Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 490.37 397 0.1469 5.87 395 232.8 1.60 82 7.6799 34.04 2 491.96 411 0.1470 5.69 418 238.9 1.60 86 7.7864 33.46 3 493.55 422 0.1468 5.64 428 236.0 1.62 95 7.9562 30.98 4 493.95 423 0.1467 5.66 432 239.0 1.63 89 7.7633 30.07 5 494.20 428 0.1452 5.54 416 241.3 1.67 96 7.8654 33.53 6 494.84 412 0.1470 5.78 415 234.4 1.61 95 8.3369 43.29 7 495.35 412 0.1470 5.83 428 237.3 1.68 93 8.0351 40.45 8 496.63 428 0.1476 5.74 414 234.6 1.61 92 8.3297 32.12 9 499.37 414 0.1468 5.72 434 240.4 1.67 96 7.7421 31.49 10 501.98 426 0.1498 5.75 398 233.7 1.56 86 7.4178 33.20 11 503.54 427 0.1471 5.55 440 248.3 1.68 89 7.6936 33.37 12 503.66 415 0.1476 5.69 434 246.7 1.65 92 7.9305 31.88 13 504.13 422 0.1480 5.71 422 242.2 1.59 93 7.8967 32.59 14 504.24 414 0.1498 5.73 428 242.6 1.54 87 7.8295 33.34 15 504.67 428 0.1475 5.56 434 243.3 1.67 97 7.8566 32.17 16 506.14 420 0.1488 5.75 411 239.6 1.66 88 7.7201 32.99 17 506.69 400 0.1489 5.66 420 237.4 1.63 94 8.0323 31.29 18 507.49 411 0.1489 5.86 420 242.6 1.56 90 8.2291 32.34 19 507.58 445 0.1486 5.86 426 242.0 1.64 92 8.1965 34.01 20 508.86 435 0.1503 5.75 434 242.5 1.54 88 8.0805 35.61 Ave 500.46 420 0.1478 5.72 422 239.8 1.62 91 7.9189 33.61 +/- 5.86 11 0.0013 0.10 12 4.1 0.04 4 0.2299 3.04 Min 490.37 397 0.1452 5.54 395 232.8 1.54 82 7.4178 30.07 Max 508.86 445 0.1503 5.87 440 248.3 1.68 97 8.3369 43.29 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PRO 40 - HD1 TRP 72 4.52 11 0.11 0.29 +++++++ + + * + peak 51 Upper H ALA 43 - HA TRP 72 5.50 14 0.17 0.52 ++ + ++ ++++*++++ peak 693 Upper QB ALA 43 - QB ARG 46 4.23 6 0.07 0.49 ++ +* + + peak 1627 Upper QB ALA 43 - HG LEU 68 4.81 9 0.13 0.46 ++ + +++ + *+ peak 1528 Upper QB ALA 43 - H TRP 72 4.03 16 0.19 0.58 ++ +++++++++++*++ peak 1652 Upper HG3 ARG 44 - HE1 TRP 72 5.50 19 0.31 0.49 +++++++++++* +++++++ peak 263 Upper HA LEU 45 - H CYS 49 4.85 6 0.08 0.21 * +++ + + peak 759 Upper H ARG 46 - QD2 LEU 68 5.38 11 0.13 0.29 ++++ + +*++ + + peak 668 Upper QB ARG 46 - QD2 LEU 68 3.30 12 0.21 0.49 ++++ +*+ ++ + + + peak 2505 Upper HB2 PHE 47 - HB3 TRP 72 5.50 20 0.38 0.63 +++++++*++++++++++++ peak 1976 Upper QD PHE 47 - HB3 CYS 69 5.39 9 0.14 0.49 ++ + + +*+ + + peak 2542 Upper QD PHE 47 - QG1 VAL 88 5.50 19 0.34 0.50 ++++++++++++ ++*++++ peak 2761 Upper QE PHE 47 - QG2 VAL 88 3.88 6 0.17 0.71 *+ ++ + + peak 316 Upper HZ PHE 47 - HA CYS 69 5.50 6 0.09 0.33 + +* + + + peak 285 Upper HZ PHE 47 - HA VAL 88 3.37 7 0.10 0.53 + + + ++ * + peak 88 Upper HZ PHE 47 - QG2 VAL 88 4.43 6 0.10 0.58 ++ *+ + + peak 294 Upper HA ARG 48 - QD ARG 48 4.14 8 0.07 0.28 ++ + + +*+ + peak 1185 Upper H PHE 50 - HG2 GLN 91 5.22 7 0.07 0.25 ++ * ++ + + peak 776 Upper HB2 PHE 50 - QD1 LEU 68 4.59 8 0.08 0.27 ++ +++ + +* peak 2013 Upper HB2 PHE 50 - QB ALA 95 5.50 20 0.32 0.63 +++++++++++++++++++* peak 2012 Upper HB3 PHE 50 - QD1 LEU 68 5.42 20 0.65 0.90 ++++++++++++++*+++++ peak 2498 Upper QD PHE 50 - HB2 GLU 60 4.39 12 0.21 0.64 ++ ++ +++++ *+ + peak 276 QD PHE 50 - HB3 GLN 64 Upper QD PHE 50 - HB2 GLN 64 4.10 7 0.09 0.36 + ++ +* ++ peak 275 Upper QD PHE 50 - QD2 LEU 65 3.32 14 0.18 0.40 ++ +*+ +++ ++++ ++ peak 281 Upper QD PHE 50 - QD1 LEU 68 3.89 14 0.17 0.34 +* ++++++++ + ++ + peak 2510 Upper QD PHE 50 - HA PHE 92 5.47 6 0.16 0.80 + + *++ + peak 3240 Upper QD PHE 50 - QB ALA 95 3.58 6 0.07 0.28 + ++ + +* peak 278 Upper QD PHE 50 - QB ALA 395 3.01 20 5.57 5.87 *+++++++++++++++++++ peak 8165 Upper QE PHE 50 - HB2 GLN 64 3.86 12 0.22 0.61 ++ + + ++* + +++ + peak 264 Upper QE PHE 50 - QD1 LEU 68 4.92 10 0.15 0.42 ++ +++++ * + + peak 269 Upper QE PHE 50 - QB ALA 95 3.86 8 0.15 0.66 + *++++ ++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 3.79 4.10 +++++++++++++++*++++ peak 8164 Upper H HIS 51 - QB ALA 95 5.50 20 1.27 1.83 +++++++++++++++++++* peak 787 Upper HB2 HIS 51 - H TYR 52 4.30 20 0.20 0.26 +++*++++++++++++++++ peak 2058 Upper H TYR 52 - QD TYR 52 3.71 11 0.10 0.27 + + ++ * + ++ +++ peak 62 Upper H TYR 52 - QB ALA 95 4.38 16 0.43 0.94 ++ + ++++++++++++ * peak 1727 Upper H TYR 52 - HB3 PRO 97 5.50 20 0.57 0.98 +++++++++++++++++++* peak 794 Upper H TYR 52 - HD2 PRO 97 5.38 6 0.08 0.38 + + + * ++ peak 789 Upper HA TYR 52 - QB ALA 95 5.33 6 0.12 0.55 ++ * ++ + peak 1717 Upper HA TYR 52 - HE21 GLN 359 5.07 20 1.70 1.91 +*++++++++++++++++++ peak 846 Upper QB TYR 52 - HD3 PRO 97 5.50 9 0.12 0.44 *++ + + + + + + peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 1.22 1.54 +++++++++++++++++++* peak 8347 Upper QD TYR 52 - QB ALA 55 5.49 17 0.24 0.46 ++++++++++++ ++++ * peak 247 Upper QD TYR 52 - H ALA 61 5.47 20 0.74 0.91 +++++++++++++++++*++ peak 870 Upper QD TYR 52 - HG3 PRO 97 5.50 6 0.05 0.20 ++ + * + + peak 3432 Upper QD TYR 52 - HD2 PRO 97 3.20 11 0.14 0.32 +++ * + +++ ++ + peak 40 Upper QD TYR 52 - HD3 PRO 97 3.70 12 0.17 0.41 *++ +++ + + + + ++ peak 241 Upper QD TYR 52 - QB ALA 395 3.67 20 2.95 3.12 +++++++++++++++++*++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 1.86 2.09 +++++++++++++++*++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 1.33 1.52 ++++++*+++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.59 1.86 ++++++++++++*+++++++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 12 0.12 0.23 + +*++ ++ +++++ peak 2087 Upper QE TYR 52 - QB ALA 55 5.35 17 0.28 0.51 +++++++*++++ ++++ + peak 235 Upper QE TYR 52 - QG2 THR 56 4.13 18 0.36 0.71 ++++++ +++++++++++ * peak 236 Upper QE TYR 52 - HA PRO 58 3.96 20 1.00 1.48 +++++++++++++++++++* peak 46 Upper QE TYR 52 - HB2 PRO 58 4.53 20 0.80 1.38 +++++++++++++++++++* peak 230 Upper QE TYR 52 - HB3 PRO 58 3.38 19 0.53 1.34 +++++++++++++ +++++* peak 232 Upper QE TYR 52 - QB ALA 95 4.76 9 0.12 0.34 + + + + * ++ + + peak 234 Upper QE TYR 52 - QG1 VAL 119 5.45 15 0.28 0.65 ++ + + + +++*++++++ peak 3975 Upper QE TYR 52 - QD ARG 123 5.50 17 0.36 1.08 +++++++ ++ ++*+ ++++ peak 4040 Upper QE TYR 52 - QB ALA 395 4.32 20 2.24 2.42 ++++++++++++++*+++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.04 1.43 ++++++*+++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.28 1.61 ++++++++++++++++++*+ peak 8114 Upper QG GLU 54 - QD1 ILE 100 4.28 20 0.81 1.16 +*++++++++++++++++++ peak 3876 Upper QB ALA 55 - HB THR 56 3.89 9 0.11 0.39 + ++ + + *++ + peak 8150 Upper HB THR 56 - HB3 GLU 60 4.06 20 0.95 1.32 +++++++++++++++++++* peak 2102 Upper QG2 THR 56 - HE21 GLN 64 5.07 8 0.14 0.51 +++ + * + ++ peak 919 Upper H GLY 57 - HG3 GLU 60 4.75 20 1.13 1.62 +++++++++++++*++++++ peak 824 Upper HA2 GLY 57 - HE21 GLN 359 5.50 8 0.11 0.82 + ++++ + + * peak 845 HA GLU 60 - HE21 GLN 359 Upper HA PRO 58 - QB ALA 61 3.39 11 0.14 0.32 ++*+++ + + + + + peak 1605 Upper HA PRO 58 - QE PHE 92 5.02 20 0.83 1.27 +++++++++++++*++++++ peak 110 Upper HA PRO 58 - HZ PHE 92 5.46 20 1.22 1.48 +++++++++++++++++++* peak 116 Upper HB2 PRO 58 - HZ PHE 92 3.63 20 0.37 0.63 +++++++++++++++++++* peak 168 Upper HB2 PRO 58 - HA ALA 116 4.31 20 1.22 1.65 +++++++++*++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 116 4.18 20 0.72 1.13 +++++++++++++++++++* peak 2132 Upper HB2 PRO 58 - QG2 VAL 119 4.11 20 0.65 0.96 +++++++++++++++++++* peak 2131 Upper HB3 PRO 58 - H LEU 96 3.74 7 0.10 0.35 + + + + *+ + peak 8254 Upper HB3 PRO 58 - QB ALA 116 4.91 20 1.17 1.58 +++++++++++++++++++* peak 8257 Upper HB3 PRO 58 - QG1 VAL 119 4.38 14 0.28 0.68 ++ + ++ *++++++++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.05 19 0.39 0.84 ++++++++++++++++++ * peak 2140 Upper HG2 PRO 58 - HZ PHE 92 4.20 11 0.13 0.41 + + +++ +++* + + peak 169 Upper HG2 PRO 58 - HA ALA 116 3.62 11 0.12 0.56 + + + *+++++++ peak 3890 HA ALA 116 - HB VAL 119 Upper HG2 PRO 58 - QB ALA 116 4.15 11 0.13 0.32 + * + ++++++++ peak 1621 QB ALA 116 - HB VAL 119 Upper HD2 PRO 58 - QG2 VAL 119 4.55 20 0.48 0.82 +++++++++*++++++++++ peak 2145 Upper HD3 PRO 58 - QG2 VAL 119 4.96 20 0.64 0.92 +++++++++*++++++++++ peak 2156 Upper H GLN 59 - HG2 GLN 59 3.43 20 1.13 1.24 +++++++++++++*++++++ peak 835 Upper H GLN 59 - QD1 LEU 62 3.96 20 1.12 1.40 +++++++++++++++++*++ peak 8308 Upper H GLN 59 - QB ALA 116 4.46 17 0.26 0.71 ++++++++++++ ++++ * peak 840 QB ALA 116 - H GLN 359 Upper H GLN 59 - HB2 LEU 362 4.88 20 0.97 1.39 ++++++++++++*+++++++ peak 838 Upper HA GLN 59 - HB3 LEU 62 4.02 17 0.39 0.84 +*++++++++++ ++++ + peak 1873 HB3 LEU 62 - HA PRO 112 Upper HA GLN 59 - QB ALA 116 4.20 20 0.99 1.35 +++++++++++++++++++* peak 2197 Upper QB GLN 59 - H ALA 363 4.06 20 2.15 2.54 *+++++++++++++++++++ peak 897 Upper HG2 GLN 59 - HE21 GLN 59 3.60 17 0.38 0.49 ++++++++++ + +++++* peak 829 Upper HG3 GLN 59 - H GLU 360 4.14 20 0.74 1.75 ++++++++++++*+++++++ peak 2220 Upper HG3 GLN 59 - QD2 LEU 362 4.06 8 0.08 0.27 + ++ ++ *+ + peak 8211 QD2 LEU 62 - HG2 GLU 113 HG2 GLU 113 - QD2 LEU 362 Upper HE21 GLN 59 - QB ALA 116 4.63 16 0.30 0.95 + ++++++++ + +++++* peak 850 QB ALA 116 - HE21 GLN 359 Upper HE21 GLN 59 - HA TYR 352 5.07 20 1.63 1.82 ++*+++++++++++++++++ peak 846 Upper HE21 GLN 59 - HA2 GLY 357 5.50 11 0.17 0.77 ++ ++++ + ++ *+ peak 845 HE21 GLN 59 - HA GLU 360 Upper HE21 GLN 59 - QD2 LEU 362 5.15 20 0.59 1.21 ++++++++++++++++++*+ peak 853 Upper HE22 GLN 59 - QB ALA 116 3.81 10 0.26 1.22 +++ + ++++*+ peak 856 Upper H GLU 60 - HG2 GLU 60 3.52 20 0.35 0.48 +++++++*++++++++++++ peak 860 H GLU 60 - HG3 GLU 60 Upper H GLU 60 - HG3 GLN 359 4.14 19 0.66 1.69 ++++++++*++++ ++++++ peak 2220 Upper HB2 GLU 60 - H ALA 61 3.79 6 0.08 0.48 + + +* + + peak 2249 Upper HB3 GLU 60 - HE21 GLN 64 4.80 7 0.15 0.57 ++ + + + +* peak 916 Upper HB3 GLU 60 - HE22 GLN 64 4.44 17 0.53 1.10 ++++ ++* + +++++++++ peak 925 Upper HG2 GLU 60 - H LEU 62 5.50 15 0.64 1.25 +++++++ + ++++++* peak 2244 Upper HG2 GLU 60 - H ALA 417 4.89 12 0.33 0.90 +* +++ ++ +++ + + peak 1290 Upper HG3 GLU 60 - HE22 GLN 64 3.84 7 0.08 0.33 + ++* + + + peak 923 Upper QB ALA 61 - QD PHE 392 3.23 20 4.08 4.30 ++++++++++++++++*+++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 2.46 2.70 ++++++++++++++++*+++ peak 8146 Upper H LEU 62 - QE PHE 92 4.66 20 0.92 1.16 +++++++++++*++++++++ peak 187 Upper HA LEU 62 - HG2 GLN 91 5.50 6 0.07 0.30 +++* + + peak 3222 Upper HA LEU 62 - H PHE 92 4.87 17 0.44 0.75 ++++*+++++++ ++++ + peak 428 Upper HB2 LEU 62 - H GLN 359 4.88 20 1.13 1.64 +++++++++*++++++++++ peak 838 Upper HB3 LEU 62 - H PHE 92 5.17 7 0.08 0.27 + +++ *++ peak 1168 HB3 LEU 65 - H PHE 92 Upper HG LEU 62 - HG3 PRO 112 5.17 14 0.30 1.10 +++ + ++ *+++++++ peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 6 0.11 0.67 + ++ * ++ peak 3840 HG LEU 62 - HG2 GLU 413 Upper QD1 LEU 62 - HB3 PRO 112 3.65 8 0.08 0.27 + + ++ + + +* peak 2274 QD1 LEU 62 - HB3 GLU 113 Upper QD1 LEU 62 - HG3 PRO 112 4.57 6 0.07 0.24 + ++ + + * peak 3748 Upper QD1 LEU 62 - H GLU 113 4.85 8 0.07 0.20 +* + ++ ++ + peak 2307 H GLU 113 - QD1 LEU 362 Upper QD1 LEU 62 - H GLU 113 4.66 18 0.36 0.54 +* ++++++++++ ++++++ peak 1274 Upper QD1 LEU 62 - HG3 GLU 113 4.83 14 0.21 0.73 ++ +*+++ ++ ++++ + peak 3835 QD1 LEU 62 - HG3 GLU 413 Upper QD1 LEU 62 - H ALA 115 5.50 16 0.29 0.82 ++ +++ + ++++++++ +* peak 1288 Upper QD1 LEU 62 - H ALA 117 5.50 20 0.96 1.33 +++++++++*++++++++++ peak 1299 Upper QD1 LEU 62 - H LEU 365 5.50 19 0.83 1.10 ++++*++++++++++++++ peak 2306 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.05 1.32 +++++++++*++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 1.73 2.15 +++++++++++++++++*++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 18 0.33 0.51 ++++++++++++++++ *+ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 1.33 1.59 +++++++++++*++++++++ peak 8267 Upper QD2 LEU 62 - H ALA 63 4.37 9 0.09 0.26 + *+ ++++ ++ peak 2311 H ALA 63 - QD2 LEU 362 Upper QD2 LEU 62 - H LEU 65 5.38 11 0.11 0.36 ++++ +++++* + peak 938 Upper QD2 LEU 62 - HG LEU 65 4.50 13 0.60 1.41 + ++ +++ +*+++++ peak 2375 Upper QD2 LEU 62 - QB ARG 66 3.60 20 0.79 1.14 +++++++++++++++++++* peak 8209 Upper QD2 LEU 62 - H LEU 89 5.50 20 0.52 0.69 +*++++++++++++++++++ peak 1133 Upper QD2 LEU 62 - HA LEU 89 4.95 20 0.49 0.70 +*++++++++++++++++++ peak 3177 Upper QD2 LEU 62 - H PHE 92 5.50 20 0.22 0.41 +++++++++++++++++++* peak 2317 Upper QD2 LEU 62 - HB2 PHE 92 5.18 20 0.46 0.67 +++++++++++++++*++++ peak 3238 Upper QD2 LEU 62 - HA GLU 113 3.44 20 1.29 1.60 +++++++++++++++++++* peak 8213 Upper QD2 LEU 62 - HE21 GLN 359 5.15 19 0.51 0.82 ++++++++*++++ ++++++ peak 853 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.22 1.59 ++++++++++++++++++*+ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.96 1.18 ++++++++++++++++*+++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 0.66 0.84 ++++++++*+++++++++++ peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 0.81 1.27 +++++++++++++*++++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 10 0.21 0.82 + + ++ + +++ *+ peak 8268 Upper H ALA 63 - QB GLN 359 4.06 20 2.37 2.59 +++*++++++++++++++++ peak 897 Upper HA ALA 63 - H ARG 66 4.23 12 0.13 0.39 ++++ +* +++++ + peak 2319 Upper QB ALA 63 - HG2 GLU 413 4.83 6 0.06 0.26 + ++ ++ * peak 3841 Upper HA GLN 64 - HE22 GLN 64 5.50 9 0.18 0.56 + ++ + +++ * + peak 394 Upper HG2 GLN 64 - HE21 GLN 64 3.37 7 0.11 0.42 ++ + + + *+ peak 912 Upper H LEU 65 - QD1 LEU 362 5.50 20 0.83 1.20 ++++++++++*+++++++++ peak 2306 Upper QD1 LEU 65 - QB ALA 95 4.51 6 0.09 0.36 + + + + + * peak 8168 Upper QD2 LEU 65 - H GLN 91 5.50 15 0.16 0.32 +++ + +* ++++++ +++ peak 1153 Upper QD2 LEU 65 - QB ALA 95 4.59 19 0.49 1.02 +++++++++*++ +++++++ peak 8295 Upper HA ARG 66 - HD3 ARG 66 5.35 9 0.08 0.16 ++ ++++ *+ + peak 1292 Upper QB ARG 66 - H GLU 67 3.33 11 0.10 0.30 +++ +++ + ++ *+ peak 952 Upper QB ARG 66 - H VAL 88 5.50 10 0.13 0.36 + ++ +++ + *++ peak 2448 Upper QB ARG 66 - QG1 VAL 88 3.76 6 0.06 0.32 + + + ++* peak 8199 Upper QG ARG 66 - HG3 GLU 67 5.50 14 0.20 0.55 ++ + ++++++ + + +*+ peak 2459 Upper QG ARG 66 - QG1 VAL 88 3.71 20 0.62 1.10 +++++++*++++++++++++ peak 8198 Upper H LEU 68 - QD1 LEU 68 3.74 6 0.07 0.43 +* + + + + peak 971 Upper HB2 CYS 69 - HB3 LEU 73 4.82 6 0.17 0.84 + +* + + + peak 8276 Upper HB3 CYS 69 - HB3 LEU 73 3.84 6 0.08 0.38 + + + + +* peak 8275 Upper HB3 CYS 69 - H VAL 88 4.45 19 0.47 0.69 +++*+ ++++++++++++++ peak 1116 Upper HG2 ARG 70 - QD1 LEU 84 3.58 12 0.20 0.59 *+ + + ++++ ++ + + peak 2574 Upper HG3 ARG 70 - H ARG 74 3.29 16 0.22 0.45 *++++++ +++ + ++++ + peak 997 Upper HD2 ARG 70 - H GLN 71 5.50 13 0.11 0.28 ++++ ++ + ++ *+++ peak 274 Upper HD2 ARG 70 - H ARG 74 5.50 8 0.09 0.33 + + *++ + ++ peak 2606 Upper HD3 ARG 70 - H ARG 74 5.50 20 0.40 0.60 +++++++*++++++++++++ peak 2605 Upper H TRP 72 - QD2 LEU 73 5.50 16 0.26 0.52 *+++ +++++ +++++++ peak 1341 Upper HD1 TRP 72 - HB3 LEU 73 5.11 6 0.07 0.17 + + ++*+ peak 224 Upper HD1 TRP 72 - QD1 LEU 73 4.14 10 0.12 0.57 +*+++ ++ + ++ peak 226 Upper HD1 TRP 72 - QD2 LEU 73 4.78 7 0.08 0.25 + + +*+ + + peak 227 Upper HE1 TRP 72 - HB3 LEU 73 5.50 7 0.08 0.33 +++ ++ * + peak 259 Upper HE1 TRP 72 - QD1 LEU 86 5.50 20 0.61 0.99 +++++++++++++++++*++ peak 260 Upper HZ2 TRP 72 - HB3 LEU 86 5.09 7 0.09 0.57 + + + + + +* peak 3072 HH2 TRP 72 - HB3 LEU 86 Upper HZ2 TRP 72 - QD1 LEU 86 4.64 12 0.19 0.50 ++ + *+ +++++ + + peak 3081 Upper HZ2 TRP 72 - HG LEU 87 3.93 18 0.59 1.41 +++++++ ++++++* ++++ peak 190 Upper HH2 TRP 72 - HA LEU 87 4.18 8 0.10 0.44 ++ + *+ + + + peak 120 Upper H LEU 73 - HD3 PRO 75 5.50 19 0.29 0.52 +++++++ +*++++++++++ peak 2703 Upper HB2 LEU 73 - H MET 83 5.50 20 0.34 0.48 +++++++++++++++++++* peak 1076 Upper HB3 LEU 73 - HG2 MET 83 5.50 16 0.26 0.58 +++++++++ ++*+++ + peak 2961 Upper QD1 LEU 73 - H MET 83 5.50 17 0.38 0.73 ++++ +++++*+++++++ peak 1073 Upper QD1 LEU 73 - HG LEU 84 3.89 16 0.48 0.94 +++ *++++++++++++ peak 2993 Upper QD2 LEU 73 - QB LEU 84 4.85 6 0.06 0.19 + + +++* peak 2938 Upper QD2 LEU 73 - H LEU 86 4.12 14 0.16 0.31 + +++++ + +++ ++ +* peak 1101 Upper QD2 LEU 73 - HA LEU 86 5.50 13 0.15 0.33 + ++*++++ +++ + + peak 1785 Upper QD2 LEU 73 - HG LEU 86 4.96 11 0.25 0.61 + + + ++ + + +++* peak 3066 Upper QB PRO 75 - HB2 LYS 80 3.63 8 0.09 0.25 * ++ + + +++ peak 2696 Upper HD2 PRO 75 - QG2 VAL 77 5.50 16 0.22 0.36 ++ ++ + +*++++++ +++ peak 1735 Upper HD2 PRO 75 - QD1 LEU 84 4.15 13 0.17 0.38 + ++++ ++ *++++ + peak 2683 Upper H GLU 76 - QG1 VAL 77 5.12 6 0.19 0.68 + * ++ ++ peak 2770 Upper H GLU 76 - QD1 LEU 84 5.50 20 0.44 0.59 +++++++++++++++*++++ peak 1008 Upper QB GLU 76 - QG2 VAL 77 4.28 6 0.06 0.23 + + ++ *+ peak 1731 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.38 1.29 + + +* ++ peak 2779 Upper HD2 ARG 78 - H MET 83 5.50 12 0.13 0.22 + ++* + + + +++ ++ peak 1067 Upper HD3 ARG 78 - HA MET 83 5.50 13 0.13 0.23 ++* + + +++ + ++++ peak 2812 Upper H GLU 81 - QD1 LEU 84 5.50 10 0.10 0.27 +++ * ++ + ++ + peak 1046 Upper HG2 MET 83 - QD1 LEU 84 5.19 10 0.09 0.35 +++ * ++ + ++ + peak 2948 Upper QB LEU 84 - QD1 LEU 87 3.12 18 0.36 1.30 ++++*++ ++++++++ +++ peak 3117 Upper QB LEU 84 - HB VAL 88 4.42 10 0.13 0.38 ++ + +++ +++ * peak 3001 Upper HG LEU 84 - H GLU 85 4.14 7 0.32 0.94 ++ + ++ * + peak 3021 Upper QD1 LEU 84 - H LEU 86 5.14 9 0.10 0.31 +++ + + +* + + peak 3023 Upper H GLU 85 - HG2 GLU 85 3.96 17 0.24 0.45 ++++++++ +++ +++++ * peak 1085 Upper H LEU 86 - HG LEU 86 3.52 12 0.27 0.71 + + ++ ++ + + +*++ peak 3075 Upper HG LEU 87 - H VAL 88 4.25 16 0.20 0.51 ++++ * + +++++ +++++ peak 1118 Upper HB VAL 88 - H LEU 89 3.24 6 0.26 0.89 ++ *+ + + peak 1130 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 0.98 1.31 ++++++++++++*+++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.21 1.55 +++++++++++++++++*++ peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 4.28 14 0.73 1.43 ++ + +++*+ ++++ ++ peak 3778 Upper H LEU 89 - HB2 PHE 92 5.50 17 0.36 0.71 +++++++++++++ +++* peak 473 Upper H LEU 89 - HG3 PRO 112 5.50 16 0.21 0.45 + ++++* +++ ++++++ + peak 3813 Upper QD2 LEU 89 - HA PRO 112 3.38 11 0.23 0.49 *++ + + ++ ++ ++ peak 3744 Upper QD2 LEU 89 - QB ALA 115 2.89 12 0.20 0.61 ++++++++ +* + + peak 1680 Upper HE22 GLN 91 - QB ALA 95 5.12 10 0.14 0.38 +++ ++ * + +++ peak 1719 Upper H PHE 92 - H ALA 95 5.50 8 0.11 0.31 +*+ +++ ++ peak 426 Upper H PHE 92 - QB ALA 95 5.50 11 0.16 0.48 +++ +++ + + + *+ peak 1728 Upper QD PHE 92 - QB ALA 361 3.23 20 4.06 4.30 +++++++++++++++*++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.91 1.19 ++++++++++++++++++*+ peak 8215 Upper QE PHE 92 - QD2 LEU 93 3.36 17 0.52 0.99 ++++++++++++ ++*+ + peak 164 Upper QE PHE 92 - H VAL 119 4.57 8 0.09 0.31 ++ +++ + * + peak 131 Upper QE PHE 92 - QB ALA 361 3.18 20 2.41 2.65 +++++++++++++++*++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 0.54 0.87 +++++++++++++*++++++ peak 8216 Upper HZ PHE 92 - QD2 LEU 96 4.18 12 0.21 0.63 + + ++*+ + +++ ++ peak 183 Upper HZ PHE 92 - QB ALA 115 4.21 9 0.13 0.53 +++ ++ * ++ + peak 178 Upper HZ PHE 92 - HB VAL 119 4.66 11 0.22 0.76 + + + ++++++*+ peak 3966 Upper HZ PHE 92 - QG2 VAL 119 4.46 14 0.19 0.52 ++ + ++ ++*++++++ peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 1.69 2.35 +++++++++++++++++++* peak 8306 Upper H LEU 93 - QD1 LEU 96 5.38 7 0.10 0.58 + + +*+ ++ peak 768 Upper HA LEU 93 - HG LEU 96 4.26 19 0.93 1.76 ++++++++++++ ++++++* peak 3330 Upper QD1 LEU 93 - QG GLN 105 4.01 7 0.06 0.17 + + + ++ *+ peak 3599 Upper QD1 LEU 93 - H ALA 115 5.50 17 0.34 0.96 *+++++ ++++++ ++++ + peak 3299 Upper H GLY 94 - QD1 LEU 96 5.17 7 0.10 0.44 + + +*+ ++ peak 1181 Upper QB ALA 95 - QD PHE 350 3.01 20 5.49 5.86 ++++++++++++++++++*+ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 3.74 4.02 ++++++++++++++++++*+ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 1.15 1.40 ++++++++++++++++++*+ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.92 3.06 ++++*+++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.27 2.47 ++++++++*+++++++++++ peak 8176 Upper H LEU 96 - HB3 LEU 96 3.77 8 0.08 0.26 + +*+ + ++ + peak 1187 Upper H LEU 96 - QD2 LEU 96 3.75 8 0.09 0.28 + + +*+ + ++ peak 3347 Upper H LEU 96 - HA GLN 101 5.50 7 0.09 0.35 + +*+ + ++ peak 3521 Upper HA LEU 96 - H GLN 101 5.50 7 0.08 0.30 * + + + + ++ peak 3367 Upper HB3 LEU 96 - HA GLN 101 5.50 7 0.08 0.26 * + + + + ++ peak 3335 Upper HB3 LEU 96 - QD TYR 352 5.50 20 1.86 2.02 ++*+++++++++++++++++ peak 8340 Upper QD1 LEU 96 - H ILE 100 4.83 10 0.12 0.30 ++ +*+ + + + ++ peak 234 QD1 LEU 96 - H ARG 103 Upper QD1 LEU 96 - HG12 ILE 100 5.49 12 0.23 0.49 +++ ++* + + ++++ peak 3468 Upper QD1 LEU 96 - HG13 ILE 100 5.50 12 0.13 0.30 +++ +++ + + ++*+ peak 3470 Upper QD1 LEU 96 - H ALA 102 5.49 12 0.14 0.34 +++ +++ + + ++*+ peak 1212 Upper QD1 LEU 96 - HA VAL 104 5.50 13 0.17 0.39 ++++*+ + + +++ ++ peak 3590 Upper QD1 LEU 96 - H GLN 105 5.50 13 0.19 0.51 +++ +++ ++ + +++* peak 3359 Upper QD2 LEU 96 - HG2 PRO 97 5.50 12 0.11 0.22 +++ +++ * + ++++ peak 3411 Upper QD2 LEU 96 - HG3 PRO 97 5.50 20 0.29 0.37 +++++++++++*++++++++ peak 3410 Upper QD2 LEU 96 - H ILE 100 5.50 13 0.32 0.62 +++ ++* + + + ++++ peak 284 Upper QD2 LEU 96 - H GLN 101 5.08 18 0.25 0.52 +++++++++ ++ +++*+++ peak 1141 Upper QD2 LEU 96 - HA GLN 101 4.97 19 0.33 0.51 +*+++++++ ++++++++++ peak 1752 Upper QD2 LEU 96 - HE21 GLN 101 5.50 15 0.25 0.45 * + + + +++ ++++++++ peak 1202 Upper QD2 LEU 96 - QQG VAL 104 4.19 10 0.11 0.29 + + + ++ ++ + *+ peak 3592 Upper QD2 LEU 96 - H VAL 119 5.05 7 0.10 0.46 + ++++ + * peak 1315 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.33 1.53 +++++++++++++*++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.13 1.30 +++++++++++++*++++++ peak 8182 Upper QB GLU 99 - HG12 ILE 100 3.63 20 0.38 0.70 +*++++++++++++++++++ peak 3476 Upper QG GLU 99 - H ILE 100 3.58 6 0.06 0.14 + * + + ++ peak 243 Upper QG GLU 99 - HB ILE 100 5.24 11 0.08 0.17 ++ + ++ + +++ *+ peak 3457 Upper QG GLU 99 - HG12 ILE 100 4.60 8 0.07 0.20 + + + ++ +*+ peak 2230 Upper HA ILE 100 - H VAL 104 4.85 16 0.20 0.40 ++*+++ +++++ ++++ + peak 737 Upper HB ILE 100 - HG3 GLN 101 3.89 6 0.08 0.22 ++ + + +* peak 3456 Upper QG2 ILE 100 - HG3 GLN 101 3.51 20 0.67 0.79 +++++++++++*++++++++ peak 1612 Upper QG2 ILE 100 - QG1 VAL 119 3.07 19 0.64 1.23 ++++++++++*++++++++ peak 1610 Upper QD1 ILE 100 - HA VAL 119 5.50 8 0.07 0.28 * + +++ ++ + peak 2730 Upper QD1 ILE 100 - HA ARG 123 5.50 9 0.13 0.37 + ++ + +++ + * peak 3484 Upper QD1 ILE 100 - QB ARG 123 3.97 9 0.12 0.40 + + + + ++++* peak 4039 QD2 LEU 122 - QB ARG 123 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.63 1.84 ++++++++++++++++*+++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.39 1.67 +++++++++++++++++++* peak 8114 Upper HG3 GLN 101 - H ALA 102 4.67 16 0.13 0.19 ++*+++ ++++ + ++++ + peak 4104 Upper HA ALA 102 - QG GLN 105 4.00 14 0.17 0.38 ++ ++ ++++ ++ ++ *+ peak 4095 Upper H ARG 103 - HB VAL 104 5.50 7 0.17 0.51 ++* + ++ + peak 3442 Upper H VAL 104 - HB VAL 104 3.42 7 0.06 0.19 +*+ + ++ + peak 728 Upper QQG VAL 104 - HE21 GLN 107 3.77 11 0.14 0.63 ++ + *+ + ++++ + peak 1240 Upper QQG VAL 104 - QB ALA 115 3.16 14 0.28 0.84 ++++ + + + + ++++* + peak 1681 Upper HA GLN 105 - H ARG 108 5.31 12 0.35 1.01 + ++ +*++ +++ + + peak 500 Upper H GLN 107 - H ARG 108 3.50 12 0.20 0.56 + ++ +*++ +++ + + peak 491 Upper HA GLN 107 - HE21 GLN 107 5.07 8 0.08 0.30 + +++ +* + + peak 508 Upper H ARG 108 - HG2 PRO 109 5.19 9 0.12 0.60 + ++ + +* + + + peak 1247 Upper HD2 PRO 109 - QD2 LEU 118 5.16 11 0.11 0.33 ++ +++ +++*++ peak 3939 Upper HB2 PRO 112 - QD1 LEU 362 4.16 19 0.32 0.79 +++++++++++++ +++++* peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.20 1.51 +++++++++*++++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 0.76 1.24 +++++++++*++++++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 17 0.34 0.75 ++++++++++++ ++++ * peak 8268 Upper H GLU 113 - H ALA 116 5.26 7 0.07 0.19 ++ ++ ++ * peak 634 Upper H GLU 113 - QB ALA 116 5.50 8 0.08 0.24 ++ +++ + + * peak 1663 Upper HA GLU 113 - HG3 GLU 113 3.58 8 0.09 0.30 ++ ++ ++ * + peak 1431 Upper HA GLU 113 - QB ALA 116 3.42 15 0.30 0.58 ++ +++++++ * +++++ peak 3842 Upper HG2 GLU 113 - QB ALA 116 5.49 11 0.22 0.78 ++ + +++ ++* + + peak 3838 Upper H ALA 115 - QD1 LEU 118 4.58 6 0.08 0.31 + +* + + + peak 3922 Upper H ALA 116 - HG LEU 118 4.49 10 0.13 0.39 +++++ ++++ * peak 974 Upper HA ALA 116 - HB VAL 119 3.56 11 0.18 0.75 + + + *+++++++ peak 3960 Upper HA ALA 116 - QG2 VAL 119 4.00 15 0.18 0.40 ++++++ + +++++++* peak 1759 Upper H ALA 117 - HB2 ASP 120 5.50 10 0.19 0.52 +* +++ + + + ++ peak 1289 Upper H ALA 117 - HG2 GLU 360 4.89 10 0.26 0.77 + +++ +* ++ ++ peak 1290 Upper HA ALA 117 - H ASP 120 3.79 13 0.12 0.19 ++ +++*+++++ + + peak 625 Upper QB ALA 117 - HB2 ASP 120 4.68 6 0.06 0.24 + +++*+ peak 1490 Upper H LEU 118 - QG2 VAL 119 5.50 11 0.16 0.43 ++++++ + + ++* peak 8191 Upper HB VAL 119 - H ASP 120 4.01 11 0.12 0.29 + + + ++++++*+ peak 3968 Upper H ASP 120 - HB3 ASP 120 3.22 6 0.07 0.26 + +++ +* peak 1494 Upper H ASP 120 - QD ARG 123 5.34 12 0.17 0.63 *+ ++ ++++ + + + + peak 4042 Upper H GLY 121 - HB2 LEU 122 5.14 14 0.13 0.33 *+ +++ ++++++ ++ + peak 1319 Upper QA GLY 121 - HB3 LEU 122 5.50 13 0.10 0.13 + ++ +++++*+++ + peak 3608 Upper H ARG 123 - HG2 ARG 123 3.59 10 0.11 0.28 + + + + +++ *++ peak 1301 Upper HA PRO 340 - HD1 TRP 372 4.52 9 0.11 0.23 + +* + + + +++ peak 51 Upper H ALA 343 - HA TRP 372 5.50 10 0.13 0.39 + + + ++ +++ *+ peak 693 Upper QB ALA 343 - HG LEU 368 4.81 7 0.07 0.28 ++ + * + ++ peak 1528 Upper QB ALA 343 - H TRP 372 4.03 11 0.13 0.45 ++ + +++ * ++++ peak 1652 Upper HG3 ARG 344 - HE1 TRP 372 5.50 18 0.23 0.47 +++++++++ ++*++++ ++ peak 263 Upper H ARG 346 - QD2 LEU 368 5.38 14 0.15 0.30 ++ + ++++++++* ++ peak 668 Upper QB ARG 346 - QD2 LEU 368 3.30 13 0.23 0.49 ++ + +++ ++*++ ++ peak 2505 Upper HB2 PHE 347 - HB3 TRP 372 5.50 19 0.30 0.51 ++++ *++++++++++++++ peak 1976 Upper QD PHE 347 - HB3 CYS 369 5.39 12 0.18 0.45 +* ++ ++++++ ++ peak 2542 Upper QD PHE 347 - QG1 VAL 388 5.50 14 0.24 0.50 +++++++++ ++++* peak 2761 Upper QE PHE 347 - QG2 VAL 388 3.88 10 0.29 0.75 ++ *+ + + ++++ peak 316 Upper HZ PHE 347 - QG2 VAL 388 4.43 6 0.07 0.43 ++ + + + * peak 294 Upper HA ARG 348 - QD ARG 348 4.14 7 0.06 0.25 * ++ ++ + + peak 1185 Upper HB2 PHE 350 - QB ALA 395 5.50 19 0.29 0.61 +++++++++++++++++*+ peak 2012 Upper HB3 PHE 350 - QD1 LEU 368 5.42 20 0.59 0.82 ++*+++++++++++++++++ peak 2498 Upper QD PHE 350 - HB2 GLU 360 4.39 7 0.12 0.60 ++ + + + * + peak 276 QD PHE 350 - HB3 GLN 364 Upper QD PHE 350 - HB2 GLN 364 4.10 6 0.12 0.67 + + *++ + peak 275 Upper QD PHE 350 - QD2 LEU 365 3.32 17 0.16 0.35 +++++ ++++*+ +++++ + peak 281 Upper QD PHE 350 - QD1 LEU 368 3.89 9 0.11 0.33 *+++ + + +++ peak 2510 Upper QD PHE 350 - HA PHE 392 5.47 15 0.31 0.73 ++++ +++++ + ++*+ + peak 3240 Upper QE PHE 350 - H HIS 351 4.38 6 0.05 0.23 + *+ + + + peak 76 Upper QE PHE 350 - HB2 GLN 364 3.86 10 0.14 0.41 +++++ + +*+ + peak 264 Upper QE PHE 350 - QD1 LEU 368 4.92 8 0.12 0.46 *+++ +++ + peak 269 Upper QE PHE 350 - QB ALA 395 3.86 7 0.19 0.76 + + + *++ + peak 1723 Upper H HIS 351 - QB ALA 395 5.50 20 1.21 1.72 ++++++++++++++++++*+ peak 787 Upper HB2 HIS 351 - H TYR 352 4.30 18 0.18 0.25 +++*+++++++++++++ + peak 2058 Upper H TYR 352 - QD TYR 352 3.71 10 0.11 0.26 +++*+ + +++ + peak 62 Upper H TYR 352 - QB ALA 395 4.38 13 0.41 1.00 +++++ ++ ++++ + * peak 1727 Upper H TYR 352 - HB3 PRO 397 5.50 20 0.67 0.98 +++++++++++++++++++* peak 794 Upper QB TYR 352 - HD3 PRO 397 5.50 9 0.09 0.33 + ++ + +* + ++ peak 3382 Upper QD TYR 352 - QB ALA 355 5.49 15 0.19 0.44 + ++*++ + ++++++ ++ peak 247 Upper QD TYR 352 - H ALA 361 5.47 20 0.68 0.86 ++++++++++++++++++*+ peak 870 Upper QD TYR 352 - HG3 PRO 397 5.50 7 0.07 0.22 + +* + +++ peak 3432 Upper QD TYR 352 - HD2 PRO 397 3.20 10 0.17 0.37 + + + + ++ + ++* peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 11 0.15 0.36 * +++ + ++ + +++ peak 241 Upper QE TYR 352 - QG GLU 353 5.50 13 0.12 0.22 * +++++++ + + ++ + peak 2087 Upper QE TYR 352 - QB ALA 355 5.35 14 0.19 0.54 + ++* + + ++++++ ++ peak 235 Upper QE TYR 352 - QG2 THR 356 4.13 13 0.25 0.69 ++++++ ++ ++++ * peak 236 Upper QE TYR 352 - HA PRO 358 3.96 20 0.90 1.32 ++++++++++++++++++*+ peak 46 Upper QE TYR 352 - HB2 PRO 358 4.53 20 0.77 1.11 +++++++++++++*++++++ peak 230 Upper QE TYR 352 - HB3 PRO 358 3.38 19 0.47 0.95 +++++++++++++++++ *+ peak 232 Upper QE TYR 352 - QB ALA 395 4.76 9 0.14 0.36 +++++ + + + * peak 234 Upper QE TYR 352 - QG1 VAL 419 5.45 18 0.32 0.59 +*++++++++++ +++++ + peak 3975 Upper QE TYR 352 - QG2 VAL 419 4.32 6 0.09 0.46 * ++ + ++ peak 8189 Upper QE TYR 352 - QD ARG 423 5.50 18 0.39 0.74 ++++ +++*+++++ +++++ peak 4040 Upper QG GLU 353 - QB ALA 355 4.39 8 0.09 0.23 ++ + + + + + * peak 1710 Upper QG GLU 354 - QD1 ILE 400 4.28 20 0.70 1.07 +++*++++++++++++++++ peak 3876 Upper QB ALA 355 - HB THR 356 3.89 13 0.14 0.42 +++ ++++ * + +++ + peak 8150 Upper HB THR 356 - HB3 GLU 360 4.06 20 0.95 1.26 ++++++++++++++++++*+ peak 2102 Upper HB THR 356 - HG3 GLU 360 4.89 6 0.05 0.25 + + +* + + peak 2105 Upper QG2 THR 356 - HE21 GLN 364 5.07 7 0.12 0.59 + *++ ++ + peak 919 Upper H GLY 357 - HG3 GLU 360 4.75 20 1.15 1.62 +++++++++++++++++++* peak 824 Upper HA PRO 358 - QB ALA 361 3.39 9 0.12 0.31 + ++ + + ++ * + peak 1605 Upper HA PRO 358 - QE PHE 392 5.02 20 0.86 1.12 +++++++++++++*++++++ peak 110 Upper HA PRO 358 - HZ PHE 392 5.46 20 1.18 1.36 +++++++++*++++++++++ peak 116 Upper HB2 PRO 358 - HZ PHE 392 3.63 20 0.31 0.51 +++++++++*++++++++++ peak 168 Upper HB2 PRO 358 - HA ALA 416 4.31 20 1.21 1.81 +++++++++++++*++++++ peak 8259 Upper HB2 PRO 358 - QB ALA 416 4.18 20 0.68 0.94 +++++++++++++++++++* peak 2132 Upper HB2 PRO 358 - QG2 VAL 419 4.11 20 0.61 1.04 +++++++++++++*++++++ peak 2131 Upper HB3 PRO 358 - H LEU 396 3.74 9 0.09 0.25 +++++ + + * + peak 8254 Upper HB3 PRO 358 - QB ALA 416 4.91 20 1.13 1.42 +++++++++++++++++++* peak 8257 Upper HB3 PRO 358 - QG1 VAL 419 4.38 15 0.29 0.67 +++ + *+++++ +++ ++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.05 16 0.32 0.94 +++++++ + +*++++++ peak 2140 Upper HG2 PRO 358 - HZ PHE 392 4.20 7 0.09 0.22 + ++ * + + + peak 169 Upper HG2 PRO 358 - HA ALA 416 3.62 12 0.14 0.67 +++*+ +++++ + + peak 3890 HA ALA 416 - HB VAL 419 Upper HG2 PRO 358 - QB ALA 416 4.15 13 0.14 0.28 *++++ ++++++ + + peak 1621 QB ALA 416 - HB VAL 419 Upper HD2 PRO 358 - QG2 VAL 419 4.55 17 0.36 0.76 +++++++ +++*++++++ peak 2145 Upper HD3 PRO 358 - HE22 GLN 359 5.50 8 0.18 0.95 + + + ++ + * + peak 2162 HD3 PRO 58 - HE22 GLN 359 Upper HD3 PRO 358 - QG2 VAL 419 4.96 20 0.53 0.74 ++++++++++++*+++++++ peak 2156 Upper H GLN 359 - HG2 GLN 359 3.43 20 1.12 1.25 +++++++++*++++++++++ peak 835 Upper H GLN 359 - QD1 LEU 362 3.96 20 1.11 1.67 +++++++++++++*++++++ peak 8308 Upper H GLN 359 - QB ALA 416 4.46 13 0.17 0.64 + +++++++ + +* ++ peak 840 H GLN 59 - QB ALA 416 Upper HA GLN 359 - HB3 LEU 362 4.02 11 0.23 0.69 +++++ + + +*+ + peak 1873 HB3 LEU 362 - HA PRO 412 Upper HA GLN 359 - QB ALA 416 4.20 20 0.92 1.48 +++++++++++++*++++++ peak 2197 Upper HG2 GLN 359 - HE21 GLN 359 3.60 18 0.39 0.47 ++++*+++ ++++ ++++++ peak 829 Upper HE21 GLN 359 - QB ALA 416 4.63 11 0.16 0.53 + + ++ ++ + + + +* peak 850 HE21 GLN 59 - QB ALA 416 Upper HE22 GLN 359 - QB ALA 416 3.81 6 0.15 0.71 + ++ + +* peak 856 Upper H GLU 360 - HG2 GLU 360 3.52 18 0.31 0.48 +++++++++ +++ +*++++ peak 860 H GLU 360 - HG3 GLU 360 Upper HB2 GLU 360 - H ALA 361 3.79 7 0.11 0.53 + + *++ + + peak 2249 Upper HB3 GLU 360 - HE21 GLN 364 4.80 6 0.10 0.49 * +++ + + peak 916 Upper HB3 GLU 360 - HE22 GLN 364 4.44 15 0.45 0.94 ++ +*+ +++++ +++ ++ peak 925 Upper HG2 GLU 360 - H LEU 362 5.50 18 0.80 1.87 +++++++++*++ +++++ + peak 2244 Upper HG3 GLU 360 - HE22 GLN 364 3.84 9 0.13 0.53 *++ + ++++ + peak 923 Upper H LEU 362 - QE PHE 392 4.66 20 0.79 1.05 ++++++++++*+++++++++ peak 187 Upper HA LEU 362 - H PHE 392 4.87 15 0.35 0.65 ++*++++++ +++++ + peak 428 Upper HG LEU 362 - HG3 PRO 412 5.17 14 0.32 1.23 +++ ++++++ +*+++ peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 13 0.30 0.79 ++ ++ + +++ +++* + peak 3840 HG2 GLU 113 - HG LEU 362 Upper QD1 LEU 362 - HB3 PRO 412 3.65 18 0.26 0.53 ++++++++++*+ +++++ + peak 2274 QD1 LEU 362 - HB3 GLU 413 Upper QD1 LEU 362 - H GLU 413 4.66 7 0.12 0.41 * ++++ + + peak 1274 Upper QD1 LEU 362 - H ALA 415 5.50 16 0.16 0.35 ++++ +++++++*+ +++ peak 1288 Upper QD1 LEU 362 - H ALA 417 5.50 20 0.79 1.19 ++++++++++++*+++++++ peak 1299 Upper QD2 LEU 362 - H ALA 363 4.37 6 0.04 0.20 + + + * ++ peak 2311 QD2 LEU 62 - H ALA 363 Upper QD2 LEU 362 - H LEU 365 5.38 6 0.06 0.34 + + + *+ + peak 938 Upper QD2 LEU 362 - HG LEU 365 4.50 9 0.52 1.48 + + *+ + ++ + + peak 2375 Upper QD2 LEU 362 - QD1 LEU 365 3.77 6 0.07 0.28 + + + +* + peak 2261 Upper QD2 LEU 362 - QB ARG 366 3.60 19 0.66 1.25 +++++++++++*+++++++ peak 8209 Upper QD2 LEU 362 - H LEU 389 5.50 20 0.49 0.63 ++++++++++++++++++*+ peak 1133 Upper QD2 LEU 362 - HA LEU 389 4.95 20 0.43 0.75 +++++*++++++++++++++ peak 3177 Upper QD2 LEU 362 - H PHE 392 5.50 15 0.18 0.39 ++++++ ++ ++*++ + + peak 2317 Upper QD2 LEU 362 - HB2 PHE 392 5.18 18 0.38 0.66 +++++++++ ++*++++ ++ peak 3238 Upper QD2 LEU 362 - HA GLU 413 3.44 20 0.98 1.50 ++++++++++++*+++++++ peak 8213 Upper HA ALA 363 - H ARG 366 4.23 12 0.14 0.50 + + ++* +++++++ peak 2319 Upper HA GLN 364 - HE22 GLN 364 5.50 12 0.29 0.74 ++ +++ +++ +++ * peak 394 Upper HG2 GLN 364 - HE21 GLN 364 3.37 6 0.10 0.41 * +++ + + peak 912 Upper QD1 LEU 365 - HG2 PRO 412 5.44 13 0.20 0.52 ++ +* +++++ ++ ++ peak 3790 Upper QD2 LEU 365 - H GLN 391 5.50 16 0.17 0.35 +++++* ++ +++++ +++ peak 1153 Upper QD2 LEU 365 - H PHE 392 4.77 6 0.06 0.21 + + +*+ + peak 1171 Upper QD2 LEU 365 - QB ALA 395 4.59 15 0.29 0.92 + +++ +++ + *++++++ peak 8295 Upper HA ARG 366 - HD3 ARG 366 5.35 7 0.05 0.16 + + + ++* + peak 1292 Upper HA ARG 366 - QG2 VAL 388 3.01 10 0.17 0.56 ++ ++ + * ++++ peak 8234 Upper QB ARG 366 - H GLU 367 3.33 10 0.09 0.24 + + ++ + ++*+ + peak 952 Upper QG ARG 366 - QB GLU 367 3.86 6 0.09 0.45 ++ + + * + peak 2462 Upper QG ARG 366 - HG3 GLU 367 5.50 12 0.25 0.70 + +++* ++++++ + peak 2459 Upper QG ARG 366 - QG1 VAL 388 3.71 16 0.46 1.06 ++++ +++++ +++++ *+ peak 8198 Upper H LEU 368 - QD1 LEU 368 3.74 6 0.08 0.45 + + +* + + peak 971 Upper HB3 CYS 369 - H VAL 388 4.45 20 0.43 0.70 ++*+++++++++++++++++ peak 1116 Upper HG2 ARG 370 - QD1 LEU 384 3.58 8 0.12 0.40 + + + ++ ++* peak 2574 Upper HG3 ARG 370 - H ARG 374 3.29 17 0.23 0.41 ++ +++*++++++ +++++ peak 997 Upper HD2 ARG 370 - H GLN 371 5.50 8 0.11 0.57 + ++ +*+ + + peak 274 Upper HD2 ARG 370 - H ARG 374 5.50 9 0.12 0.32 ++ +* ++ + ++ peak 2606 Upper HD3 ARG 370 - H ARG 374 5.50 18 0.34 0.69 ++++ + ++++*++++++++ peak 2605 Upper H TRP 372 - QD2 LEU 373 5.50 17 0.24 0.45 +++* +++++ +++++++ + peak 1341 Upper HD1 TRP 372 - HB3 LEU 373 5.11 7 0.08 0.20 *+ + + + ++ peak 224 Upper HD1 TRP 372 - QD2 LEU 373 4.78 11 0.11 0.28 +++ ++ + + * + ++ peak 227 Upper HE1 TRP 372 - QD1 LEU 386 5.50 20 0.61 0.81 +++*++++++++++++++++ peak 260 Upper HZ2 TRP 372 - QD1 LEU 386 4.64 16 0.26 0.44 * +++ ++++++++ ++++ peak 3081 Upper HZ2 TRP 372 - HG LEU 387 3.93 18 0.49 1.28 ++++++++++* + ++++++ peak 190 Upper HH2 TRP 372 - HA LEU 387 4.18 8 0.11 0.29 + + + *+ + ++ peak 120 Upper H LEU 373 - QD ARG 374 5.50 6 0.08 0.34 + + ++ * + peak 2669 Upper H LEU 373 - HD3 PRO 375 5.50 18 0.34 0.59 +*+++++++++ ++++++ + peak 2703 Upper HB2 LEU 373 - H MET 383 5.50 20 0.33 0.58 +++++++*++++++++++++ peak 1076 Upper HB3 LEU 373 - HG2 MET 383 5.50 18 0.28 0.53 + * ++++++++++++++++ peak 2961 Upper HG LEU 373 - QD2 LEU 387 3.68 6 0.04 0.14 + + *+ ++ peak 8229 Upper QD1 LEU 373 - H MET 383 5.50 18 0.48 0.75 ++++ +*+++ +++++++++ peak 1073 Upper QD1 LEU 373 - QB LEU 384 4.65 8 0.06 0.20 +* ++ + + + + peak 2939 Upper QD1 LEU 373 - HG LEU 384 3.89 17 0.47 0.91 ++*+ +++++ ++++++++ peak 2993 Upper QD2 LEU 373 - H LEU 386 4.12 17 0.19 0.34 +++ +*+++ +++++++ ++ peak 1101 Upper QD2 LEU 373 - HA LEU 386 5.50 16 0.19 0.37 +++ +++* ++++ +++++ peak 1785 Upper QB PRO 375 - HB2 LYS 380 3.63 6 0.06 0.34 ++ +* + + peak 2696 Upper HD2 PRO 375 - H VAL 377 5.50 6 0.06 0.17 ++ + + * + peak 304 Upper HD2 PRO 375 - QG2 VAL 377 5.50 17 0.25 0.40 +++++ + *++++ ++++++ peak 1735 Upper HD2 PRO 375 - QD1 LEU 384 4.15 15 0.23 0.94 +++ +++*+ ++ +++ ++ peak 2683 Upper H GLU 376 - QG1 VAL 377 5.12 8 0.25 0.67 ++ + * + + ++ peak 2770 Upper H GLU 376 - QD1 LEU 384 5.50 20 0.45 0.91 +++++++*++++++++++++ peak 1008 Upper QB GLU 376 - QG2 VAL 377 4.28 7 0.08 0.38 ++ + + + + * peak 1731 Upper HG2 GLU 376 - QG1 VAL 377 3.10 8 0.50 1.36 ++ + + + + +* peak 2779 Upper HD2 ARG 378 - H MET 383 5.50 17 0.15 0.24 +++++ + +*+++++++++ peak 1067 Upper HD3 ARG 378 - HA MET 383 5.50 14 0.14 0.25 + +++ ++ *+++++++ peak 2812 Upper H GLU 381 - QD1 LEU 384 5.50 8 0.09 0.27 ++ * + + +++ peak 1046 Upper HG2 MET 383 - QD1 LEU 384 5.19 7 0.06 0.26 ++ + * + ++ peak 2948 Upper HA LEU 384 - QD2 LEU 387 4.07 6 0.08 0.18 +* + + + + peak 3124 Upper QB LEU 384 - QD1 LEU 387 3.12 15 0.31 1.38 +++++++++ *+ + + ++ peak 3117 Upper QB LEU 384 - QG1 VAL 388 4.67 6 0.08 0.27 ++ + *++ peak 2998 Upper HG LEU 384 - H GLU 385 4.14 11 0.48 0.91 ++ *++ + ++ + + + peak 3021 Upper QD1 LEU 384 - H LEU 386 5.14 8 0.05 0.18 +* + + + +++ peak 3023 Upper H GLU 385 - HG2 GLU 385 3.96 10 0.13 0.45 + +* + + + + +++ peak 1085 Upper HG LEU 387 - H VAL 388 4.25 17 0.21 0.39 ++++ ++*++ ++++++++ peak 1118 Upper HB VAL 388 - H LEU 389 3.24 10 0.42 0.89 ++ ++ + * ++++ peak 1130 Upper QG2 VAL 388 - HG3 PRO 412 4.28 10 0.47 1.21 + +++* ++ ++ + peak 3778 Upper H LEU 389 - HB2 PHE 392 5.50 19 0.31 0.67 ++++++++++++*++++++ peak 473 Upper H LEU 389 - HG3 PRO 412 5.50 18 0.28 0.48 +++++ ++++++++*++++ peak 3813 Upper QD1 LEU 389 - HD2 PRO 412 5.50 9 0.14 0.49 + ++ * ++ ++ + peak 3775 Upper QD2 LEU 389 - HA PRO 412 3.38 13 0.19 0.47 + *+++ +++ ++ +++ peak 3744 Upper QD2 LEU 389 - QB ALA 415 2.89 10 0.21 0.70 + +*++ ++ ++ + peak 1680 Upper HE22 GLN 391 - QB ALA 395 5.12 8 0.11 0.37 + + +++* ++ peak 1719 Upper H PHE 392 - H ALA 395 5.50 9 0.10 0.33 ++ ++*+++ + peak 426 Upper H PHE 392 - QB ALA 395 5.50 11 0.13 0.40 + +++ + ++ * +++ peak 1728 Upper QE PHE 392 - QD2 LEU 393 3.36 16 0.36 1.05 ++++++++++++*+ ++ peak 164 Upper HZ PHE 392 - QD2 LEU 396 4.18 15 0.20 0.63 ++++++ + ++*+ ++++ peak 183 Upper HZ PHE 392 - QB ALA 415 4.21 8 0.12 0.64 + ++ ++* ++ peak 178 Upper HZ PHE 392 - HB VAL 419 4.66 11 0.14 0.60 +++*+ ++++ + + peak 3966 Upper HZ PHE 392 - QG2 VAL 419 4.46 11 0.13 0.41 +++ + *+ + ++++ peak 181 Upper H LEU 393 - QD1 LEU 396 5.38 7 0.13 0.54 +++ *++ + peak 768 Upper HA LEU 393 - HG LEU 396 4.26 14 0.47 1.24 + +++++++ * ++++ + peak 3330 Upper QD1 LEU 393 - H ALA 415 5.50 14 0.33 0.98 +++ +++ ++ ++++ +* peak 3299 Upper H GLY 394 - QD1 LEU 396 5.17 11 0.16 0.41 ++++ +*++ +++ peak 1181 Upper H LEU 396 - HB3 LEU 396 3.77 11 0.10 0.27 +++++ +*++ + + peak 1187 Upper H LEU 396 - QD2 LEU 396 3.75 12 0.14 0.29 +++++ + ++*+ + + peak 3347 Upper H LEU 396 - HA GLN 401 5.50 12 0.15 0.36 + ++ + ++*+ ++++ peak 3521 Upper HA LEU 396 - H GLN 401 5.50 9 0.11 0.29 ++++* + + + + peak 3367 Upper HB3 LEU 396 - HA GLN 401 5.50 10 0.11 0.30 ++*++ + + + + + peak 3335 Upper HG LEU 396 - QG1 VAL 419 3.85 7 0.22 0.67 *+ + + + + + peak 3952 Upper QD1 LEU 396 - H ILE 400 4.83 6 0.07 0.29 + +++ + * peak 234 QD1 LEU 396 - H ARG 403 Upper QD1 LEU 396 - HG12 ILE 400 5.49 6 0.12 0.45 + +++ + * peak 3468 Upper QD1 LEU 396 - HG13 ILE 400 5.50 6 0.07 0.31 + +++ + * peak 3470 Upper QD1 LEU 396 - H ALA 402 5.49 6 0.08 0.35 + +++ + * peak 1212 Upper QD1 LEU 396 - HA VAL 404 5.50 12 0.20 0.46 ++++++ ++ +*++ peak 3590 Upper QD1 LEU 396 - H GLN 405 5.50 7 0.10 0.37 + + ++*+ + peak 3359 Upper QD2 LEU 396 - HG2 PRO 397 5.50 6 0.05 0.26 + *++ + + peak 3411 Upper QD2 LEU 396 - HG3 PRO 397 5.50 20 0.26 0.42 ++++++*+++++++++++++ peak 3410 Upper QD2 LEU 396 - H ILE 400 5.50 9 0.19 0.52 + ++* + ++ + + peak 284 Upper QD2 LEU 396 - H GLN 401 5.08 16 0.17 0.41 ++++++++*+++ ++++ peak 1141 Upper QD2 LEU 396 - HA GLN 401 4.97 17 0.26 0.49 ++++++++++*+ ++++ + peak 1752 Upper QD2 LEU 396 - HE21 GLN 401 5.50 18 0.32 0.52 ++*++++ +++++++++++ peak 1202 Upper QD2 LEU 396 - QQG VAL 404 4.19 14 0.15 0.33 *++++++ + ++ ++++ peak 3592 Upper QD2 LEU 396 - H VAL 419 5.05 11 0.15 0.35 +++ ++* + +++ + peak 1315 Upper QB GLU 399 - HG12 ILE 400 3.63 18 0.27 0.56 ++ + +*+++++++++++++ peak 3476 Upper QG GLU 399 - HG12 ILE 400 4.60 17 0.14 0.20 ++*+++ ++ ++++++ +++ peak 2230 Upper HA ILE 400 - H VAL 404 4.85 9 0.12 0.56 + + + + +++ +* peak 737 Upper HB ILE 400 - HG3 GLN 401 3.89 8 0.08 0.17 *+ + + + + + + peak 3456 Upper QG2 ILE 400 - HG3 GLN 401 3.51 20 0.65 0.80 +++*++++++++++++++++ peak 1612 Upper QG2 ILE 400 - QG1 VAL 419 3.07 18 0.67 1.02 *+++++++++++++++ ++ peak 1610 Upper QD1 ILE 400 - HA VAL 419 5.50 10 0.09 0.31 + ++ + ++ +*++ peak 2730 Upper QD1 ILE 400 - HA ARG 423 5.50 14 0.25 0.61 +++++*+ + + ++++ + peak 3484 Upper QD1 ILE 400 - QB ARG 423 3.97 8 0.09 0.36 ++ ++* + ++ peak 4039 QD2 LEU 422 - QB ARG 423 Upper HG3 GLN 401 - H ALA 402 4.67 8 0.09 0.20 + ++ ++++ * peak 4104 Upper HA ALA 402 - QG GLN 405 4.00 16 0.19 0.42 +++ +++ ++++++*++ + peak 4095 Upper QQG VAL 404 - QB ALA 415 3.16 11 0.17 0.64 + ++ +++++++ * peak 1681 Upper HA GLN 405 - H ARG 408 5.31 18 0.46 0.64 ++++++++ *++++++++ + peak 500 Upper H GLN 407 - H ARG 408 3.50 18 0.28 0.44 ++++++++ *++++++++ + peak 491 Upper HA GLN 407 - HE21 GLN 407 5.07 11 0.11 0.41 + + + ++ ++++ + * peak 508 Upper H ARG 408 - HG2 PRO 409 5.19 13 0.17 0.34 +++++ +++++++* peak 1247 Upper H ARG 408 - HD2 PRO 409 3.91 6 0.06 0.17 + + +++ * peak 501 Upper HA PRO 409 - HG3 GLU 414 5.50 8 0.08 0.25 + ++++ + +* peak 3862 Upper HD2 PRO 409 - QD2 LEU 418 5.16 14 0.17 0.39 ++++ ++++* ++ ++ + peak 3939 Upper HB2 PRO 412 - H GLU 414 5.50 9 0.10 0.38 ++ ++ ++ *+ + peak 3807 Upper H ALA 415 - QD1 LEU 418 4.58 11 0.13 0.47 + + ++ +*+++++ peak 3922 Upper H ALA 416 - HG LEU 418 4.49 11 0.12 0.26 ++++++ + +*+ + peak 974 Upper HA ALA 416 - HB VAL 419 3.56 14 0.22 0.86 +++*+ ++++++ ++ + peak 3960 Upper HA ALA 416 - QG2 VAL 419 4.00 15 0.20 0.37 *++ + ++++++ ++++ + peak 1759 Upper H ALA 417 - HB2 ASP 420 5.50 9 0.16 0.55 + *+ +++ + ++ peak 1289 Upper HA ALA 417 - H ASP 420 3.79 16 0.12 0.19 ++ ++++++++ *+++++ peak 625 Upper H LEU 418 - QG2 VAL 419 5.50 12 0.13 0.33 + +++ + ++ ++++* peak 8191 Upper HB VAL 419 - H ASP 420 4.01 14 0.13 0.25 +++++ ++*+++ ++ + peak 3968 Upper H ASP 420 - HB3 ASP 420 3.22 9 0.10 0.29 +++ + * ++ ++ peak 1494 Upper H ASP 420 - QD ARG 423 5.34 10 0.10 0.39 ++ * ++ + +++ + peak 4042 Upper H GLY 421 - HB2 LEU 422 5.14 14 0.13 0.25 +++ *+ + ++++++++ peak 1319 Upper QA GLY 421 - HB3 LEU 422 5.50 16 0.11 0.13 +++ ++++ ++*++++++ peak 3608 VdW CG PHE 47 - C PHE 47 2.90 12 0.20 0.23 ++++ +++ ++ * ++ VdW CE1 PHE 47 - SG CYS 69 3.40 6 0.12 0.42 + + +++ * VdW CZ PHE 47 - CB LEU 87 3.20 7 0.18 0.30 + +*+ + + + VdW CZ PHE 47 - HB2 GLN 91 2.60 9 0.19 0.37 ++ +++ + +*+ VdW HZ PHE 47 - CB LEU 87 2.60 10 0.20 0.33 ++ +*+ + ++ + + VdW HA ARG 48 - CD GLN 91 2.50 6 0.12 0.40 + + + +* + VdW HA ARG 48 - OE1 GLN 91 2.30 16 0.29 0.44 ++++ ++*++++ ++++ + VdW CG PHE 50 - CB ALA 61 3.20 8 0.14 0.25 ++ +* + ++ + VdW CG PHE 50 - HB2 ALA 61 2.60 8 0.15 0.45 + + + + +++ * VdW CD1 PHE 50 - CB ALA 61 3.20 10 0.20 0.54 + ++ + + ++++* VdW CD1 PHE 50 - HB3 ALA 61 2.60 7 0.11 0.34 + + * + + ++ VdW CZ PHE 50 - N ALA 61 3.05 10 0.20 0.35 ++ ++ ++ + +*+ VdW HZ PHE 50 - CB GLU 60 2.60 14 0.24 0.53 +++ +++ *+++ ++++ VdW HZ PHE 50 - HB3 GLU 60 2.00 11 0.25 0.55 + +++++++ ++* VdW HZ PHE 50 - CG GLU 60 2.60 10 0.22 0.41 ++ + *+ +++ + + VdW HZ PHE 50 - CD GLU 60 2.50 6 0.14 0.54 +*+ + ++ VdW CD2 PHE 50 - CB ALA 61 3.20 10 0.19 0.49 +++ +++ * ++ + VdW CD2 PHE 50 - HB2 ALA 61 2.60 7 0.11 0.45 + + + + + + * VdW CB TYR 52 - HA PRO 58 2.60 10 0.21 0.42 *++ ++ + + ++ + VdW CB TYR 52 - O ALA 95 2.90 9 0.25 0.73 + + + + + +++* VdW HB2 TYR 52 - C GLY 57 2.50 15 0.24 0.40 +*++++++++ + ++++ VdW HB2 TYR 52 - O GLY 57 2.30 11 0.26 0.52 +++ +*+ ++++ + VdW HB2 TYR 52 - CA PRO 58 2.60 16 0.25 0.49 +++ +++++*++ ++++ + VdW HB2 TYR 52 - HA PRO 58 2.00 17 0.31 0.56 +++++++++*++ ++++ + VdW HB3 TYR 52 - O ALA 95 2.30 17 0.41 0.76 +++++++++ +++++++* VdW CG TYR 52 - C TYR 52 2.90 20 0.23 0.24 +*++++++++++++++++++ VdW CG TYR 52 - C GLY 57 3.10 7 0.17 0.39 ++ + ++* + VdW CG TYR 52 - N PRO 58 3.05 9 0.22 0.38 +++ +*+ + + + VdW CG TYR 52 - O ALA 95 2.90 8 0.14 0.35 + * + + + + ++ VdW CD1 TYR 52 - C TYR 52 3.10 11 0.19 0.43 + + + ++++ + + *+ VdW CD1 TYR 52 - CA GLY 57 3.20 11 0.38 0.75 + + + ++*+ + + ++ VdW CD1 TYR 52 - HA2 GLY 57 2.60 11 0.37 0.85 + + + ++++ + * ++ VdW CD1 TYR 52 - C GLY 57 3.10 11 0.22 0.58 + + + ++++ * + ++ VdW HD1 TYR 52 - N GLY 57 2.45 11 0.23 0.51 + + + *+++ + + ++ VdW HD1 TYR 52 - H GLY 57 1.95 7 0.14 0.38 + + + + *+ + VdW HD1 TYR 52 - CA GLY 57 2.60 9 0.27 0.68 + + + +*++ + + VdW HD1 TYR 52 - CA LEU 96 2.60 7 0.13 0.38 +* + + + + + VdW HD1 TYR 52 - HA LEU 96 2.00 9 0.20 0.49 + ++ + + + + +* VdW CE1 TYR 52 - CA GLY 57 3.20 7 0.15 0.53 + + + + + + * VdW CE1 TYR 52 - HA2 GLY 57 2.60 11 0.35 0.76 + + + ++++ * + ++ VdW CE1 TYR 52 - HD3 PRO 58 2.60 8 0.14 0.32 *+ + + + + + + VdW HE1 TYR 52 - OH TYR 352 2.30 9 0.18 0.55 + + ++++ + + * VdW CZ TYR 52 - HD3 PRO 58 2.60 8 0.14 0.31 +++ +*+ + + VdW CE2 TYR 52 - CA GLY 57 3.20 6 0.11 0.50 ++ + * + + VdW CE2 TYR 52 - HA2 GLY 57 2.60 9 0.28 0.78 + ++ + + * + ++ VdW HE2 TYR 52 - OH TYR 352 2.30 9 0.19 0.56 + ++ + + + * ++ VdW CD2 TYR 52 - C TYR 52 3.10 9 0.17 0.43 + ++ + + + + +* VdW CD2 TYR 52 - CA GLY 57 3.20 9 0.31 0.74 + ++ + + * + ++ VdW CD2 TYR 52 - HA2 GLY 57 2.60 9 0.32 0.91 + ++ + + + + +* VdW CD2 TYR 52 - C GLY 57 3.10 9 0.16 0.47 + +* + + + + ++ VdW CD2 TYR 52 - O ALA 95 2.90 6 0.16 0.71 + +++ + * VdW HD2 TYR 52 - N GLY 57 2.45 9 0.20 0.53 + ++ + + + * ++ VdW HD2 TYR 52 - H GLY 57 1.95 8 0.14 0.42 + ++ * + + + + VdW HD2 TYR 52 - CA GLY 57 2.60 9 0.21 0.66 + ++ + + + + *+ VdW HD2 TYR 52 - O ALA 95 2.30 7 0.17 0.60 + + +++ + * VdW HD2 TYR 52 - CA LEU 96 2.60 10 0.17 0.39 + + * ++++ + + + VdW HD2 TYR 52 - HA LEU 96 2.00 11 0.23 0.52 + + * ++++ + + ++ VdW OH TYR 52 - HE1 TYR 352 2.30 6 0.15 0.55 + + + *+ + VdW OH TYR 52 - HE2 TYR 352 2.30 13 0.27 0.55 ++++++++ ++ +* + VdW C GLU 53 - N ALA 55 2.95 20 0.29 0.38 +++++++++++++++++*++ VdW C GLU 53 - H ALA 55 2.45 20 0.37 0.53 +++++++++++++++++*++ VdW O GLU 53 - N ALA 55 2.75 20 0.31 0.49 +++++++++++++++++*++ VdW O GLU 53 - N GLY 57 2.75 8 0.17 0.25 +++ +*+++ VdW O ALA 55 - CD1 ILE 400 2.90 8 0.18 0.41 + +* ++ +++ VdW O ALA 55 - HD12 ILE 400 2.30 6 0.08 0.26 * ++ ++ + VdW CG2 THR 56 - C THR 56 2.90 19 0.29 0.32 ++*+++ +++++++++++++ VdW CA GLY 57 - CD PRO 358 3.20 20 0.55 0.67 ++++++++++++++++++*+ VdW CA GLY 57 - CG PRO 358 3.20 14 0.25 0.40 +++++ +++ *+ + + ++ VdW CA GLY 57 - HD2 PRO 358 2.60 16 0.24 0.38 +*++++ +++ + ++++++ VdW HA3 GLY 57 - CD PRO 358 2.60 20 0.53 0.69 ++++++++++++++++++*+ VdW HA3 GLY 57 - CG PRO 358 2.60 20 0.49 0.63 +++++++++++*++++++++ VdW HA3 GLY 57 - HG3 PRO 358 2.00 19 0.41 0.62 +++++++++++*+++++ ++ VdW HA3 GLY 57 - HD3 PRO 358 2.00 10 0.18 0.40 +++ + + +++ +* VdW N PRO 58 - CD PRO 358 3.05 18 0.33 0.42 +++++++++ *++++++++ VdW N PRO 58 - HD2 PRO 358 2.45 20 0.68 0.77 ++++++++++*+++++++++ VdW CD PRO 58 - CA GLY 357 3.20 20 0.57 0.70 +++++++++++++++++*++ VdW CD PRO 58 - HA3 GLY 357 2.60 20 0.58 0.76 +++++++++++++++++*++ VdW CD PRO 58 - N PRO 358 3.05 20 0.37 0.45 +*++++++++++++++++++ VdW CD PRO 58 - CD PRO 358 3.20 20 1.18 1.25 ++++++++++*+++++++++ VdW CD PRO 58 - CG PRO 358 3.20 11 0.19 0.32 +++++ + +* + + + VdW CD PRO 58 - HD2 PRO 358 2.60 20 1.60 1.68 ++++++++++*+++++++++ VdW CA PRO 58 - CB ALA 95 3.20 13 0.24 0.58 +++++ + ++++++ * VdW CA PRO 58 - HB1 ALA 95 2.60 8 0.16 0.68 ++ + ++ *+ + VdW CB PRO 58 - CB ALA 95 3.20 20 0.79 0.90 +++++++++++*++++++++ VdW CB PRO 58 - HB1 ALA 95 2.60 12 0.29 0.77 +++*+++++ ++ + VdW CB PRO 58 - HB2 ALA 95 2.60 10 0.31 0.82 ++* +++ + ++ + VdW CB PRO 58 - HB3 ALA 95 2.60 17 0.50 0.93 +++++ ++++++++++*+ VdW CB PRO 58 - O ALA 95 2.90 9 0.21 0.61 + + +++ +*++ VdW CB PRO 58 - HB2 GLN 359 2.60 19 0.29 0.56 +++++++++++++ +++++* VdW HB2 PRO 58 - CB ALA 95 2.60 20 0.63 0.89 +++++++++*++++++++++ VdW HB2 PRO 58 - HB1 ALA 95 2.00 7 0.18 0.63 + +*++ + + VdW HB2 PRO 58 - HB2 ALA 95 2.00 9 0.18 0.54 *++ +++ + ++ VdW HB2 PRO 58 - HB3 ALA 95 2.00 14 0.34 0.71 +* ++ ++++ +++++ + VdW HB2 PRO 58 - CB GLN 359 2.60 17 0.33 0.54 ++++++ +++++ +++++* VdW HB2 PRO 58 - HB2 GLN 359 2.00 19 0.30 0.57 +++++++++++++ ++++*+ VdW HB3 PRO 58 - CB ALA 95 2.60 16 0.36 0.68 ++++ ++*++++ +++++ VdW HB3 PRO 58 - HB3 ALA 95 2.00 8 0.20 0.83 *+ + ++ + ++ VdW HB3 PRO 58 - C ALA 95 2.50 9 0.20 0.52 + +*+ ++++ + VdW HB3 PRO 58 - O ALA 95 2.30 11 0.36 0.97 + + +++ + +*++ + VdW CG PRO 58 - CA GLY 357 3.20 16 0.27 0.39 *++++ +++++ ++++++ VdW CG PRO 58 - HA3 GLY 357 2.60 20 0.51 0.64 +++++++++++++++++*++ VdW CG PRO 58 - CD PRO 358 3.20 6 0.18 0.31 + * + + ++ VdW CG PRO 58 - HD2 PRO 358 2.60 19 0.35 0.53 ++++++*++++++++++++ VdW HG2 PRO 58 - N GLN 359 2.45 20 0.46 0.56 +++++++++++*++++++++ VdW HG2 PRO 58 - H GLN 359 1.95 20 0.47 0.61 +++++++++++++*++++++ VdW HG3 PRO 58 - HA3 GLY 357 2.00 20 0.42 0.61 ++++++*+++++++++++++ VdW HD2 PRO 58 - CA GLY 357 2.60 13 0.21 0.33 + +++ +++ + +* + ++ VdW HD2 PRO 58 - N PRO 358 2.45 20 0.70 0.78 +*++++++++++++++++++ VdW HD2 PRO 58 - CD PRO 358 2.60 20 1.61 1.68 ++++++++++*+++++++++ VdW HD2 PRO 58 - CG PRO 358 2.60 20 0.39 0.56 +++++++++++*++++++++ VdW HD2 PRO 58 - HD2 PRO 358 2.00 20 1.55 1.59 ++++++*+++++++++++++ VdW HD2 PRO 58 - HD3 PRO 358 2.00 14 0.25 0.41 + +++ *++ + ++++ ++ VdW HD3 PRO 58 - CA GLY 357 2.60 12 0.22 0.35 +*++ ++++ ++++ VdW HD3 PRO 58 - HA3 GLY 357 2.00 17 0.29 0.54 +*++++ +++++ ++++++ VdW HD3 PRO 58 - HD2 PRO 358 2.00 17 0.28 0.44 +++++++++++* +++ ++ VdW C PRO 58 - CB GLN 359 3.10 7 0.16 0.35 * + ++ + + + VdW C PRO 58 - HB2 GLN 359 2.50 17 0.53 0.79 +*++++++++++ ++++ + VdW C PRO 58 - NE2 GLN 359 2.95 10 0.17 0.39 + + ++ ++ + + + * VdW O PRO 58 - NE2 GLN 359 2.75 20 0.80 0.96 ++++++++*+++++++++++ VdW N GLN 59 - HG2 PRO 358 2.45 19 0.39 0.55 +++++++++ +++*++++++ VdW N GLN 59 - N GLN 359 2.90 20 0.39 0.49 ++++++++++*+++++++++ VdW N GLN 59 - CA GLN 359 3.05 9 0.18 0.29 + ++ + ++ + +* VdW N GLN 59 - CB GLN 359 3.05 19 0.46 0.60 +++++++++++*+ ++++++ VdW N GLN 59 - HB2 GLN 359 2.45 19 0.66 0.85 +++++++++++*+ ++++++ VdW H GLN 59 - HG2 PRO 358 1.95 20 0.47 0.54 +++++++++++++*++++++ VdW H GLN 59 - H GLN 359 1.90 20 0.85 0.99 ++++++++++*+++++++++ VdW CA GLN 59 - CA GLN 359 3.20 19 0.31 0.38 ++++++++*++++ ++++++ VdW CA GLN 59 - CB GLN 359 3.20 18 0.27 0.37 ++++*++++++++ ++++ + VdW CA GLN 59 - HG3 GLN 359 2.60 7 0.15 0.34 + ++ + + *+ VdW HA GLN 59 - CB GLN 359 2.60 13 0.22 0.30 ++ +* + + +++ ++++ VdW HA GLN 59 - CG GLN 359 2.60 19 0.48 0.57 +++++++++++++ *+++++ VdW HA GLN 59 - HG3 GLN 359 2.00 18 0.54 0.78 ++++++++ ++++ ++++*+ VdW CB GLN 59 - HB2 PRO 358 2.60 15 0.25 0.52 + +++ +++ + +*++ +++ VdW CB GLN 59 - N GLN 359 3.05 19 0.42 0.55 +++++++++ *+++++++++ VdW CB GLN 59 - CA GLN 359 3.20 16 0.26 0.36 ++++*++++ +++ +++ + VdW CB GLN 59 - HA GLN 359 2.60 15 0.23 0.37 ++++++++++++ + + * VdW CB GLN 59 - CZ PHE 392 3.20 13 0.25 0.41 +++ + +++++ +++ * VdW HB2 GLN 59 - CB PRO 358 2.60 13 0.27 0.46 + ++ +++ + +*++ + + VdW HB2 GLN 59 - HB2 PRO 358 2.00 18 0.31 0.47 +++++++++ ++ ++++*++ VdW HB2 GLN 59 - C PRO 358 2.50 18 0.42 0.74 + +++++++ ++*+++++++ VdW HB2 GLN 59 - N GLN 359 2.45 20 0.62 0.84 ++++++++++++*+++++++ VdW HB3 GLN 59 - CZ PHE 392 2.60 18 0.46 0.66 +*++++++++++ ++++++ VdW CG GLN 59 - CA GLN 359 3.20 8 0.17 0.32 + + + + +*++ VdW CG GLN 59 - HA GLN 359 2.60 19 0.50 0.64 +++++++++++++ +*++++ VdW CG GLN 59 - CE1 PHE 392 3.20 9 0.21 0.61 + ++ ++ * ++ + VdW CG GLN 59 - CE2 PHE 392 3.20 11 0.29 0.64 + ++ ++++ ++ + * VdW HG2 GLN 59 - CD1 PHE 392 2.60 8 0.19 0.61 * ++ ++ ++ + VdW HG2 GLN 59 - CE1 PHE 392 2.60 8 0.34 0.90 + ++ ++ *+ + VdW HG2 GLN 59 - CE2 PHE 392 2.60 11 0.43 0.97 + ++ +*++ ++ + + VdW HG2 GLN 59 - CD2 PHE 392 2.60 11 0.25 0.53 + *+ ++++ ++ + + VdW HG3 GLN 59 - CA GLN 359 2.60 9 0.20 0.44 + + + + +*+++ VdW HG3 GLN 59 - HA GLN 359 2.00 16 0.57 0.91 ++++++++++ + +*+++ VdW OE1 GLN 59 - CG PHE 392 2.90 13 0.25 0.46 ++++*++++ + + + + VdW OE1 GLN 59 - CD1 PHE 392 2.90 7 0.13 0.33 + ++ ++ +* VdW OE1 GLN 59 - CD2 PHE 392 2.90 6 0.11 0.31 + + ++ +* VdW NE2 GLN 59 - C PRO 358 2.95 18 0.28 0.48 ++++++ ++++++ +++++* VdW NE2 GLN 59 - O PRO 358 2.75 20 0.85 0.96 ++++++++++++*+++++++ VdW NE2 GLN 59 - CB ALA 361 3.05 8 0.17 0.36 + ++++ + *+ VdW NE2 GLN 59 - N LEU 362 2.90 6 0.18 0.47 + + * +++ VdW HE22 GLN 59 - CB ALA 361 2.55 20 0.48 0.61 ++++++*+++++++++++++ VdW HE22 GLN 59 - HB1 ALA 361 1.95 7 0.13 0.37 + +++*+ + VdW HE22 GLN 59 - HB3 ALA 361 1.95 7 0.12 0.36 + *+ ++ + + VdW HE22 GLN 59 - H LEU 362 1.90 6 0.11 0.40 + *+ +++ VdW C GLN 59 - HB3 ALA 416 2.50 6 0.09 0.34 + * + ++ + VdW O GLN 59 - CB ALA 416 2.90 11 0.23 0.45 + ++*+ +++ ++ + VdW O GLN 59 - HB3 ALA 416 2.30 7 0.11 0.42 ++ + + ++ * VdW CA GLU 60 - CB ALA 416 3.20 14 0.22 0.31 + + ++++++* ++ +++ VdW HA GLU 60 - CB ALA 416 2.60 20 0.46 0.63 ++++++++*+++++++++++ VdW HA GLU 60 - HB2 ALA 416 2.00 8 0.17 0.71 + + + +++ * + VdW HG3 GLU 60 - C GLU 60 2.50 7 0.16 0.45 ++ + ++ + * VdW HG3 GLU 60 - O GLU 60 2.30 7 0.13 0.43 + + ++ ++* VdW CD GLU 60 - CB ASP 420 3.10 6 0.15 0.32 + ++ + * + VdW OE2 GLU 60 - NE2 GLN 64 2.75 7 0.13 0.39 ++ * + + + + VdW O GLU 60 - CG GLN 64 2.90 6 0.11 0.41 + + *+ ++ VdW CB ALA 61 - NE2 GLN 359 3.05 13 0.22 0.46 + ++++ + ++ ++++ * VdW CB ALA 61 - HE22 GLN 359 2.55 19 0.54 0.78 +++++++++++++ +*++++ VdW HB1 ALA 61 - HE22 GLN 359 1.95 10 0.19 0.47 ++ ++ + + + + +* VdW HB3 ALA 61 - HE22 GLN 359 1.95 12 0.19 0.48 + + ++++ ++ +* + + VdW C ALA 61 - N ALA 63 2.95 16 0.25 0.34 +++++++++ +++ + ++ * VdW C ALA 61 - H ALA 63 2.45 6 0.15 0.27 + + +++ * VdW C ALA 61 - HG LEU 65 2.50 11 0.20 0.51 ++++ ++ ++* + + VdW O ALA 61 - C LEU 62 2.80 18 0.27 0.36 ++++++++++++++ +++* VdW O ALA 61 - N ALA 63 2.75 20 0.38 0.60 +++++++++++++++++++* VdW O ALA 61 - N GLN 64 2.75 15 0.29 0.54 ++++ +++ ++++ +++* VdW O ALA 61 - HG LEU 65 2.30 9 0.17 0.41 +* ++ +++ + + VdW N LEU 62 - NE2 GLN 359 2.90 9 0.16 0.38 ++ + + ++* ++ VdW H LEU 62 - HE21 GLN 359 1.90 8 0.16 0.34 ++ + * +++ + VdW H LEU 62 - HE22 GLN 359 1.90 6 0.12 0.51 + + *+ ++ VdW HA LEU 62 - CD2 LEU 65 2.60 6 0.10 0.36 + + * ++ + VdW CB LEU 62 - HD13 LEU 362 2.60 6 0.10 0.42 ++++* + VdW CD1 LEU 62 - CD1 LEU 362 3.20 12 0.33 0.58 +++++++++ *+ + VdW CD1 LEU 62 - HD11 LEU 362 2.60 7 0.14 0.41 ++ ++ +* + VdW CD1 LEU 62 - HD12 LEU 362 2.60 6 0.11 0.43 *+ + ++ + VdW CD1 LEU 62 - HD13 LEU 362 2.60 6 0.13 0.53 ++*+ ++ VdW HD11 LEU 62 - CD1 LEU 362 2.60 6 0.14 0.47 + ++ * + + VdW HD13 LEU 62 - CD1 LEU 362 2.60 8 0.14 0.46 + ++ * ++ + + VdW CA ALA 63 - O GLU 413 2.90 11 0.20 0.46 + ++*++ + ++++ VdW HA ALA 63 - HA GLU 413 2.00 7 0.10 0.38 + +++ +* + VdW HA ALA 63 - HB3 GLU 413 2.00 6 0.12 0.39 ++ + * + + VdW HA ALA 63 - O GLU 413 2.30 7 0.15 0.44 + +*++ ++ VdW CB ALA 63 - O GLU 413 2.90 17 0.48 0.71 ++++*+++++++ ++++ + VdW CB ALA 63 - CB ALA 416 3.20 14 0.27 0.46 + +++++ + ++++++* VdW HB1 ALA 63 - O GLU 413 2.30 8 0.17 0.62 + + * + ++ ++ VdW HB2 ALA 63 - O GLU 413 2.30 6 0.11 0.54 + + + + * + VdW HB2 ALA 63 - CB ALA 416 2.60 6 0.14 0.46 + ++ + + * VdW HB3 ALA 63 - O GLU 413 2.30 7 0.15 0.66 ++ ++ * + + VdW N GLN 64 - CG GLN 64 2.85 6 0.18 0.21 ++ +*+ + VdW N GLN 64 - HG2 GLN 64 2.45 7 0.17 0.43 ++ + + + * + VdW H GLN 64 - CG GLN 64 2.55 18 0.28 0.40 +++++++ ++++++*++++ VdW H GLN 64 - HG2 GLN 64 1.95 7 0.15 0.65 ++ + ++* + VdW O GLN 64 - N LEU 68 2.75 8 0.21 0.47 +* + + +++ + VdW O GLN 64 - HB2 LEU 68 2.30 6 0.13 0.46 + * + +++ VdW HG LEU 65 - HG3 GLN 91 2.00 8 0.12 0.33 + ++ +++* + VdW O LEU 65 - SG CYS 69 3.10 17 0.40 0.58 ++* +++++++++ ++++ + VdW CG GLU 67 - C GLU 67 2.90 17 0.20 0.24 ++++++ +++++++++ +* VdW CA LEU 68 - CD1 LEU 68 3.00 6 0.11 0.25 + * +++ + VdW HA LEU 68 - CD1 LEU 68 2.60 10 0.21 0.46 + *+ + ++++ + + VdW HB3 CYS 69 - CD1 LEU 73 2.60 7 0.15 0.45 + * + + + + + VdW SG CYS 69 - HB2 LEU 87 2.80 6 0.15 0.37 + +* +++ VdW CG TRP 72 - C TRP 72 2.90 16 0.23 0.26 +++*+++++ ++++++ + VdW CD1 TRP 72 - C TRP 72 3.10 20 0.57 0.69 ++++++*+++++++++++++ VdW CD1 TRP 72 - O TRP 72 2.90 10 0.20 0.25 + + +++ + * + + + VdW HD1 TRP 72 - C TRP 72 2.50 17 0.39 0.60 ++++++* +++++++ ++ + VdW HD1 TRP 72 - O TRP 72 2.30 20 0.46 0.60 ++++*+++++++++++++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 7 0.16 0.35 ++ + + +* + VdW CH2 TRP 72 - CD1 LEU 87 3.20 11 0.19 0.31 +*+ + ++++ +++ VdW CD1 LEU 73 - CD2 LEU 87 3.20 8 0.11 0.33 ++ + ++ + + * VdW HA ARG 74 - CD PRO 75 2.60 20 0.29 0.31 +++++++++*++++++++++ VdW C ARG 74 - H GLU 76 2.45 20 0.30 0.35 ++++++++++++*+++++++ VdW N LYS 80 - HG3 LYS 80 2.45 6 0.09 0.24 + ++ + * + VdW H LYS 80 - CG LYS 80 2.55 8 0.16 0.22 ++ + ++ + +* VdW O LYS 80 - HG LEU 84 2.30 11 0.18 0.40 +++ * +++ ++ + + VdW O GLU 81 - CB GLU 85 2.90 15 0.20 0.29 ++++++++++ *+ ++ + VdW HA LEU 84 - CD2 LEU 87 2.60 12 0.22 0.40 +++ + +++ + +*+ + VdW O LEU 84 - CG2 VAL 88 2.90 8 0.11 0.30 ++ * ++ + + + VdW N LEU 87 - CD1 LEU 87 3.05 14 0.24 0.48 ++++ + +++++ *+++ VdW H LEU 87 - CD2 LEU 87 2.55 12 0.19 0.35 + ++ * ++++ ++++ VdW H LEU 87 - HD21 LEU 87 1.95 7 0.11 0.42 ++ + * + ++ VdW CA LEU 89 - CD2 LEU 89 3.00 7 0.11 0.21 +* + ++ ++ VdW CB LEU 89 - HA SER 111 2.60 7 0.17 0.26 + + ++ +* + VdW HB2 LEU 89 - HA SER 111 2.00 17 0.39 0.56 +++ + +++*+++++++++ VdW CG LEU 89 - N GLU 90 3.05 9 0.18 0.36 +++ + + ++ + * VdW HG LEU 89 - N GLU 90 2.45 9 0.11 0.30 +++ + + *+ + + VdW HG LEU 89 - C GLY 110 2.50 8 0.14 0.34 ++ + ++*+ + VdW CD1 LEU 89 - C LEU 89 3.10 9 0.23 0.55 +++ + * ++ + + VdW CD1 LEU 89 - N GLU 90 3.05 13 0.23 0.33 ++ ++++ + +++*++ VdW CD1 LEU 89 - N SER 111 3.05 9 0.14 0.36 *++ + + ++ + + VdW CD2 LEU 89 - C LEU 89 3.10 11 0.33 0.71 * + ++ + ++++ ++ VdW CD2 LEU 89 - N SER 111 3.05 10 0.17 0.41 + + ++ + *+++ + VdW HD21 LEU 89 - C LEU 89 2.50 7 0.12 0.37 + + * +++ + VdW CD GLN 91 - C GLN 91 3.00 9 0.19 0.50 ++ ++ ++++ * VdW CD GLN 91 - O GLN 91 2.80 8 0.19 0.36 ++++ + + * + VdW NE2 GLN 91 - C GLN 91 2.95 8 0.11 0.39 + + *+ +++ + VdW NE2 GLN 91 - O GLN 91 2.75 11 0.20 0.32 + + *+ + +++++ + VdW O GLN 91 - C PHE 92 2.80 15 0.22 0.28 +++ ++++++++ +*++ VdW CG PHE 92 - OE1 GLN 359 2.90 12 0.20 0.49 + + + ++ + + ++++ * VdW CD1 PHE 92 - C PHE 92 3.10 11 0.24 0.51 + *+ + ++ +++ + + VdW CD1 PHE 92 - HG2 GLN 359 2.60 9 0.21 0.56 + * + + + + +++ VdW HD1 PHE 92 - C PHE 92 2.50 11 0.30 0.67 + *+ + ++ +++ + + VdW HD1 PHE 92 - N LEU 93 2.45 7 0.12 0.38 *+ + + +++ VdW CE1 PHE 92 - CG GLN 359 3.20 9 0.20 0.49 + + + + + + ++* VdW CE1 PHE 92 - HG2 GLN 359 2.60 9 0.40 0.90 + + + + + + ++* VdW CZ PHE 92 - CA ALA 116 3.20 16 0.26 0.35 +++++++++ *++++ ++ VdW CZ PHE 92 - CB ALA 116 3.20 20 0.50 0.67 +++++++++*++++++++++ VdW CZ PHE 92 - HB1 ALA 116 2.60 8 0.20 0.61 ++ ++ + + + * VdW CZ PHE 92 - HB2 ALA 116 2.60 10 0.21 0.49 + *+ + ++ + ++ + VdW CZ PHE 92 - CB GLN 359 3.20 13 0.24 0.56 + +++++++ + +*+ + VdW CZ PHE 92 - HB3 GLN 359 2.60 16 0.39 0.95 + +++++++ + +*+++++ VdW CZ PHE 92 - CG GLN 359 3.20 7 0.17 0.39 + + *+ ++ + VdW CZ PHE 92 - HG2 GLN 359 2.60 11 0.25 0.51 +* +++ + + ++ + + VdW HZ PHE 92 - CB ALA 116 2.60 20 0.39 0.51 +++++++*++++++++++++ VdW HZ PHE 92 - HB1 ALA 116 2.00 8 0.23 0.64 ++ ++ + + * + VdW HZ PHE 92 - HB2 ALA 116 2.00 10 0.30 0.74 + ++ * + ++ ++ + VdW HZ PHE 92 - C GLN 359 2.50 9 0.14 0.36 +* +++ + + + + VdW CE2 PHE 92 - CB ALA 116 3.20 6 0.10 0.36 * ++ + + + VdW CE2 PHE 92 - CG GLN 359 3.20 10 0.22 0.62 + ++ + *+ ++ + + VdW CE2 PHE 92 - HG2 GLN 359 2.60 10 0.37 0.90 + ++ + ++ +* + + VdW CD2 PHE 92 - C PHE 92 3.10 9 0.19 0.48 * + + + + + +++ VdW CD2 PHE 92 - HG2 GLN 359 2.60 9 0.23 0.54 + ++ + * ++ + + VdW HD2 PHE 92 - C PHE 92 2.50 9 0.24 0.64 * + + + + + +++ VdW O PHE 92 - C LEU 93 2.80 14 0.20 0.27 ++ + ++++++ +++* + VdW O PHE 92 - N ALA 95 2.75 17 0.33 0.48 ++++++++++++ +++* + VdW O PHE 92 - H ALA 95 1.80 17 0.29 0.44 ++++++++++++ +++* + VdW CA LEU 93 - CD1 LEU 93 3.00 13 0.17 0.27 ++ ++ +++ ++++*+ VdW HA LEU 93 - CD1 LEU 93 2.60 13 0.18 0.35 ++ ++ +*+ ++++++ VdW C LEU 93 - H ALA 95 2.45 13 0.23 0.37 + + ++*+++ ++++ + VdW O LEU 93 - CG GLN 101 2.90 18 0.25 0.34 +++++++ ++++++++++* VdW C GLY 94 - H LEU 96 2.45 9 0.16 0.52 + + +*+ + ++ + VdW N LEU 96 - HG LEU 96 2.45 8 0.13 0.34 + * +++ + ++ VdW N LEU 96 - CD2 LEU 96 3.05 12 0.20 0.52 +++ +++ + + +++* VdW H LEU 96 - CG LEU 96 2.55 9 0.12 0.28 +++ +++ + * + VdW H LEU 96 - CD2 LEU 96 2.55 11 0.29 0.60 +++ +++ + + ++* VdW CB LEU 96 - HD2 PRO 97 2.60 7 0.15 0.27 * + + ++++ VdW CB LEU 96 - HB ILE 100 2.60 9 0.15 0.28 ++ + + + ++*+ VdW HB3 LEU 96 - HD2 PRO 97 2.00 6 0.16 0.25 +++ + *+ VdW O LEU 96 - NE2 GLN 101 2.75 13 0.24 0.34 + + + ++*++ ++++ + VdW CB PRO 97 - CD PRO 98 3.20 20 0.27 0.32 ++++++++++++++++++*+ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.36 0.42 ++++++++++++++++++*+ VdW HB2 PRO 97 - CD PRO 98 2.60 20 0.29 0.38 ++++++++++++++++++*+ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.51 0.61 ++++++++++++++++++*+ VdW N GLU 99 - CG GLU 99 2.85 8 0.09 0.20 + ++ + ++ +* VdW H GLU 99 - CG GLU 99 2.55 9 0.14 0.34 + ++ + *+ +++ VdW CD1 ILE 100 - O ALA 355 2.90 15 0.27 0.41 ++++ + *++ + + +++++ VdW CG1 VAL 104 - C VAL 104 2.90 7 0.09 0.29 +* ++ + ++ VdW CB GLN 107 - H ARG 108 2.55 12 0.23 0.40 + ++ ++*+ +++ + + VdW HB3 GLN 107 - H ARG 108 1.95 6 0.11 0.29 + + ++ + * VdW O GLN 107 - CB ARG 108 2.90 8 0.17 0.35 +*+ + + ++ + VdW HA ARG 108 - CD PRO 109 2.60 9 0.15 0.29 + ++ + +* + + + VdW HD3 PRO 109 - CD1 LEU 118 2.60 9 0.19 0.35 + + +*+ ++ ++ VdW CA GLU 113 - HA ALA 363 2.60 11 0.20 0.40 ++ ++ +++ +*+ + VdW HA GLU 113 - HA ALA 363 2.00 14 0.28 0.57 ++ +++++ ++* ++++ VdW O GLU 113 - CA ALA 363 2.90 13 0.25 0.42 ++ ++ +++ *++++ + VdW O GLU 113 - HA ALA 363 2.30 7 0.14 0.37 ++ +++ * + VdW O GLU 113 - CB ALA 363 2.90 15 0.38 0.72 ++*++++++ +++++ + VdW O GLU 113 - HB1 ALA 363 2.30 6 0.14 0.61 *+ + + + + VdW CB ALA 116 - O GLN 359 2.90 12 0.21 0.41 +++++ +++ *++ + VdW CB ALA 116 - CA GLU 360 3.20 13 0.22 0.32 +++++++ + + + +*+ VdW CB ALA 116 - HA GLU 360 2.60 20 0.43 0.64 +++++++++*++++++++++ VdW CB ALA 116 - CB ALA 363 3.20 17 0.33 0.53 +++++++++++* +++++ VdW CB ALA 116 - HB3 ALA 363 2.60 6 0.13 0.43 + * ++ + + VdW HB1 ALA 116 - O GLN 359 2.30 6 0.15 0.67 ++ ++ * + VdW HB1 ALA 116 - HA GLU 360 2.00 6 0.15 0.69 + * +++ + VdW HB2 ALA 116 - O GLN 359 2.30 7 0.15 0.46 + ++ + + + * VdW HB2 ALA 116 - CA GLU 360 2.60 6 0.12 0.33 + ++ * ++ VdW HB2 ALA 116 - HA GLU 360 2.00 8 0.15 0.68 + ++ + + + +* VdW HB2 ALA 116 - CB ALA 363 2.60 6 0.12 0.58 + + * + + + VdW HB3 ALA 116 - CB ALA 363 2.60 6 0.15 0.64 + + + + *+ VdW HB3 ALA 116 - HB2 ALA 363 2.00 6 0.13 0.44 * + + + ++ VdW O ALA 116 - CG1 VAL 119 2.90 11 0.22 0.54 + + + +++++*++ VdW H ALA 117 - CB ALA 363 2.55 6 0.11 0.33 ++ *++ + VdW HA VAL 119 - CD2 LEU 122 2.60 7 0.17 0.29 + + + ++*+ VdW CB ASP 120 - CD GLU 360 3.10 9 0.16 0.28 + +++ + ++* + VdW CG PHE 347 - C PHE 347 2.90 7 0.18 0.23 +++ + * ++ VdW CE1 PHE 347 - SG CYS 369 3.40 7 0.12 0.48 + + + *+ ++ VdW CZ PHE 347 - HB2 GLN 391 2.60 7 0.14 0.43 ++ + + ++ * VdW CZ PHE 347 - CG GLN 391 3.20 7 0.13 0.25 * + + ++ + + VdW HZ PHE 347 - CB LEU 387 2.60 9 0.21 0.41 + + + + +*++ + VdW HA ARG 348 - CD GLN 391 2.50 10 0.19 0.38 ++++ + + ++*+ VdW HA ARG 348 - OE1 GLN 391 2.30 11 0.23 0.43 ++++ +++ + ++ * VdW CD1 PHE 350 - CB ALA 361 3.20 7 0.13 0.49 + + * ++ + + VdW CZ PHE 350 - N ALA 361 3.05 8 0.13 0.36 ++++ ++* + VdW HZ PHE 350 - CB GLU 360 2.60 11 0.19 0.54 + +++++ + + ++* VdW HZ PHE 350 - HB3 GLU 360 2.00 11 0.17 0.43 + ++++++++ +* VdW HZ PHE 350 - CG GLU 360 2.60 10 0.22 0.49 * +++ ++ +++ + VdW HZ PHE 350 - CD GLU 360 2.50 6 0.12 0.47 + + +++ * VdW CE2 PHE 350 - N ALA 361 3.05 7 0.10 0.32 + +++* + + VdW CD2 PHE 350 - CB ALA 361 3.20 13 0.29 0.58 ++ ++ ++++ * ++ + + VdW CD2 PHE 350 - HB3 ALA 361 2.60 6 0.09 0.32 + *+ + ++ VdW CB TYR 352 - HA PRO 358 2.60 9 0.17 0.39 + +++ * ++ + + VdW CB TYR 352 - O ALA 395 2.90 9 0.29 0.70 +*+++ + + + + VdW HB2 TYR 352 - C GLY 357 2.50 9 0.19 0.36 + ++ +++ * + + VdW HB2 TYR 352 - O GLY 357 2.30 13 0.31 0.59 +++ ++++++ ++* + VdW HB2 TYR 352 - CA PRO 358 2.60 8 0.17 0.46 +++ + *++ + VdW HB2 TYR 352 - HA PRO 358 2.00 12 0.24 0.54 +++++ ++*+++ + VdW HB3 TYR 352 - C ALA 395 2.50 10 0.17 0.32 ++++ * ++++ + VdW HB3 TYR 352 - O ALA 395 2.30 17 0.42 0.68 +++++++++*++ ++++ + VdW CG TYR 352 - C TYR 352 2.90 20 0.23 0.24 ++++++++*+++++++++++ VdW CG TYR 352 - C GLY 357 3.10 12 0.24 0.46 ++ ++++++ ++* + VdW CG TYR 352 - N PRO 358 3.05 7 0.20 0.35 + +++ * + + VdW CG TYR 352 - O ALA 395 2.90 9 0.14 0.35 +++*+ + + + + VdW CD1 TYR 352 - C TYR 352 3.10 6 0.13 0.47 + + + ++ * VdW CD1 TYR 352 - CA GLY 357 3.20 7 0.24 0.75 + + ++ *+ + VdW CD1 TYR 352 - HA2 GLY 357 2.60 7 0.19 0.78 + + +* ++ + VdW CD1 TYR 352 - C GLY 357 3.10 7 0.17 0.59 + + ++ +* + VdW CD1 TYR 352 - O ALA 395 2.90 8 0.20 0.59 *++++ + + + VdW CD1 TYR 352 - HA LEU 396 2.60 6 0.17 0.41 ++++ + * VdW HD1 TYR 352 - N GLY 357 2.45 7 0.15 0.50 + + ++ *+ + VdW HD1 TYR 352 - O ALA 395 2.30 8 0.20 0.67 *++++ + + + VdW HD1 TYR 352 - CA LEU 396 2.60 13 0.21 0.39 ++++++++ ++ +* + VdW HD1 TYR 352 - HA LEU 396 2.00 13 0.27 0.46 ++++*+++ ++ ++ + VdW CE1 TYR 352 - CA GLY 357 3.20 6 0.15 0.56 + + + ++ * VdW CE1 TYR 352 - HA2 GLY 357 2.60 7 0.25 0.78 + + ++ *+ + VdW CE1 TYR 352 - HD3 PRO 358 2.60 10 0.18 0.39 +++ +++* ++ + VdW CZ TYR 352 - HD3 PRO 358 2.60 7 0.12 0.30 + *++ + + + VdW CE2 TYR 352 - CA GLY 357 3.20 12 0.21 0.58 *+++++++ ++ ++ VdW CE2 TYR 352 - HA2 GLY 357 2.60 13 0.45 0.83 ++++++++ +* ++ + VdW CD2 TYR 352 - C TYR 352 3.10 13 0.27 0.45 +++++++* ++ ++ + VdW CD2 TYR 352 - N GLY 357 3.05 9 0.16 0.49 *+ ++++ ++ + VdW CD2 TYR 352 - CA GLY 357 3.20 13 0.47 0.77 ++++++++ +* ++ + VdW CD2 TYR 352 - HA2 GLY 357 2.60 13 0.45 0.86 ++*+++++ ++ ++ + VdW CD2 TYR 352 - C GLY 357 3.10 13 0.26 0.49 ++++++++ ++ +* + VdW HD2 TYR 352 - N GLY 357 2.45 13 0.29 0.51 ++++++*+ ++ ++ + VdW HD2 TYR 352 - H GLY 357 1.95 11 0.18 0.37 *++++++ ++ ++ VdW HD2 TYR 352 - CA GLY 357 2.60 12 0.26 0.65 +++++++ ++ ++ * VdW HD2 TYR 352 - HA LEU 396 2.00 7 0.14 0.45 + + ++ *+ + VdW C GLU 353 - N ALA 355 2.95 20 0.28 0.34 +*++++++++++++++++++ VdW C GLU 353 - H ALA 355 2.45 20 0.36 0.41 ++++++++*+++++++++++ VdW O GLU 353 - N ALA 355 2.75 19 0.31 0.50 +*+++++++++++++++ ++ VdW O GLU 353 - N THR 356 2.75 11 0.17 0.30 ++ + + ++ * +++ + VdW O GLU 353 - N GLY 357 2.75 8 0.17 0.28 + + + + *+ + + VdW O GLU 353 - H GLY 357 1.80 7 0.15 0.28 + * + ++ + + VdW CG2 THR 356 - C THR 356 2.90 20 0.31 0.32 *+++++++++++++++++++ VdW CA PRO 358 - CB ALA 395 3.20 17 0.34 0.55 ++++++++++++ +++* + VdW CA PRO 358 - HB2 ALA 395 2.60 6 0.14 0.72 + + +* + + VdW CA PRO 358 - HB3 ALA 395 2.60 12 0.27 0.72 + ++ ++ ++ ++*+ + VdW CA PRO 358 - O ALA 395 2.90 8 0.15 0.42 +++++ * + + VdW HA PRO 358 - O ALA 395 2.30 9 0.16 0.47 *++++ + + + + VdW CB PRO 358 - CB ALA 395 3.20 20 0.73 0.83 ++++++++++++*+++++++ VdW CB PRO 358 - HB1 ALA 395 2.60 8 0.23 0.88 ++ + *+ ++ + VdW CB PRO 358 - HB2 ALA 395 2.60 16 0.47 0.94 +++++++++++ +*+ ++ VdW CB PRO 358 - HB3 ALA 395 2.60 12 0.32 0.97 *+ ++ ++ ++ ++ ++ VdW CB PRO 358 - O ALA 395 2.90 9 0.19 0.50 ++*++ ++ + + VdW HB2 PRO 358 - CB ALA 395 2.60 18 0.53 0.89 ++++++++++++*++++ + VdW HB2 PRO 358 - HB1 ALA 395 2.00 7 0.16 0.52 + + ++ +* + VdW HB2 PRO 358 - HB2 ALA 395 2.00 12 0.26 0.61 ++++++ ++* + + + VdW HB2 PRO 358 - HB3 ALA 395 2.00 6 0.14 0.48 + *+ + ++ VdW HB3 PRO 358 - CB ALA 395 2.60 12 0.27 0.51 + ++ +++ + ++++ * VdW HB3 PRO 358 - HB2 ALA 395 2.00 8 0.23 0.81 ++ ++ + +* + VdW HB3 PRO 358 - C ALA 395 2.50 8 0.17 0.54 ++++ *++ + VdW HB3 PRO 358 - O ALA 395 2.30 11 0.30 0.71 ++*++ ++++ + + VdW C PRO 358 - HB3 ALA 395 2.50 6 0.14 0.61 + + ++ + * VdW HG3 GLU 360 - C GLU 360 2.50 7 0.15 0.46 + +++ + *+ VdW HG3 GLU 360 - O GLU 360 2.30 10 0.16 0.38 + +++ ++ ++ +* VdW O GLU 360 - CG GLN 364 2.90 10 0.17 0.58 ++ + * + +++++ VdW O GLU 360 - HG3 GLN 364 2.30 8 0.16 0.41 + ++ * +++ + VdW C ALA 361 - N ALA 363 2.95 17 0.22 0.30 ++++++++* ++++++++ VdW C ALA 361 - HG LEU 365 2.50 12 0.24 0.56 +++ +++ + ++* + + VdW O ALA 361 - C LEU 362 2.80 19 0.29 0.39 +++++++++ +++++++++* VdW O ALA 361 - N ALA 363 2.75 19 0.37 0.49 ++++*++++ ++++++++++ VdW O ALA 361 - N GLN 364 2.75 13 0.28 0.47 +++++++ ++++ + * VdW O ALA 361 - HG LEU 365 2.30 8 0.17 0.46 ++ + + +* + + VdW N GLN 364 - CG GLN 364 2.85 6 0.18 0.21 *++ +++ VdW N GLN 364 - HG2 GLN 364 2.45 7 0.16 0.45 + + + +* + + VdW H GLN 364 - CG GLN 364 2.55 15 0.30 0.41 + ++ ++++*++ ++++ + VdW H GLN 364 - HG2 GLN 364 1.95 8 0.17 0.66 + ++++* + + VdW O GLN 364 - N LEU 368 2.75 9 0.20 0.53 ++ + +*++ ++ VdW O GLN 364 - HB2 LEU 368 2.30 7 0.17 0.43 + + + ++ * + VdW O LEU 365 - SG CYS 369 3.10 18 0.41 0.62 +++++++++++++ ++++* VdW CG GLU 367 - C GLU 367 2.90 13 0.18 0.24 ++ + ++*+ ++++++ VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.12 0.26 + + *+ + + VdW HA LEU 368 - CD1 LEU 368 2.60 12 0.24 0.50 ++ + +++ *+ ++ ++ VdW HB3 CYS 369 - CD1 LEU 373 2.60 7 0.13 0.45 +++ + * + + VdW CG TRP 372 - C TRP 372 2.90 17 0.23 0.26 +++ *++++ +++++++ ++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.56 0.70 ++++++++++*+++++++++ VdW CD1 TRP 372 - O TRP 372 2.90 10 0.20 0.27 + + ++ ++ + *+ + VdW HD1 TRP 372 - C TRP 372 2.50 17 0.36 0.63 +++++ ++++* +++++++ VdW HD1 TRP 372 - O TRP 372 2.30 20 0.44 0.62 ++++++++++*+++++++++ VdW CZ3 TRP 372 - HG LEU 387 2.60 9 0.19 0.35 +* + + + + ++ + VdW CH2 TRP 372 - CD1 LEU 387 3.20 13 0.22 0.32 ++ + ++++ *+ ++++ VdW CD1 LEU 373 - HD22 LEU 387 2.60 6 0.08 0.28 + + + * + + VdW HA ARG 374 - CD PRO 375 2.60 20 0.30 0.31 +++++++*++++++++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.31 0.35 ++++++*+++++++++++++ VdW O LYS 380 - HB2 LEU 384 2.30 8 0.12 0.30 + ++ + * + + + VdW O LYS 380 - HG LEU 384 2.30 7 0.10 0.34 ++ + * +++ VdW O GLU 381 - CB GLU 385 2.90 8 0.16 0.30 +* + + + +++ VdW HA LEU 384 - CD2 LEU 387 2.60 13 0.25 0.41 ++ + +++ ++*++++ VdW HA GLU 385 - CG1 VAL 388 2.60 10 0.15 0.43 ++ *+ + + ++++ VdW O GLU 385 - HB3 LEU 389 2.30 6 0.12 0.41 + +* + + + VdW N LEU 387 - CD1 LEU 387 3.05 15 0.25 0.47 ++++ +++++ +*+++ + VdW N LEU 387 - HD13 LEU 387 2.45 6 0.10 0.36 ++ + + *+ VdW H LEU 387 - CD2 LEU 387 2.55 14 0.21 0.32 + + ++ ++ + ++++++* VdW CA LEU 389 - CD2 LEU 389 3.00 6 0.10 0.22 + ++ * ++ VdW HA LEU 389 - N PRO 412 2.45 10 0.18 0.32 + +++ +++*++ VdW HB2 LEU 389 - HA SER 411 2.00 19 0.38 0.56 + ++++++*+++++++++++ VdW CG LEU 389 - N GLU 390 3.05 10 0.19 0.36 + +++ +++ +* + VdW HG LEU 389 - N GLU 390 2.45 10 0.13 0.42 + +++ *++ ++ + VdW HG LEU 389 - C GLY 410 2.50 9 0.13 0.32 + ++ + +* +++ VdW CD1 LEU 389 - C LEU 389 3.10 9 0.23 0.54 + ++* ++ ++ + VdW CD1 LEU 389 - N GLU 390 3.05 13 0.22 0.35 + ++++ + +++ ++*+ VdW CD1 LEU 389 - N SER 411 3.05 9 0.13 0.35 + +++ +* ++ + VdW CD2 LEU 389 - C LEU 389 3.10 10 0.30 0.71 + ++ + ++ ++*+ VdW CD2 LEU 389 - N SER 411 3.05 7 0.15 0.43 ++ ++ +*+ VdW HD23 LEU 389 - C LEU 389 2.50 8 0.12 0.39 ++ + ++ +*+ VdW HA GLN 391 - OE1 GLN 391 2.30 7 0.15 0.39 +*+ ++ + + VdW CD GLN 391 - C GLN 391 3.00 6 0.16 0.38 + ++ +* + VdW CD GLN 391 - O GLN 391 2.80 13 0.22 0.36 +++*+ +++ ++++ + VdW NE2 GLN 391 - O GLN 391 2.75 7 0.17 0.32 + + * ++ + + VdW O GLN 391 - C PHE 392 2.80 11 0.20 0.27 ++ +++ *++++ + VdW CD1 PHE 392 - C PHE 392 3.10 11 0.25 0.51 + ++ +*++ ++ + + VdW HD1 PHE 392 - C PHE 392 2.50 11 0.28 0.56 + ++ +*++ ++ + + VdW HD1 PHE 392 - N LEU 393 2.45 10 0.17 0.52 + ++ ++++ + * + VdW CZ PHE 392 - CA ALA 416 3.20 18 0.28 0.38 +++++++++++* ++++++ VdW CZ PHE 392 - CB ALA 416 3.20 20 0.48 0.66 +++++++++++++*++++++ VdW CZ PHE 392 - HB2 ALA 416 2.60 8 0.17 0.59 + + + + *+ + + VdW CZ PHE 392 - HB3 ALA 416 2.60 7 0.14 0.49 ++ * + ++ + VdW HZ PHE 392 - CB ALA 416 2.60 19 0.35 0.47 ++++++++++++++*++++ VdW HZ PHE 392 - HB2 ALA 416 2.00 7 0.20 0.66 + + + + * + + VdW HZ PHE 392 - HB3 ALA 416 2.00 8 0.20 0.64 ++ *+ + ++ + VdW CE2 PHE 392 - CB ALA 416 3.20 6 0.10 0.29 ++ + *+ + VdW CD2 PHE 392 - C PHE 392 3.10 9 0.20 0.47 + ++ ++ + +* + VdW CD2 PHE 392 - O PRO 412 2.90 8 0.18 0.66 + ++ *++ + + VdW HD2 PHE 392 - C PHE 392 2.50 9 0.23 0.55 + *+ ++ + ++ + VdW HD2 PHE 392 - N LEU 393 2.45 7 0.11 0.39 + ++ ++ *+ VdW O PHE 392 - C LEU 393 2.80 8 0.17 0.29 +++ + +*+ + VdW O PHE 392 - N ALA 395 2.75 15 0.27 0.46 ++++++++++++++ * VdW O PHE 392 - H ALA 395 1.80 13 0.23 0.37 ++*++++ +++++ + VdW O PHE 392 - HB1 ALA 395 2.30 8 0.13 0.40 +* ++ ++ + + VdW CA LEU 393 - CD1 LEU 393 3.00 14 0.17 0.26 ++++ *++ +++ +++ + VdW HA LEU 393 - CD1 LEU 393 2.60 11 0.17 0.36 ++*+ +++ ++ + + VdW C LEU 393 - H ALA 395 2.45 12 0.20 0.38 +++++ + +*++ + + VdW O LEU 393 - CG GLN 401 2.90 16 0.26 0.40 ++++++ *++++ ++++ + VdW C GLY 394 - H LEU 396 2.45 11 0.20 0.51 +++++ ++*+ + + VdW C ALA 395 - HG LEU 396 2.50 6 0.15 0.56 + +*++ + VdW N LEU 396 - HG LEU 396 2.45 14 0.23 0.34 ++++* + ++++ ++++ VdW N LEU 396 - CD2 LEU 396 3.05 6 0.08 0.29 + +++ + * VdW H LEU 396 - CG LEU 396 2.55 8 0.10 0.30 + *++ + + + + VdW H LEU 396 - CD2 LEU 396 2.55 6 0.16 0.57 + +++ * + VdW CB LEU 396 - HB ILE 400 2.60 6 0.10 0.29 + +*+ + + VdW O LEU 396 - NE2 GLN 401 2.75 16 0.25 0.33 ++*+++ ++++++++ ++ VdW CB PRO 397 - CD PRO 398 3.20 19 0.25 0.31 ++++++*++ ++++++++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.34 0.41 ++++++*+++++++++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 17 0.26 0.37 + ++++*++ + ++++++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.47 0.60 ++++++*+++++++++++++ VdW N GLU 399 - CG GLU 399 2.85 14 0.17 0.20 *+ + + ++ ++ +++ +++ VdW H GLU 399 - CG GLU 399 2.55 17 0.26 0.35 ++++++ ++ ++++++ ++* VdW HA GLN 401 - CG1 VAL 404 2.60 6 0.13 0.36 + + ++* + VdW CB GLN 407 - N ARG 408 2.85 9 0.18 0.20 +++++ + * + + VdW CB GLN 407 - H ARG 408 2.55 18 0.34 0.40 ++++++++ +++*+++++ + VdW HB3 GLN 407 - H ARG 408 1.95 13 0.20 0.32 ++++++ + + +++*+ VdW HA ARG 408 - CD PRO 409 2.60 15 0.20 0.26 +++*++ +++++++++ VdW HD3 PRO 409 - CD1 LEU 418 2.60 10 0.20 0.34 ++ + ++ *+ ++ + VdW CB SER 411 - HD2 PRO 412 2.60 10 0.19 0.28 ++ ++ +*+ ++ + VdW O ALA 416 - CG1 VAL 419 2.90 13 0.24 0.57 *++ + ++++++ ++ + VdW HA VAL 419 - CD2 LEU 422 2.60 11 0.19 0.31 +++ ++ * +++ ++ Angle PSI LEU 45 -52.00 -32.00 15 6.79 11.57 + +++++ ++++*+ +++ Angle PSI ARG 46 -48.00 -28.00 6 3.71 6.59 + + * ++ + Angle PHI ARG 48 -91.00 -61.00 7 5.01 13.41 + + + + + + * Angle PSI ARG 48 -34.00 -4.00 19 12.34 17.23 +++++*+++ ++++++++++ Angle PHI CYS 49 -106.00 -66.00 9 4.30 8.97 + + * + + ++++ Angle PSI CYS 49 -51.00 -5.00 20 23.38 33.20 +++++++++*++++++++++ Angle PHI PHE 50 -112.00 -54.00 17 7.70 12.71 ++++ ++++*++ +++++ + Angle PSI HIS 51 99.00 143.00 16 8.81 17.48 +++ +++*++++ + +++ + Angle PHI GLU 54 -70.00 -50.00 9 4.41 10.26 + + +* +++++ Angle PHI ALA 55 -80.00 -58.00 20 25.48 31.76 ++++++++++++++++++*+ Angle PHI THR 56 -112.00 -82.00 7 3.70 14.69 + + + +* + + Angle PSI THR 56 -15.00 15.00 20 28.61 43.29 +++++*++++++++++++++ Angle PSI PRO 58 -41.00 -31.00 6 3.98 9.69 + + + + + * Angle PHI GLN 59 -77.00 -57.00 20 10.44 18.31 ++++++++++++*+++++++ Angle PHI GLU 60 -75.00 -55.00 10 5.35 9.73 * ++++ + ++++ Angle PSI GLU 60 -54.00 -34.00 20 11.58 21.18 +++++++++++++*++++++ Angle PHI ALA 61 -72.00 -52.00 11 6.39 24.17 + ++++ + ++ +*+ Angle PSI ALA 61 -53.00 -33.00 18 10.60 26.70 ++++ ++++++++* +++++ Angle PHI LEU 62 -71.00 -51.00 20 18.89 26.83 +++++++++++++++++++* Angle PSI ALA 63 -48.00 -28.00 9 5.06 18.95 +++ + + *+ + + Angle PSI GLN 64 -51.00 -31.00 13 7.25 13.54 + ++++ +++ ++*+ + Angle PSI LEU 65 -52.00 -32.00 15 8.92 15.90 +++ +++ *+++ ++++ + Angle PHI ARG 66 -76.00 -56.00 8 4.34 10.95 + ++ ++ ++ * Angle PSI LEU 68 -52.00 -32.00 7 4.19 10.71 * ++++ + + Angle PSI SER 79 155.00 175.00 18 7.26 9.42 +++++++*++++ +++++ + Angle PHI LYS 80 -69.00 -49.00 12 5.40 8.01 + + +*+ + ++ ++++ Angle PSI LYS 80 -48.00 -28.00 16 7.19 13.61 ++++++++*++++++ + Angle PSI GLU 81 -50.00 -30.00 20 10.79 13.40 +++++++++++++++++*++ Angle PHI GLN 82 -76.00 -56.00 14 7.65 13.99 +++ ++++++ ++ ++ * Angle PSI MET 83 -52.00 -32.00 11 4.64 10.37 +++ * +++ ++ + + Angle PHI GLU 85 -75.00 -55.00 6 2.71 9.15 +* + ++ + Angle PSI GLU 85 -54.00 -34.00 6 3.52 10.33 ++ * + ++ Angle PHI LEU 87 -77.00 -57.00 20 12.85 18.75 +++++++++++++++++*++ Angle PSI LEU 87 -51.00 -31.00 15 7.57 17.17 +++++*+ +++ +++ ++ Angle PHI VAL 88 -78.00 -58.00 20 16.24 24.31 +++++++++++++++++++* Angle PSI VAL 88 -55.00 -35.00 13 6.01 9.17 ++ + +*+++ ++++ + Angle PSI LEU 89 -57.00 -37.00 17 9.84 15.20 ++ +++ ++++*+++++ ++ Angle PSI GLU 90 -52.00 -32.00 18 10.03 14.15 *+++++++++++++++++ Angle PHI PHE 92 -74.00 -54.00 20 17.01 21.70 +++++++++++++++*++++ Angle PHI LEU 93 -72.00 -52.00 17 13.94 18.94 ++++++++++++ +++* + Angle PSI GLY 94 -46.00 -8.00 7 3.38 13.18 + +++ ++ * Angle PSI PRO 97 132.20 154.90 20 29.26 32.13 ++++++++++++++++++*+ Angle PSI PRO 98 -46.00 -28.00 20 11.48 15.53 ++++++++++++++++++*+ Angle PHI GLU 99 -76.00 -56.00 15 7.10 11.22 +++++++ + + * +++++ Angle PHI ILE 100 -73.00 -53.00 20 8.67 11.99 ++++++++++++++++*+++ Angle PHI ALA 102 -72.00 -52.00 17 8.52 12.99 + +++ +++++++ ++*+++ Angle PHI ARG 103 -73.00 -53.00 18 8.19 14.05 +++ ++++++++++++*++ Angle PSI ARG 103 -53.00 -33.00 9 3.37 8.89 + + + ++* +++ Angle PSI GLN 105 -52.00 -30.00 11 3.94 11.50 + ++ + +* +++ + + Angle PSI GLY 106 -40.00 -6.00 10 6.37 16.13 ++ + + + ++*+ + Angle PHI GLY 110 58.00 92.00 12 6.07 18.55 ++ + + ++ +++ + +* Angle PSI PRO 112 -44.00 -28.00 9 4.89 12.47 ++ + + ++ *++ Angle PHI GLU 113 -75.00 -55.00 19 10.96 13.83 +++++++++*+++++++++ Angle PSI GLU 113 -51.00 -31.00 15 11.50 23.96 ++++*++++ +++++ + Angle PHI GLU 114 -74.00 -54.00 18 21.05 33.53 ++ +*++++++++++++++ Angle PHI ALA 115 -76.00 -56.00 7 3.93 10.65 + + + +++ * Angle PSI ALA 115 -49.00 -29.00 12 4.83 9.43 +++++*+++ ++ + Angle PHI ALA 117 -74.00 -54.00 8 3.99 10.81 +++ + + +* + Angle PSI ALA 117 -50.00 -30.00 11 4.74 10.93 + + + +++*++++ Angle PHI LEU 118 -79.00 -59.00 7 2.88 6.06 + + * ++++ Angle PHI VAL 119 -74.00 -54.00 10 4.84 10.44 + + + ++*++ + + Angle PSI VAL 119 -53.00 -33.00 9 5.17 11.17 + + + + +++*+ Angle PHI ASP 120 -69.00 -49.00 20 14.37 19.10 +*++++++++++++++++++ Angle PSI LEU 345 -52.00 -32.00 16 7.07 12.53 + ++++++++ *+ +++++ Angle PSI ARG 346 -48.00 -28.00 8 3.90 7.54 *++ +++ + + Angle PHI ARG 348 -91.00 -61.00 13 6.10 11.43 ++*++ + ++ + ++++ Angle PSI ARG 348 -34.00 -4.00 20 11.66 16.18 +++++*++++++++++++++ Angle PHI CYS 349 -106.00 -66.00 7 4.01 10.61 ++ + + +* + Angle PSI CYS 349 -51.00 -5.00 20 20.61 32.96 +++++++++++++*++++++ Angle PHI PHE 350 -112.00 -54.00 13 6.17 12.21 +++++ ++++ *++ + Angle PSI HIS 351 99.00 143.00 14 8.01 14.77 +++*+++++ ++++ + Angle PHI GLU 354 -70.00 -50.00 8 4.66 15.75 *++ + + + + + Angle PHI ALA 355 -80.00 -58.00 20 27.57 32.32 *+++++++++++++++++++ Angle PSI ALA 355 -50.00 -30.00 7 4.16 22.05 + + + + + + * Angle PHI THR 356 -112.00 -82.00 7 4.88 18.74 *++ + + + + Angle PSI THR 356 -15.00 15.00 20 21.12 34.01 ++++++++++++++++++*+ Angle PSI PRO 358 -41.00 -31.00 14 5.89 12.31 +++++ + +* ++++++ Angle PHI GLN 359 -77.00 -57.00 20 14.28 21.31 +++++++++++++++++++* Angle PHI GLU 360 -75.00 -55.00 11 5.57 10.92 +*+++++++ + + Angle PSI GLU 360 -54.00 -34.00 19 11.75 17.12 +++++++++++*+ ++++++ Angle PHI ALA 361 -72.00 -52.00 17 11.03 25.04 ++++++++++ + ++++* + Angle PSI ALA 361 -53.00 -33.00 18 12.49 27.75 ++ ++++ ++++++++*+++ Angle PHI LEU 362 -71.00 -51.00 20 20.69 29.95 +++++++++++++++++++* Angle PSI ALA 363 -48.00 -28.00 9 7.40 22.73 + ++* ++++ + Angle PSI GLN 364 -51.00 -31.00 12 6.95 15.98 + ++ +++*+ ++++ Angle PSI LEU 365 -52.00 -32.00 17 11.11 21.13 ++ ++*+++++++ +++++ Angle PHI ARG 366 -76.00 -56.00 7 4.04 14.70 + +++ ++ * Angle PSI LEU 368 -52.00 -32.00 6 3.78 11.22 *+ +++ + Angle PSI SER 379 155.00 175.00 17 7.13 10.28 +++++ +++++++++*++ Angle PHI LYS 380 -69.00 -49.00 8 5.01 10.75 +++ * ++ + + Angle PSI LYS 380 -48.00 -28.00 17 6.30 10.15 +++*++++ +++++++ ++ Angle PSI GLU 381 -50.00 -30.00 19 11.82 15.78 ++++++++++++++*++++ Angle PHI GLN 382 -76.00 -56.00 10 7.88 21.29 ++ * + + + ++++ Angle PHI MET 383 -75.00 -55.00 7 5.46 14.12 + * ++ ++ + Angle PSI MET 383 -52.00 -32.00 8 3.57 9.28 ++ * + + +++ Angle PHI GLU 385 -75.00 -55.00 10 3.83 11.38 + +++ + *+ + + + Angle PSI GLU 385 -54.00 -34.00 10 5.43 12.10 ++ +++ + + + *+ Angle PHI LEU 387 -77.00 -57.00 20 13.21 19.33 +++*++++++++++++++++ Angle PSI LEU 387 -51.00 -31.00 14 8.70 14.19 +++*+++ + + +++++ Angle PHI VAL 388 -78.00 -58.00 20 15.34 20.44 +++*++++++++++++++++ Angle PSI VAL 388 -55.00 -35.00 13 5.73 11.25 + ++++++++*+ ++ Angle PSI LEU 389 -57.00 -37.00 16 8.87 15.60 +++ ++++ ++ *++++++ Angle PSI GLU 390 -52.00 -32.00 17 9.25 16.04 ++++ ++++ +++++ ++*+ Angle PHI PHE 392 -74.00 -54.00 20 15.74 21.18 ++++++++++*+++++++++ Angle PHI LEU 393 -72.00 -52.00 19 11.75 20.78 +++++++++++++*+++++ Angle PHI GLY 394 -80.00 -56.00 6 2.40 8.23 +++ * + + Angle PSI GLY 394 -46.00 -8.00 6 3.13 9.75 ++ +++ * Angle PSI PRO 397 132.20 154.90 20 28.29 31.77 ++++++*+++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 12.38 13.68 ++++++++++*+++++++++ Angle PHI GLU 399 -76.00 -56.00 13 6.89 11.78 +++ + +*+ + ++ + ++ Angle PHI ILE 400 -73.00 -53.00 20 9.26 11.15 ++++++++++++++++++*+ Angle PHI ALA 402 -72.00 -52.00 20 8.24 10.85 ++++++*+++++++++++++ Angle PHI ARG 403 -73.00 -53.00 12 5.74 9.67 + ++ + + +++++ *+ Angle PSI ARG 403 -53.00 -33.00 6 3.24 6.69 + + +++* Angle PSI GLN 405 -52.00 -30.00 17 6.09 8.82 +++++++ +++++++*+ + Angle PSI GLY 406 -40.00 -6.00 6 3.53 10.79 + + +++ * Angle PHI GLU 413 -75.00 -55.00 13 8.14 14.62 + +++++ ++* ++++ Angle PSI GLU 413 -51.00 -31.00 13 9.89 28.08 ++ ++*++ + ++ ++ + Angle PHI GLU 414 -74.00 -54.00 16 13.39 33.50 + + ++*++ +++++ ++++ Angle PSI ALA 417 -50.00 -30.00 12 5.81 11.97 +++ + ++++* ++ + Angle PHI LEU 418 -79.00 -59.00 7 3.14 6.32 + + + + + *+ Angle PHI VAL 419 -74.00 -54.00 14 5.08 9.73 *++ + ++++++ +++ + Angle PSI VAL 419 -53.00 -33.00 7 4.05 7.70 + ++ * + ++ Angle PHI ASP 420 -69.00 -49.00 20 14.98 21.35 +++*++++++++++++++++ 535 violated distance constraints. 124 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.41 +/- 0.15 A (0.28..0.81 A; 20 structures) Average heavy atom RMSD to mean : 0.90 +/- 0.13 A (0.76..1.26 A; 20 structures)