ++ ++++ +* + VdW CD1 TYR 352 - C TYR 352 3.10 9 0.22 0.55 + * +++ ++ ++ VdW CD1 TYR 352 - N GLY 357 3.05 8 0.19 0.68 + + *++ + ++ VdW CD1 TYR 352 - H GLY 357 2.55 8 0.16 0.54 + * +++ + ++ VdW CD1 TYR 352 - CA GLY 357 3.20 8 0.20 0.67 + + +++ * ++ VdW CD1 TYR 352 - C GLY 357 3.10 18 0.47 0.77 ++++++*++++ +++ ++++ VdW CD1 TYR 352 - O GLY 357 2.90 14 0.32 0.73 ++++++*+++ + +++ VdW CD1 TYR 352 - N PRO 358 3.05 10 0.22 0.50 ++ +* + + ++ + + VdW CD1 TYR 352 - CA PRO 358 3.20 10 0.22 0.53 ++ +* + + ++ + + VdW CD1 TYR 352 - HA PRO 358 2.60 9 0.23 0.59 ++ +* + + + + + VdW CD1 TYR 352 - C ALA 395 3.10 10 0.23 0.58 *+ ++ + + ++ + + VdW CD1 TYR 352 - O ALA 395 2.90 9 0.17 0.49 *+ ++ + + + ++ VdW CD1 TYR 352 - HA LEU 396 2.60 9 0.13 0.29 ++ +* + + ++ + VdW HD1 TYR 352 - O GLU 353 2.30 8 0.12 0.37 + + *++ + ++ VdW HD1 TYR 352 - HA PRO 358 2.00 10 0.24 0.70 ++ ++ * + ++ + + VdW HD1 TYR 352 - CB ALA 395 2.60 6 0.13 0.43 ++ ++ * + VdW HD1 TYR 352 - C ALA 395 2.50 10 0.24 0.59 ++ ++ + + ++ * + VdW HD1 TYR 352 - N LEU 396 2.45 8 0.12 0.39 ++ ++ + + * + VdW CE1 TYR 352 - N GLY 357 3.05 7 0.11 0.43 + + *++ ++ VdW CE1 TYR 352 - CA GLY 357 3.20 8 0.25 0.73 + + +*+ + ++ VdW CE1 TYR 352 - HA2 GLY 357 2.60 8 0.25 0.76 + + +++ * ++ VdW CE1 TYR 352 - C GLY 357 3.10 7 0.16 0.50 +++ + * + + VdW CE1 TYR 352 - N PRO 358 3.05 7 0.15 0.49 ++ ++ * + + VdW CE1 TYR 352 - CA LEU 396 3.20 6 0.13 0.45 ++ ++ * + VdW CE1 TYR 352 - HA LEU 396 2.60 11 0.27 0.63 ++ +* + + ++ ++ + VdW HE1 TYR 352 - CD2 LEU 396 2.60 6 0.11 0.49 ++ *+ + + VdW CZ TYR 352 - CA GLY 357 3.20 10 0.18 0.32 *++ +++ + +++ VdW CZ TYR 352 - HA2 GLY 357 2.60 17 0.39 0.54 +++++++++++ +* ++++ VdW CE2 TYR 352 - N GLY 357 3.05 9 0.14 0.36 *+ ++ + ++ + + VdW CE2 TYR 352 - H GLY 357 2.55 6 0.09 0.32 *+ ++ + + VdW CE2 TYR 352 - CA GLY 357 3.20 10 0.31 0.76 ++ ++ + + ++ * + VdW CE2 TYR 352 - HA2 GLY 357 2.60 10 0.34 0.86 ++ ++ + + ++ + * VdW CE2 TYR 352 - C GLY 357 3.10 6 0.16 0.50 + + + *+ + VdW CE2 TYR 352 - N PRO 358 3.05 6 0.14 0.51 * + ++ ++ VdW CE2 TYR 352 - CA LEU 396 3.20 6 0.13 0.47 + * ++ ++ VdW CE2 TYR 352 - HA LEU 396 2.60 8 0.22 0.65 + + +++ + *+ VdW HE2 TYR 352 - CD2 LEU 396 2.60 6 0.14 0.52 + + *++ + VdW CD2 TYR 352 - C TYR 352 3.10 10 0.25 0.57 ++ ++ * + ++ + + VdW CD2 TYR 352 - O TYR 352 2.90 7 0.12 0.44 + + + + * + + VdW CD2 TYR 352 - N GLY 357 3.05 10 0.23 0.66 ++ ++ + + +* + + VdW CD2 TYR 352 - H GLY 357 2.55 9 0.20 0.60 ++ ++ * + ++ + VdW CD2 TYR 352 - CA GLY 357 3.20 10 0.25 0.65 ++ ++ + + ++ + * VdW CD2 TYR 352 - C GLY 357 3.10 18 0.44 0.72 +++++*+++++ +++ ++++ VdW CD2 TYR 352 - O GLY 357 2.90 15 0.34 0.66 +++++*+ ++ + +++++ VdW CD2 TYR 352 - N PRO 358 3.05 8 0.19 0.53 + + +*+ + ++ VdW CD2 TYR 352 - CA PRO 358 3.20 8 0.21 0.67 + + +*+ + ++ VdW CD2 TYR 352 - HA PRO 358 2.60 8 0.22 0.73 + + +*+ + ++ VdW CD2 TYR 352 - C ALA 395 3.10 8 0.18 0.56 + * +++ + ++ VdW CD2 TYR 352 - O ALA 395 2.90 6 0.10 0.36 * ++ + ++ VdW CD2 TYR 352 - HA LEU 396 2.60 8 0.12 0.38 + + +++ * ++ VdW HD2 TYR 352 - O GLU 353 2.30 7 0.14 0.53 ++ + + + * + VdW HD2 TYR 352 - HA PRO 358 2.00 8 0.22 0.74 + * +++ + ++ VdW HD2 TYR 352 - CB ALA 395 2.60 6 0.10 0.44 * + ++ ++ VdW HD2 TYR 352 - C ALA 395 2.50 8 0.20 0.58 + + +*+ + ++ VdW HD2 TYR 352 - N LEU 396 2.45 7 0.12 0.37 * +++ + ++ VdW H GLU 353 - CG GLU 353 2.55 11 0.19 0.32 ++ +++ * + ++++ VdW C GLU 353 - N ALA 355 2.95 18 0.37 0.46 +++*+++ +++++++ ++++ VdW C GLU 353 - H ALA 355 2.45 17 0.52 0.71 *++++++ +++++ + ++++ VdW O GLU 353 - N ALA 355 2.75 18 0.49 0.66 +++++*+ +++++++ ++++ VdW O GLU 353 - N THR 356 2.75 18 0.33 0.51 +++++++*+++ +++ ++++ VdW O GLU 353 - H THR 356 1.80 10 0.24 0.50 + ++ *++ +++ + VdW CG2 THR 356 - N GLY 357 3.05 6 0.14 0.38 + +* ++ + VdW CA PRO 358 - CB ALA 395 3.20 6 0.15 0.29 + + *+ ++ VdW HA PRO 358 - CB ALA 395 2.60 18 0.41 0.71 +++++++++++ +*+ ++++ VdW HA PRO 358 - HB1 ALA 395 2.00 8 0.11 0.39 + + + +*+ + + VdW HA PRO 358 - HB2 ALA 395 2.00 7 0.16 0.50 + + ++ * ++ VdW HA PRO 358 - HB3 ALA 395 2.00 9 0.16 0.40 +++++ * + ++ VdW CB PRO 358 - CD1 LEU 396 3.20 6 0.12 0.51 + ++ +*+ VdW HB2 PRO 358 - CZ PHE 392 2.60 6 0.13 0.44 ++ ++ + * VdW HB3 PRO 358 - CD1 LEU 396 2.60 6 0.26 0.96 + ++ +*+ VdW HB3 PRO 358 - CD2 LEU 396 2.60 9 0.19 0.48 +++ ++ ++ + * VdW O PRO 358 - C GLN 359 2.80 16 0.24 0.43 ++++++ ++++++ * +++ VdW O PRO 358 - N ALA 361 2.75 6 0.17 0.34 + + +* ++ VdW O PRO 358 - H ALA 361 1.80 6 0.16 0.32 +++ +* + VdW C GLN 359 - N ALA 361 2.95 19 0.29 0.40 +++++++++++ +++*++++ VdW C GLN 359 - H ALA 361 2.45 16 0.29 0.50 + ++++++ ++ ++*++++ VdW O GLN 359 - C GLU 360 2.80 17 0.24 0.46 ++++++ ++ +* +++++++ VdW O GLN 359 - N ALA 361 2.75 20 0.41 0.56 +++++++++++++++*++++ VdW O GLN 359 - N LEU 362 2.75 8 0.19 0.59 ++ + +* +++ VdW CG GLU 360 - C GLU 360 2.90 6 0.09 0.24 + *++ ++ VdW HG3 GLU 360 - C GLU 360 2.50 6 0.09 0.39 + ++ * ++ VdW CD GLU 360 - NE2 GLN 364 2.95 7 0.16 0.49 + +++ * ++ VdW CD GLU 360 - HE21 GLN 364 2.45 10 0.21 0.63 + +++* + + + ++ VdW OE1 GLU 360 - NE2 GLN 364 2.75 9 0.20 0.93 ++ ++ ++ * ++ VdW OE2 GLU 360 - NE2 GLN 364 2.75 8 0.21 0.63 +*+ ++ ++ + VdW O GLU 360 - CG GLN 364 2.90 14 0.29 0.57 ++*+ + +++ ++ ++++ VdW O GLU 360 - HG3 GLN 364 2.30 8 0.13 0.31 ++ + + ++ + * VdW HB3 ALA 361 - CB ALA 395 2.60 6 0.09 0.35 +++ + * + VdW C ALA 361 - HG LEU 365 2.50 8 0.19 0.53 + *+ + + ++ + VdW O ALA 361 - C LEU 362 2.80 14 0.22 0.32 + +++++++ + +*++ + VdW O ALA 361 - N LEU 365 2.75 12 0.20 0.30 +++ ++ ++ +*+ + + VdW O ALA 361 - H LEU 365 1.80 13 0.21 0.31 +++ +++ ++ +*+ + + VdW O ALA 361 - CG LEU 365 2.90 14 0.22 0.47 + ++*+ ++ + + ++++ + VdW O ALA 361 - HG LEU 365 2.30 14 0.46 0.84 + ++++ ++ + + +++* + VdW HA LEU 362 - CD1 LEU 362 2.60 6 0.12 0.46 +* + + + + VdW HA LEU 362 - HD12 LEU 365 2.00 6 0.10 0.40 + * +++ + VdW CD1 LEU 362 - HB2 PRO 412 2.60 8 0.17 0.51 ++ * + + + + + VdW CD2 LEU 362 - HB2 PRO 412 2.60 12 0.31 0.77 + +++* + +++ + ++ VdW HD23 LEU 362 - HB2 PRO 412 2.00 6 0.17 0.56 + + + * ++ VdW O ALA 363 - HB3 GLU 367 2.30 6 0.13 0.47 + + + +* + VdW N GLN 364 - HG2 GLN 364 2.45 18 0.32 0.43 ++++++* ++++++ +++++ VdW H GLN 364 - CG GLN 364 2.55 18 0.29 0.41 +++++++ *+++++ +++++ VdW H GLN 364 - HG2 GLN 364 1.95 18 0.43 0.65 +++++++ +++*++ +++++ VdW O GLN 364 - HB2 LEU 368 2.30 19 0.37 0.52 ++++++*++++ ++++++++ VdW H LEU 365 - HG LEU 365 1.95 8 0.17 0.43 +++ * ++ + + VdW HB3 LEU 365 - HA VAL 388 2.00 6 0.13 0.49 ++* + ++ VdW CD1 LEU 365 - HA PHE 392 2.60 9 0.15 0.43 + ++ ++ + +* + VdW CD2 LEU 365 - HG3 GLN 391 2.60 12 0.23 0.46 + +++* ++ + + ++ + VdW CD2 LEU 365 - HE21 GLN 391 2.55 9 0.15 0.45 + * + + + + + + + VdW O LEU 365 - CB CYS 369 2.90 8 0.12 0.31 ++ * ++ ++ + VdW O LEU 365 - HB3 CYS 369 2.30 7 0.12 0.45 ++ * ++ + + VdW O LEU 365 - SG CYS 369 3.10 14 0.41 0.84 ++ + * +++ + +++ +++ VdW HA ARG 366 - SG CYS 369 2.80 9 0.19 0.49 +++ *+ + ++ + VdW CG GLU 367 - C GLU 367 2.90 8 0.17 0.24 ++ +* ++ ++ VdW CG GLU 367 - N LEU 368 3.05 16 0.26 0.37 +++ + + +++++++*+ ++ VdW HG3 GLU 367 - N LEU 368 2.45 7 0.18 0.69 ++ + * + ++ VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.12 0.47 * +++ + + VdW HA CYS 369 - CE3 TRP 372 2.60 9 0.22 0.55 + + + *+ +++ + VdW HA CYS 369 - HE3 TRP 372 2.00 18 0.39 0.52 +++++++*+++ ++++ +++ VdW CB CYS 369 - CD2 LEU 387 3.20 14 0.24 0.39 + + +*+ +++++ + +++ VdW CB CYS 369 - HD21 LEU 387 2.60 6 0.11 0.38 + + + *++ VdW CB CYS 369 - HD22 LEU 387 2.60 6 0.13 0.57 + + *+ + + VdW HB2 CYS 369 - CD1 LEU 373 2.60 10 0.23 0.67 + + + ++ *++ ++ VdW HB2 CYS 369 - HG LEU 387 2.00 6 0.13 0.41 +++ + * + VdW HB3 CYS 369 - CD2 LEU 387 2.60 10 0.21 0.54 + *+ ++++ + + + VdW HB3 CYS 369 - HD21 LEU 387 2.00 6 0.15 0.63 + + + ++* VdW HB3 CYS 369 - HD22 LEU 387 2.00 6 0.14 0.59 + * ++ + + VdW SG CYS 369 - N ARG 370 3.25 16 0.28 0.43 +*+ + +++ +++++++ ++ VdW SG CYS 369 - H ARG 370 2.75 9 0.16 0.34 + + + + ++ * ++ VdW SG CYS 369 - HB3 LEU 384 2.80 7 0.14 0.41 * + ++++ + VdW SG CYS 369 - CG LEU 384 3.40 13 0.29 0.55 ++++ + ++* ++ +++ VdW SG CYS 369 - HG LEU 384 2.80 13 0.43 0.89 ++++ + ++* ++ +++ VdW SG CYS 369 - CD1 LEU 384 3.40 6 0.13 0.33 + + *+ + + VdW O CYS 369 - N TRP 372 2.75 8 0.17 0.29 + + + +* + + + VdW O CYS 369 - N LEU 373 2.75 19 0.42 0.64 ++++*++++++ ++++++++ VdW O CYS 369 - H LEU 373 1.80 18 0.39 0.62 ++++++++++ +++++++* VdW H GLN 371 - CG GLN 371 2.55 17 0.28 0.41 ++++ +++++ +++++++* VdW CG TRP 372 - C TRP 372 2.90 20 0.24 0.26 +++++++++*++++++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.34 0.43 ++++++++++++++++*+++ VdW CD1 TRP 372 - O TRP 372 2.90 16 0.28 0.53 + ++++++ *+ ++++ +++ VdW HD1 TRP 372 - O TRP 372 2.30 11 0.21 0.39 + + ++ + *+ ++ ++ VdW CZ3 TRP 372 - CG LEU 387 3.20 9 0.19 0.40 + +* ++++ + + VdW CZ3 TRP 372 - HG LEU 387 2.60 17 0.42 0.60 ++++ *+++ ++++++ +++ VdW CH2 TRP 372 - CB LEU 387 3.20 17 0.32 0.46 ++++ +*++ +++++ ++++ VdW HH2 TRP 372 - CB LEU 387 2.60 20 0.39 0.48 ++++++++++*+++++++++ VdW HH2 TRP 372 - HB2 LEU 387 2.00 9 0.17 0.40 ++ + + *++ + + VdW HH2 TRP 372 - HB3 LEU 387 2.00 9 0.17 0.38 + + ++ + + + *+ VdW CD1 LEU 373 - CD1 LEU 387 3.20 7 0.14 0.43 + + ++ + * + VdW HA ARG 374 - CD PRO 375 2.60 15 0.25 0.31 + ++++++ +++++ ++* VdW C ARG 374 - H GLU 376 2.45 20 0.34 0.38 +*++++++++++++++++++ VdW CB PRO 375 - HE3 LYS 380 2.60 7 0.11 0.38 ++ * + +++ VdW HB3 PRO 375 - HE3 LYS 380 2.00 8 0.13 0.43 +*+ + + +++ VdW HD3 PRO 375 - NZ LYS 380 2.50 7 0.12 0.45 ++* + + ++ VdW CB ARG 378 - H SER 379 2.55 10 0.22 0.32 + ++++ + ++ + * VdW O SER 379 - HB2 MET 383 2.30 7 0.16 0.41 * +++ + ++ VdW HA LYS 380 - HE2 LYS 380 2.00 7 0.17 0.57 +++ + + *+ VdW CG GLU 381 - C GLU 381 2.90 7 0.10 0.24 + + + + * + + VdW O GLU 381 - CG GLU 385 2.90 16 0.27 0.39 +++++++++ ++*++ + + VdW O GLU 381 - HG2 GLU 385 2.30 14 0.23 0.39 *++ +++++ + +++ ++ VdW CB MET 383 - CE MET 383 3.00 18 0.22 0.25 ++ +++++++*++++++++ VdW HB2 MET 383 - CE MET 383 2.60 10 0.18 0.29 + + *+ + + + +++ VdW O MET 383 - CG LEU 386 2.90 12 0.22 0.54 + ++ *+++ + + ++ + VdW O MET 383 - HG LEU 386 2.30 12 0.32 0.68 + ++ *+++ + + ++ + VdW O MET 383 - CD2 LEU 386 2.90 6 0.13 0.54 +++ + + * VdW O MET 383 - CD1 LEU 387 2.90 10 0.17 0.36 ++ + + +* + +++ VdW N LEU 384 - CD1 LEU 384 3.05 10 0.20 0.47 +++ ++* ++ ++ VdW N LEU 384 - CD2 LEU 384 3.05 6 0.09 0.30 + *+++ + VdW H LEU 384 - CD1 LEU 384 2.55 8 0.12 0.29 +++ +* ++ + VdW CA LEU 384 - CD1 LEU 387 3.20 13 0.21 0.33 ++++ ++ + ++*+ + + VdW HA LEU 384 - CD1 LEU 387 2.60 16 0.37 0.54 ++++ ++ + +*++++ +++ VdW HA LEU 384 - HD13 LEU 387 2.00 9 0.23 0.70 ++ ++ + *++ + VdW C LEU 384 - H LEU 386 2.45 6 0.11 0.43 + + + ++ * VdW C LEU 384 - CG1 VAL 388 3.10 7 0.15 0.55 * + ++ ++ + VdW O LEU 384 - CD1 LEU 387 2.90 7 0.17 0.61 + + *+++ + VdW O LEU 384 - HD11 LEU 387 2.30 8 0.19 0.83 ++ + + ++* + VdW O LEU 384 - N VAL 388 2.75 12 0.24 0.42 +++++ + + + ++*+ VdW O LEU 384 - H VAL 388 1.80 11 0.20 0.41 ++++ + + + ++*+ VdW O LEU 384 - CG1 VAL 388 2.90 7 0.21 0.69 + + +* ++ + VdW CD1 LEU 386 - C LEU 386 3.10 12 0.25 0.49 + ++ *+++ + + ++ + VdW CD2 LEU 386 - N LEU 387 3.05 7 0.10 0.41 +++ + * + + VdW N LEU 387 - CD1 LEU 387 3.05 6 0.17 0.37 + ++ * + + VdW H LEU 387 - CD1 LEU 387 2.55 15 0.30 0.60 +++ ++++ *++ ++ +++ VdW H LEU 387 - HD11 LEU 387 1.95 10 0.27 0.83 ++ ++ ++++* + VdW CD2 LEU 387 - C LEU 387 3.10 16 0.34 0.52 ++*+ ++ + ++++++ +++ VdW CD2 LEU 387 - N VAL 388 3.05 17 0.60 0.78 ++++ ++++ +++*++ +++ VdW CD2 LEU 387 - H VAL 388 2.55 15 0.27 0.59 ++++ * ++ + ++++ +++ VdW HD21 LEU 387 - N VAL 388 2.45 10 0.23 0.70 ++++ + + *+ + + VdW HD22 LEU 387 - C LEU 387 2.50 6 0.19 0.75 + + + +*+ VdW HD22 LEU 387 - N VAL 388 2.45 10 0.29 0.95 + + *+ ++ + +++ VdW HD23 LEU 387 - C LEU 387 2.50 6 0.18 0.74 * + ++ + + VdW HD23 LEU 387 - N VAL 388 2.45 10 0.28 0.82 + + *+ +++ +++ VdW N VAL 388 - CG1 VAL 388 2.85 7 0.08 0.24 + + ++ +* + VdW H VAL 388 - CG1 VAL 388 2.55 7 0.14 0.45 + + ++ +* + VdW CG1 VAL 388 - HB3 PRO 412 2.60 7 0.14 0.38 + + * + ++ + VdW CG2 VAL 388 - C VAL 388 2.90 7 0.11 0.33 + + ++ +* + VdW O VAL 388 - N PHE 392 2.75 17 0.26 0.38 ++++++ +++ ++ +*++++ VdW O VAL 388 - H PHE 392 1.80 9 0.20 0.34 + ++ * + + ++ + VdW O VAL 388 - CB PHE 392 2.90 9 0.17 0.41 ++ ++ ++ *++ VdW CB LEU 389 - HA SER 411 2.60 6 0.14 0.34 + ++ +* + VdW HB2 LEU 389 - CA SER 411 2.60 12 0.21 0.37 +++ + + ++ ++++* VdW HB2 LEU 389 - HA SER 411 2.00 17 0.36 0.64 +++ +++ ++* ++++++++ VdW HB2 LEU 389 - HD3 PRO 412 2.00 6 0.14 0.42 + ++* ++ VdW HG LEU 389 - C GLY 410 2.50 7 0.14 0.46 +++ + ++ * VdW HG LEU 389 - N SER 411 2.45 8 0.16 0.47 ++* + ++ + + VdW CD1 LEU 389 - C LEU 389 3.10 7 0.12 0.27 +++ + * + + VdW CD1 LEU 389 - N SER 411 3.05 7 0.12 0.37 + * + ++++ VdW CD2 LEU 389 - C GLY 410 3.10 11 0.15 0.31 + ++ + + *+++++ VdW CD GLN 391 - C GLN 391 3.00 8 0.15 0.32 + + + * + +++ VdW CD GLN 391 - O GLN 391 2.80 7 0.16 0.38 + ++ * + ++ VdW NE2 GLN 391 - O GLN 391 2.75 16 0.29 0.47 ++ +++ +++ +*++++++ VdW O GLN 391 - C PHE 392 2.80 11 0.21 0.30 ++ + * +++++ ++ VdW O GLN 391 - N GLY 394 2.75 17 0.27 0.39 ++++ ++++++++*++++ VdW O GLN 391 - H GLY 394 1.80 13 0.22 0.38 ++ +++++ + *++++ VdW CD1 PHE 392 - C PHE 392 3.10 9 0.32 0.81 ++*++ ++ ++ VdW CD1 PHE 392 - O PHE 392 2.90 9 0.15 0.44 +++++ +* ++ VdW CD1 PHE 392 - N LEU 393 3.05 6 0.11 0.41 + *+ ++ + VdW HD1 PHE 392 - C PHE 392 2.50 9 0.41 1.08 ++*++ ++ ++ VdW HD1 PHE 392 - O PHE 392 2.30 9 0.21 0.64 ++*++ ++ ++ VdW HD1 PHE 392 - N LEU 393 2.45 9 0.27 0.77 *++++ ++ ++ VdW CE1 PHE 392 - CA ALA 416 3.20 8 0.19 0.51 +*+++ + ++ VdW CE1 PHE 392 - HA ALA 416 2.60 7 0.14 0.53 +*+++ + + VdW CE1 PHE 392 - CB ALA 416 3.20 10 0.21 0.53 +++++ + *+++ VdW HE1 PHE 392 - CA ALA 416 2.60 6 0.16 0.56 +++* + + VdW HE1 PHE 392 - CB ALA 416 2.60 9 0.33 0.88 ++*++ + + ++ VdW HE1 PHE 392 - HB1 ALA 416 2.00 6 0.12 0.55 ++* + + + VdW CZ PHE 392 - CA ALA 416 3.20 19 0.42 0.65 ++++++++*++ ++++++++ VdW CZ PHE 392 - HA ALA 416 2.60 19 0.67 0.99 +++++++++++ +*++++++ VdW HZ PHE 392 - CA ALA 416 2.60 14 0.32 0.66 ++ + +++* + +++ ++ + VdW HZ PHE 392 - HA ALA 416 2.00 18 0.68 0.99 +++++++++++ +++ +++* VdW CE2 PHE 392 - CA ALA 416 3.20 8 0.17 0.62 +++ + +* ++ VdW CE2 PHE 392 - HA ALA 416 2.60 7 0.15 0.81 + + +* + ++ VdW CE2 PHE 392 - CB ALA 416 3.20 9 0.19 0.50 ++*++ ++ ++ VdW HE2 PHE 392 - CB ALA 416 2.60 9 0.32 0.84 ++++* ++ ++ VdW CD2 PHE 392 - C PHE 392 3.10 10 0.34 0.87 +++*+ + ++++ VdW CD2 PHE 392 - O PHE 392 2.90 9 0.14 0.41 +++*+ + + ++ VdW CD2 PHE 392 - N LEU 393 3.05 9 0.14 0.53 +++*+ + + ++ VdW HD2 PHE 392 - C PHE 392 2.50 10 0.43 1.17 +++*+ + ++++ VdW HD2 PHE 392 - O PHE 392 2.30 9 0.20 0.75 +++*+ + + ++ VdW HD2 PHE 392 - N LEU 393 2.45 9 0.31 0.73 +++*+ + + ++ VdW HD2 PHE 392 - CA LEU 393 2.60 7 0.12 0.33 ++ ++ + * + VdW O PHE 392 - N ALA 395 2.75 17 0.27 0.40 +++*+++++++ ++ ++++ VdW O PHE 392 - H ALA 395 1.80 14 0.26 0.42 + ++++++++ ++ *++ VdW O LEU 393 - CD GLN 401 2.80 9 0.22 0.71 +++ ++ * + + + VdW O LEU 393 - NE2 GLN 401 2.75 13 0.33 0.88 +++ *+++ + +++++ VdW HA2 GLY 394 - NE2 GLN 401 2.45 6 0.12 0.29 +++ + *+ VdW C GLY 394 - NE2 GLN 401 2.95 7 0.11 0.33 + + + + *++ VdW N LEU 396 - HG LEU 396 2.45 8 0.14 0.27 +++ ++ +* + VdW H LEU 396 - HG LEU 396 1.95 8 0.12 0.37 + ++ ++ * + + VdW CD1 LEU 396 - CG1 VAL 419 3.20 12 0.22 0.45 ++ ++++*++ + + + VdW CD2 LEU 396 - CB VAL 419 3.20 6 0.10 0.33 ++ +* + + VdW O LEU 396 - CD GLN 401 2.80 9 0.14 0.43 +++ * + + +++ VdW O LEU 396 - NE2 GLN 401 2.75 18 0.53 0.87 +++*+++++ + ++++++++ VdW CD PRO 397 - HG13 ILE 400 2.60 15 0.22 0.38 ++++++++++ * + +++ VdW CB PRO 397 - CD PRO 398 3.20 17 0.26 0.35 ++ +++++++++ +*++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.35 0.45 +++++++++++++++*++++ VdW HB2 PRO 397 - CD PRO 398 2.60 16 0.28 0.43 ++ + +++++++ +*++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.49 0.66 +++++++++++++++*++++ VdW HG2 PRO 397 - CG GLU 399 2.60 7 0.13 0.32 + ++ + ++* VdW HD2 PRO 397 - CG1 ILE 400 2.60 7 0.13 0.38 + + + + *++ VdW HD2 PRO 397 - HG13 ILE 400 2.00 17 0.38 0.68 ++++++++++* +++ +++ VdW O PRO 397 - HG3 GLN 401 2.30 8 0.21 0.88 +++ + + * ++ VdW N ILE 400 - HG12 ILE 400 2.45 9 0.15 0.36 ++ +++ *+ + + VdW CG2 ILE 400 - CD1 ILE 400 3.00 14 0.23 0.33 +++++*+++++ ++ + VdW CG2 ILE 400 - HB VAL 419 2.60 6 0.14 0.39 ++ +* + + VdW HA GLN 401 - CG1 VAL 404 2.60 13 0.24 0.39 ++++++ +*+ + +++ VdW N VAL 404 - CG1 VAL 404 2.85 9 0.18 0.23 +++ * +++ ++ VdW N VAL 404 - CD2 LEU 422 3.05 11 0.21 0.44 + *++ ++++ ++ + VdW H VAL 404 - CG1 VAL 404 2.55 18 0.32 0.42 + ++++++*++++++++ ++ VdW HA VAL 404 - HB2 GLN 407 2.00 9 0.12 0.28 + + +++ + *+ + VdW CG2 VAL 404 - C VAL 404 2.90 17 0.26 0.32 + ++++++*+++ ++++ ++ VdW HB3 GLN 407 - HE21 GLN 407 1.95 10 0.16 0.39 + +++++ ++*+ VdW HB3 PRO 409 - CD1 LEU 418 2.60 7 0.13 0.44 ++ + ++* + VdW HG2 PRO 409 - H GLY 410 1.95 10 0.16 0.28 + + +* + ++++ + VdW O PRO 412 - HB2 ALA 416 2.30 6 0.11 0.46 +++ + * + VdW N GLU 414 - HG2 GLU 414 2.45 8 0.17 0.32 ++ + ++ * ++ VdW H GLU 414 - HG2 GLU 414 1.95 7 0.12 0.36 + + + + *+ + VdW O GLU 414 - CD2 LEU 418 2.90 17 0.29 0.56 ++++++++ ++ + *+++++ VdW HA ALA 415 - CG LEU 418 2.60 12 0.22 0.41 +* ++ ++ ++ ++++ VdW HA ALA 415 - CD1 LEU 418 2.60 10 0.19 0.43 +* ++++ + + ++ VdW C ALA 415 - H ALA 417 2.45 7 0.11 0.32 + ++ +* ++ VdW O ALA 417 - C LEU 418 2.80 6 0.11 0.29 + + + + + * VdW O ALA 417 - N ASP 420 2.75 7 0.12 0.44 + + + ++ + * VdW N LEU 418 - HG LEU 418 2.45 9 0.15 0.28 * + + + + + + ++ VdW H LEU 418 - HG LEU 418 1.95 7 0.16 0.41 + +++ + +* VdW H VAL 419 - CG1 VAL 419 2.55 6 0.12 0.44 ++ ++ *+ VdW CG2 VAL 419 - C VAL 419 2.90 6 0.10 0.33 ++ ++ *+ VdW O LEU 422 - C ARG 423 2.80 8 0.18 0.48 ++ ++ + + * + VdW HD2 ARG 423 - HH11 ARG 423 1.95 7 0.11 0.30 *++ ++ + + Angle PSI ARG 44 -54.00 -34.00 17 7.42 13.19 +++ +++++++ + +++++* Angle PHI LEU 45 -72.00 -52.00 8 3.84 9.54 +++ ++ * ++ Angle PHI PHE 47 -74.00 -54.00 15 8.26 15.92 ++++++++++* + + + + Angle PSI ARG 48 -34.00 -4.00 7 4.32 13.92 ++ + + +* + Angle PHI CYS 49 -106.00 -66.00 6 3.43 9.84 + * + + + + Angle PSI CYS 49 -51.00 -5.00 20 12.13 18.89 +++++*++++++++++++++ Angle PSI PHE 50 120.00 140.00 17 8.54 16.28 ++++ *+++++ +++ ++++ Angle PHI HIS 51 -128.00 -90.00 19 20.98 30.56 +++++*+++++ ++++++++ Angle PHI GLU 54 -70.00 -50.00 16 10.77 34.87 *++++++ ++++ ++++ + Angle PSI GLU 54 -38.00 -16.00 13 7.15 20.16 + +++ +++ +++ ++* Angle PHI ALA 55 -80.00 -58.00 19 15.78 28.08 ++++++++++++*++++++ Angle PSI ALA 55 -50.00 -30.00 7 5.94 30.87 + *+ + + + + Angle PSI THR 56 -15.00 15.00 16 16.05 38.78 + ++++++ +++ ++* +++ Angle PSI PRO 58 -41.00 -31.00 15 12.46 39.08 +++ ++++ ++*++ + ++ Angle PHI GLN 59 -77.00 -57.00 20 23.12 43.71 +++++++++++++++*++++ Angle PHI GLU 60 -75.00 -55.00 20 19.21 38.68 +++++++++++*++++++++ Angle PSI GLU 60 -54.00 -34.00 19 11.89 25.54 +++++++++++*++ +++++ Angle PHI ALA 61 -72.00 -52.00 16 15.51 27.15 +++ +++ ++++++ + *++ Angle PHI LEU 62 -71.00 -51.00 20 14.28 35.11 +++++++++++++++*++++ Angle PSI ALA 63 -48.00 -28.00 12 8.29 31.99 + +++++ ++*+++ Angle PSI ARG 66 -50.00 -30.00 9 5.07 10.44 + + *+ ++ + + + Angle PHI GLU 67 -79.00 -59.00 20 12.56 21.78 +*++++++++++++++++++ Angle PHI ARG 70 -73.00 -53.00 7 4.23 10.24 + ++ ++ * + Angle PSI GLN 71 -47.00 -17.00 13 6.11 13.40 + +++*++ ++ + ++ + Angle PSI VAL 77 -29.00 -5.00 19 6.60 8.06 +++*++++++ +++++++++ Angle PSI SER 79 155.00 175.00 11 5.17 10.65 + ++ + +++ +* ++ Angle PSI LYS 80 -48.00 -28.00 15 6.08 15.52 +++ +++ *++++++ ++ Angle PSI GLU 81 -50.00 -30.00 20 10.90 18.93 +++++*++++++++++++++ Angle PHI GLN 82 -76.00 -56.00 20 17.50 23.70 +++++*++++++++++++++ Angle PSI GLN 82 -48.00 -28.00 8 3.61 8.70 *+ ++ + +++ Angle PSI MET 83 -52.00 -32.00 13 5.76 14.04 +++ + + ++* +++++ Angle PSI LEU 84 -52.00 -32.00 8 4.32 12.93 + ++ + + *++ Angle PSI GLU 85 -54.00 -34.00 20 18.22 26.78 ++++++++++++++++*+++ Angle PHI LEU 86 -74.00 -54.00 11 6.44 14.05 + ++++ + +*+++ Angle PSI LEU 86 -51.00 -31.00 9 4.51 14.15 * + + + + + + ++ Angle PHI LEU 87 -77.00 -57.00 20 33.82 42.21 +++++++++++*++++++++ Angle PHI VAL 88 -78.00 -58.00 6 5.22 17.65 + + + * ++ Angle PHI GLN 91 -74.00 -54.00 18 9.10 16.71 +* ++ ++++++++++++++ Angle PHI PHE 92 -74.00 -54.00 20 16.71 23.50 +*++++++++++++++++++ Angle PHI LEU 93 -72.00 -52.00 17 8.39 13.85 +*+++++++++ + + ++++ Angle PSI LEU 93 -49.00 -29.00 6 2.59 10.10 * + + + + + Angle PSI PRO 97 132.20 154.90 20 29.06 34.93 +++++++++++++++*++++ Angle PSI PRO 98 -46.00 -28.00 20 21.17 31.28 +++++++*++++++++++++ Angle PHI GLU 99 -76.00 -56.00 20 16.19 25.66 +++++++*++++++++++++ Angle PHI ILE 100 -73.00 -53.00 20 16.15 22.64 +++++*++++++++++++++ Angle PHI ARG 103 -73.00 -53.00 20 12.20 17.40 +*++++++++++++++++++ Angle PSI ARG 103 -53.00 -33.00 10 4.89 9.68 +++ + ++ * + + + Angle PHI GLY 106 -79.00 -59.00 13 6.96 15.55 ++ ++ *+ +++ ++ ++ Angle PSI GLY 106 -40.00 -6.00 10 8.93 26.32 + ++ * ++++++ Angle PHI GLY 110 58.00 92.00 9 7.41 22.82 + ++ + *+++ + Angle PHI GLU 113 -75.00 -55.00 11 4.34 9.38 + + +++++ *+++ Angle PSI GLU 113 -51.00 -31.00 15 11.36 23.37 *++++++++++ + +++ Angle PHI GLU 114 -74.00 -54.00 12 18.74 37.00 *++ +++ ++ + + ++ Angle PSI ALA 115 -49.00 -29.00 8 5.35 14.47 + + *+ + + + + Angle PSI ALA 116 -50.00 -30.00 12 25.08 51.38 +++ +++ +* ++++ Angle PHI ALA 117 -74.00 -54.00 15 36.78 70.56 +++ ++++ +* ++ ++++ Angle PHI LEU 118 -79.00 -59.00 18 13.18 29.95 +++++++*+ + ++++++++ Angle PHI VAL 119 -74.00 -54.00 9 4.09 8.64 ++ +*++ + ++ Angle PHI ASP 120 -69.00 -49.00 18 11.53 19.62 +++*+++++++++ + ++++ Angle PSI ARG 344 -54.00 -34.00 17 7.88 14.04 + +++++++ +*+++++++ Angle PHI LEU 345 -72.00 -52.00 10 4.88 13.81 + + ++++ + +* + Angle PHI PHE 347 -74.00 -54.00 16 8.95 17.06 + +++++ ++++++ +++* Angle PSI ARG 348 -34.00 -4.00 9 4.57 15.66 + +*++++ ++ Angle PHI CYS 349 -106.00 -66.00 7 4.06 9.07 + + * ++ + + Angle PSI CYS 349 -51.00 -5.00 20 11.04 20.25 +++++*++++++++++++++ Angle PSI PHE 350 120.00 140.00 17 9.42 16.64 ++++++*++++ ++ ++++ Angle PHI HIS 351 -128.00 -90.00 19 21.02 29.04 ++++++*++++ ++++++++ Angle PHI GLU 354 -70.00 -50.00 13 7.06 13.99 ++ +++++ + + ++*+ Angle PSI GLU 354 -38.00 -16.00 14 9.18 23.34 ++*++++ ++ + + ++ + Angle PHI ALA 355 -80.00 -58.00 18 16.34 33.25 ++*++++++++ +++ ++++ Angle PSI ALA 355 -50.00 -30.00 11 9.84 36.75 ++ *++ ++++++ Angle PSI THR 356 -15.00 15.00 19 20.20 44.26 +++++++++++++++* +++ Angle PSI PRO 358 -41.00 -31.00 17 11.23 32.43 +++++++ ++++++ * +++ Angle PHI GLN 359 -77.00 -57.00 20 22.17 42.01 +++++++++++++++*++++ Angle PSI GLN 359 -46.00 -26.00 6 4.06 30.37 + + * ++ + Angle PHI GLU 360 -75.00 -55.00 20 20.03 45.86 +++++++++++*++++++++ Angle PSI GLU 360 -54.00 -34.00 19 10.53 18.59 ++++++++ ++++++*++++ Angle PHI ALA 361 -72.00 -52.00 15 14.81 26.95 +++++*+ ++++ ++++ Angle PHI LEU 362 -71.00 -51.00 19 14.47 22.27 +++++++++++ +++*++++ Angle PSI ALA 363 -48.00 -28.00 13 8.29 33.31 ++ ++ ++ + ++*++ + Angle PSI ARG 366 -50.00 -30.00 7 4.15 9.78 +++ * +++ Angle PHI GLU 367 -79.00 -59.00 19 10.99 19.73 ++++++++++ *++++++++ Angle PHI ARG 370 -73.00 -53.00 9 4.21 9.00 ++ + + *+ + + + Angle PSI GLN 371 -47.00 -17.00 11 5.65 11.53 + ++* +++++ + + Angle PSI VAL 377 -29.00 -5.00 16 6.32 8.83 ++ +++++++++ ++++ * Angle PSI SER 379 155.00 175.00 8 5.71 14.39 * ++ + + + + + Angle PSI LYS 380 -48.00 -28.00 11 5.36 13.54 ++ * + ++ ++++ + Angle PSI GLU 381 -50.00 -30.00 18 10.70 21.47 *++++++ ++++ +++++++ Angle PHI GLN 382 -76.00 -56.00 20 17.29 28.98 +++++++++*++++++++++ Angle PSI MET 383 -52.00 -32.00 14 7.21 16.98 + +++++++ ++ + *+ + Angle PHI LEU 384 -73.00 -53.00 6 4.17 15.04 * + ++ + + Angle PSI GLU 385 -54.00 -34.00 20 16.59 26.75 +++++++++++++++*++++ Angle PHI LEU 386 -74.00 -54.00 8 4.88 11.31 + + ++++ *+ Angle PHI LEU 387 -77.00 -57.00 20 31.53 39.75 +++++++*++++++++++++ Angle PHI VAL 388 -78.00 -58.00 8 5.35 19.45 + * + +++ ++ Angle PHI GLN 391 -74.00 -54.00 17 9.30 13.22 +*++++++++ + ++ ++++ Angle PHI PHE 392 -74.00 -54.00 20 16.63 23.88 +++++++*++++++++++++ Angle PHI LEU 393 -72.00 -52.00 17 8.87 14.06 ++ *+++++ +++++ ++++ Angle PSI PRO 397 132.20 154.90 20 28.85 33.62 +++++++++++++++*++++ Angle PSI PRO 398 -46.00 -28.00 20 18.40 30.49 +++++++++++++*++++++ Angle PHI GLU 399 -76.00 -56.00 20 13.09 24.31 +++++++++++++*++++++ Angle PHI ILE 400 -73.00 -53.00 20 15.41 25.28 +++++++++++++*++++++ Angle PSI GLN 401 -51.00 -31.00 7 3.17 9.23 ++ * + + ++ Angle PHI ARG 403 -73.00 -53.00 20 10.83 15.50 ++++++++++*+++++++++ Angle PSI ARG 403 -53.00 -33.00 7 4.59 10.22 + + + * + + + Angle PHI GLY 406 -79.00 -59.00 11 7.60 15.16 ++++++ * ++ ++ Angle PSI GLY 406 -40.00 -6.00 12 7.60 18.30 ++ + ++ +++*+++ Angle PHI GLY 410 58.00 92.00 10 7.92 22.30 + + ++ + ++*+ + Angle PHI GLU 413 -75.00 -55.00 9 4.53 8.60 +++++ + ++* Angle PSI GLU 413 -51.00 -31.00 13 11.64 23.06 ++* +++++++ + ++ Angle PHI GLU 414 -74.00 -54.00 14 21.14 45.04 *++ +++ +++++ + ++ Angle PSI ALA 415 -49.00 -29.00 9 5.88 20.35 *+ ++ ++ + ++ Angle PHI ALA 416 -73.00 -53.00 6 3.22 8.98 +++ * + + Angle PSI ALA 416 -50.00 -30.00 11 20.26 54.32 * +++ +++ + + ++ Angle PHI ALA 417 -74.00 -54.00 15 29.34 69.52 ++*++++ ++ + +++++ Angle PSI ALA 417 -50.00 -30.00 6 3.75 12.86 * + + + + + Angle PHI LEU 418 -79.00 -59.00 17 13.87 28.19 +++++ +++++ +++ +++* Angle PHI VAL 419 -74.00 -54.00 9 4.13 10.44 ++++ ++ + +* Angle PHI ASP 420 -69.00 -49.00 17 10.80 18.10 + ++++++++* +++ ++++ 520 violated distance constraints. 119 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.50 +/- 0.25 A (0.27..1.32 A; 20 structures) Average heavy atom RMSD to mean : 0.94 +/- 0.20 A (0.71..1.59 A; 20 structures)