Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 501.45 402 0.1536 5.93 380 224.4 0.92 81 9.1362 58.97 2 502.90 415 0.1540 5.93 394 228.9 0.94 72 9.1092 52.80 3 504.29 399 0.1557 5.87 385 220.7 1.29 90 8.6449 47.75 4 509.19 384 0.1511 5.88 397 229.4 1.24 7710.1441 55.88 5 509.55 444 0.1545 5.86 396 228.7 1.09 90 8.9257 46.17 6 510.56 396 0.1517 5.85 397 228.3 1.25 8410.0705 54.96 7 511.67 396 0.1526 5.88 388 228.2 1.19 77 9.7873 56.54 8 511.89 396 0.1513 5.81 402 234.1 1.10 8410.4016 56.58 9 513.16 390 0.1526 5.87 399 232.4 1.25 9010.0940 56.13 10 516.83 378 0.1539 5.84 402 230.4 1.19 77 9.6634 53.82 11 517.33 399 0.1520 5.84 408 235.4 1.13 8310.5337 66.22 12 517.82 389 0.1517 5.97 414 237.9 1.22 77 9.6846 56.16 13 518.90 404 0.1526 5.85 403 236.6 1.25 82 9.8972 57.31 14 518.93 402 0.1520 5.91 402 236.7 1.29 8510.0515 60.18 15 520.20 406 0.1508 5.71 407 237.1 1.32 75 9.8743 53.49 16 520.33 406 0.1521 5.81 417 241.3 1.27 81 9.5408 50.22 17 520.51 409 0.1545 5.84 410 231.1 1.22 86 9.8645 53.19 18 521.89 424 0.1524 5.71 411 241.2 1.31 79 9.6825 49.51 19 521.91 397 0.1526 5.74 396 235.8 1.21 8310.2739 56.37 20 522.18 382 0.1520 5.82 404 239.3 1.27 7610.0153 57.03 Ave 514.57 401 0.1527 5.85 401 232.9 1.20 81 9.7698 54.96 +/- 6.43 15 0.0013 0.07 9 5.4 0.11 5 0.4818 4.38 Min 501.45 378 0.1508 5.71 380 220.7 0.92 72 8.6449 46.17 Max 522.18 444 0.1557 5.97 417 241.3 1.32 9010.5337 66.22 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - HG LEU 68 3.84 20 0.53 0.94 +++++++++++++*++++++ peak 1528 Upper QB ALA 43 - HD1 TRP 72 4.73 19 0.41 0.69 ++++++++++++ +++*+++ peak 1651 Upper H ARG 44 - HD2 ARG 44 5.50 6 0.07 0.32 * ++ + ++ peak 705 Upper H ARG 44 - HD1 TRP 72 5.17 7 0.08 0.21 ++ + ++ + * peak 54 Upper H LEU 45 - HG LEU 45 3.23 9 0.26 0.76 +++ ++ +++ * peak 686 Upper QD2 LEU 45 - H ARG 48 5.46 8 0.12 0.33 ++* + ++ + + peak 1954 Upper H ARG 46 - QD2 LEU 68 4.30 19 0.51 0.85 +++ ++++++++++++++*+ peak 668 Upper QD PHE 47 - QG1 VAL 88 5.50 20 0.53 0.88 *+++++++++++++++++++ peak 2761 Upper QE PHE 47 - QG1 VAL 88 4.50 10 0.10 0.31 * ++ + ++ ++++ peak 2762 Upper HZ PHE 47 - H CYS 69 5.50 11 0.13 0.54 ++ ++*+ +++++ peak 86 Upper HZ PHE 47 - HA CYS 69 5.50 7 0.08 0.26 + + +++ + * peak 285 Upper HZ PHE 47 - QD1 LEU 87 4.42 15 0.21 0.41 + + ++++++++ +++*+ peak 8274 Upper HZ PHE 47 - QG2 VAL 88 4.20 14 0.22 0.53 + +++ *+++ + +++++ peak 294 Upper HZ PHE 47 - HG3 GLN 91 4.24 12 0.39 0.82 ++ +++ ++ +++*+ peak 295 Upper H PHE 50 - QD1 LEU 68 5.26 8 0.08 0.23 + ++ + ++ + * peak 2509 Upper HA PHE 50 - QD2 LEU 65 4.94 10 0.16 0.43 ++ +* +++ + ++ peak 2035 Upper HB2 PHE 50 - QB ALA 95 5.50 17 0.44 0.65 ++ +++++*+++++++++ peak 2012 Upper HB3 PHE 50 - QD1 LEU 68 5.42 18 0.35 0.58 +++ ++++++++++ *++++ peak 2498 Upper QD PHE 50 - H HIS 51 3.77 12 0.15 0.32 ++ ++ +++ +++*+ peak 75 Upper QD PHE 50 - HB2 GLN 64 4.36 14 0.37 1.24 + ++ ++ ++++*++++ peak 275 Upper QD PHE 50 - QD2 LEU 65 3.53 18 0.27 0.47 + ++ ++++*++++++++++ peak 281 Upper QD PHE 50 - QD1 LEU 68 3.89 18 0.27 0.71 + +++++++++*+++++++ peak 2510 Upper QD PHE 50 - HA PHE 92 4.65 7 0.19 0.81 *+ ++ + + + peak 3240 Upper QD PHE 50 - QB ALA 95 3.20 8 0.07 0.27 ++ +*++ ++ peak 278 Upper QD PHE 50 - QB ALA 395 3.01 20 5.73 5.97 +++++++++++*++++++++ peak 8165 Upper QE PHE 50 - H GLU 53 5.50 20 0.48 0.89 *+++++++++++++++++++ peak 797 Upper QE PHE 50 - HA GLU 60 4.69 11 0.09 0.21 + + + *+++ +++ + peak 8131 Upper QE PHE 50 - HB2 GLN 64 4.58 12 0.17 0.51 *+ ++++++ + + + + peak 264 Upper QE PHE 50 - QD2 LEU 65 4.63 17 0.32 0.68 + ++ ++ +++++++*++++ peak 272 Upper QE PHE 50 - QB ALA 395 3.33 20 3.96 4.24 ++++++*+++++++++++++ peak 8164 Upper H HIS 51 - HD2 HIS 51 4.38 16 0.17 0.75 + + +++ ++++++ *++++ peak 320 Upper H HIS 51 - QB ALA 95 5.50 19 0.45 0.70 +*+++++++++++++++++ peak 787 Upper HA HIS 51 - QB ALA 95 4.60 12 0.12 0.28 ++++*+ + + + +++ peak 1718 Upper HE1 HIS 51 - QG GLU 53 4.11 16 0.17 0.39 ++++ +*+++++ ++++ + peak 258 Upper H TYR 52 - HA3 GLY 94 5.50 12 0.18 0.58 + ++++++ ++*++ peak 789 H TYR 52 - HD2 PRO 97 Upper H TYR 52 - HG LEU 96 5.22 20 1.01 2.47 ++++++*+++++++++++++ peak 793 Upper HA TYR 52 - QB ALA 95 4.53 6 0.11 1.03 ++*++ + peak 1717 Upper QB TYR 52 - QB ALA 395 5.50 20 0.97 1.37 *+++++++++++++++++++ peak 8347 Upper QD TYR 52 - HB3 LEU 96 3.93 13 0.33 0.97 ++ +++++* +++++ peak 249 Upper QD TYR 52 - QD1 LEU 96 4.32 12 0.25 0.77 *+ +++ ++ ++ +++ peak 251 Upper QD TYR 52 - QD2 LEU 96 3.76 7 0.14 0.65 +* ++ + + + peak 252 Upper QD TYR 52 - HD2 PRO 97 4.77 12 0.22 0.71 + ++++++ ++++* peak 3426 Upper QD TYR 52 - HD3 PRO 97 4.62 13 0.53 1.21 ++ ++++++ ++++* peak 241 Upper QD TYR 52 - QD1 ILE 100 5.07 13 0.21 0.62 ++ ++++++ +++*+ peak 3486 Upper QD TYR 52 - HD3 PRO 358 3.20 6 0.54 1.96 ++ *+ + + peak 40 Upper QD TYR 52 - QB ALA 395 3.67 20 2.64 2.97 *+++++++++++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 1.12 2.02 ++*+++++++++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 1.22 1.69 +++++++++++++++++++* peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.53 1.84 ++++++++++++++++++*+ peak 8115 Upper QE TYR 52 - QG2 THR 56 4.13 20 1.31 1.87 +++++++++++++++*++++ peak 236 Upper QE TYR 52 - HA PRO 58 3.34 16 1.63 2.66 + + +++ ++++++ ++*++ peak 46 Upper QE TYR 52 - HB2 PRO 58 3.81 14 1.62 2.70 + ++ ++++++ ++*++ peak 230 Upper QE TYR 52 - HB3 PRO 58 4.02 13 0.52 1.11 ++ ++++++ ++*++ peak 232 Upper QE TYR 52 - HG2 PRO 58 3.21 20 1.04 1.40 +++++++++++++++++*++ peak 231 Upper QE TYR 52 - QD1 LEU 96 4.57 8 0.20 0.97 *+ ++ + + + + peak 239 Upper QE TYR 52 - HG2 PRO 97 5.50 13 0.22 0.55 ++ ++++++ ++++* peak 3429 Upper QE TYR 52 - QG1 VAL 119 5.50 18 0.46 0.87 ++ +++ +++++++++++*+ peak 3975 Upper QE TYR 52 - QG2 VAL 119 4.63 16 0.40 0.74 *+ ++ ++ +++ +++++++ peak 3974 Upper QE TYR 52 - QD ARG 123 5.50 19 0.41 0.80 +++++++++++ ++++*+++ peak 4040 Upper QE TYR 52 - QB ALA 395 4.32 20 1.74 2.50 ++++*+++++++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.18 1.41 ++++++++++++++++++*+ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.37 1.63 +*++++++++++++++++++ peak 8114 Upper HB2 GLU 53 - H THR 56 4.32 17 0.26 0.55 +++ +++ ++++++ *++++ peak 815 Upper HB3 GLU 53 - H THR 56 5.13 17 0.42 0.63 +++ +*+ ++++++ +++++ peak 816 Upper HB3 GLU 53 - HB THR 56 4.86 16 0.25 0.43 ++ +++++++++*+ + ++ peak 2101 Upper QG GLU 53 - QB ALA 55 4.39 12 0.10 0.22 + ++ +* +++ ++ ++ peak 1710 Upper HA THR 56 - HG3 GLU 60 5.34 7 0.11 0.93 + *+++ ++ peak 2108 Upper HA THR 56 - HD3 PRO 358 5.50 16 0.40 1.18 ++++++++++ +++* ++ peak 2111 Upper QG2 THR 56 - HG2 GLU 60 4.37 15 0.51 1.05 + ++ ++ ++++++ +*++ peak 2231 Upper QG2 THR 56 - HG3 GLU 60 3.72 15 0.32 0.72 ++ ++ +++++++ *+++ peak 1765 Upper QG2 THR 56 - HE21 GLN 64 5.07 14 0.23 0.47 + ++ +*++++ +++++ peak 919 Upper QG2 THR 56 - HD3 PRO 358 5.06 9 0.17 0.85 *++++ + ++ + peak 1764 Upper H GLY 57 - HE22 GLN 359 4.65 11 0.88 3.17 +++++++* + ++ peak 399 Upper HA PRO 58 - H ALA 61 4.65 6 0.17 0.76 +* ++ + + peak 872 Upper HA PRO 58 - QE PHE 92 4.46 20 0.56 1.14 ++++*+++++++++++++++ peak 110 Upper HA PRO 58 - HZ PHE 92 4.91 20 1.03 1.70 *+++++++++++++++++++ peak 116 Upper HB2 PRO 58 - HZ PHE 92 3.63 6 0.34 1.44 ++ +* + + peak 168 Upper HB2 PRO 58 - HB3 LEU 96 5.50 11 0.17 0.45 +* +++++ ++++ peak 3333 HB3 LEU 96 - HG2 GLN 101 Upper HB2 PRO 58 - HA ALA 116 4.31 20 0.68 1.14 *+++++++++++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 116 4.44 8 0.28 0.90 +++*+ + + + peak 2132 Upper HB2 PRO 58 - QG1 VAL 119 4.66 13 0.25 0.67 ++ ++++++ +*+++ peak 2133 Upper HB2 PRO 58 - QG2 VAL 119 4.11 13 0.51 1.11 ++ +*++++ +++++ peak 2131 Upper HB3 PRO 58 - QE PHE 92 5.07 6 0.10 0.60 ++ +* + + peak 2175 Upper HB3 PRO 58 - QG1 VAL 119 4.38 19 0.34 0.75 *+++++ +++++++++++++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.05 13 0.36 0.83 + + +*++++ +++++ peak 2140 Upper HG2 PRO 58 - HZ PHE 92 4.20 7 0.15 0.62 ++*++ + + peak 169 Upper HD2 PRO 58 - HE21 GLN 59 5.07 8 0.20 1.52 ++ ++*+ ++ peak 846 Upper HD2 PRO 58 - QG2 VAL 119 4.84 13 0.32 0.83 *++++ +++++ +++ peak 2145 Upper HD3 PRO 58 - QG2 VAL 119 5.22 19 0.27 0.57 ++*+ +++++++++++++++ peak 2156 Upper HD3 PRO 58 - QD TYR 352 3.20 14 1.32 1.96 + ++ +++*++ +++++ peak 40 Upper HD3 PRO 58 - HA THR 356 5.50 18 0.78 1.17 +++++++ +*++++ +++++ peak 2111 Upper HD3 PRO 58 - QG2 THR 356 5.06 11 0.13 0.51 + * +++ + ++ +++ peak 1764 Upper H GLN 59 - QD1 LEU 62 3.96 6 0.51 1.77 *+ ++ + + peak 8308 H GLN 59 - QD1 LEU 362 Upper H GLN 59 - QB ALA 116 4.73 6 0.07 0.30 +*++ + + peak 840 QB ALA 116 - H GLN 359 Upper H GLN 59 - QG2 VAL 119 5.50 17 0.47 0.84 +++ +++ +*++++ +++++ peak 841 Upper H GLN 59 - HB2 LEU 362 5.50 6 0.12 0.52 ++ ++ + * peak 2295 HB2 LEU 62 - H LEU 89 HB2 LEU 62 - H ALA 116 Upper H GLN 59 - HB2 LEU 362 4.88 16 1.05 3.23 +++++++++ + ++* +++ peak 838 Upper HA GLN 59 - HG3 GLN 59 3.42 7 0.20 0.70 +++++ * + peak 2203 Upper HA GLN 59 - HE22 GLN 59 4.88 12 0.44 0.81 + ++++++ ++++* peak 867 HA GLN 59 - HE22 GLN 359 Upper HA GLN 59 - QB ALA 116 3.95 20 0.63 1.05 ++++++*+++++++++++++ peak 2197 Upper QB GLN 59 - QB ALA 116 3.23 14 1.47 2.31 + ++ ++++++ +++*+ peak 1620 Upper QB GLN 59 - H ALA 363 4.06 6 0.32 1.24 +* ++ + + peak 897 Upper HG3 GLN 59 - QB ALA 116 4.27 13 0.16 0.47 ++ ++++++ +++*+ peak 2205 Upper HG3 GLN 59 - H LEU 362 4.45 6 0.36 1.55 ++ ++ + * peak 880 Upper HE21 GLN 59 - QD1 LEU 62 4.94 11 0.30 1.12 +* ++ ++ +++ ++ peak 852 Upper HE21 GLN 59 - QB ALA 116 3.70 15 0.58 1.80 ++ +* ++++++ +++++ peak 850 Upper HE21 GLN 59 - QB ALA 363 5.50 6 0.40 1.46 ++ *+ + + peak 849 HE21 GLN 359 - QB ALA 417 Upper HE22 GLN 59 - QD1 LEU 62 5.50 9 0.15 0.53 + + +*++ +++ peak 857 QD1 LEU 62 - HE22 GLN 359 Upper HE22 GLN 59 - QB ALA 116 4.05 13 0.92 1.68 ++ ++++++ +++*+ peak 856 Upper HE22 GLN 59 - H GLY 357 4.65 18 2.11 3.14 + +++*++++++++ +++++ peak 399 Upper H GLU 60 - QB ALA 63 4.44 8 0.31 1.00 +++*+ + + + peak 863 Upper HA GLU 60 - H ALA 63 3.44 16 0.28 0.68 +++++++*++ + ++ + ++ peak 389 Upper HA GLU 60 - H GLN 64 4.20 10 0.37 1.28 +++*+ ++ + + + peak 2247 Upper QB ALA 61 - QD PHE 392 3.23 20 4.29 4.93 ++++*+++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 2.80 3.34 ++++*+++++++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 4.25 7 0.09 0.48 ++++*+ + peak 2300 Upper H LEU 62 - QE PHE 92 4.42 20 0.35 0.67 ++*+++++++++++++++++ peak 132 Upper H LEU 62 - HG3 GLN 359 4.45 14 0.88 1.60 + +* ++++++ +++++ peak 880 Upper HB2 LEU 62 - H GLN 359 4.88 19 2.43 3.62 ++++++++++++++ +*+++ peak 838 Upper HB2 LEU 62 - H GLN 359 5.50 14 0.26 0.68 + ++ ++++++ ++++* peak 2295 HB2 LEU 362 - H LEU 389 HB2 LEU 362 - H ALA 416 Upper HB3 LEU 62 - H LEU 89 4.50 15 0.37 0.89 +*++++++++ + + + ++ peak 2297 Upper HG LEU 62 - HB3 PRO 112 4.48 12 0.13 0.47 + ++++++++ + +* peak 2282 Upper HG LEU 62 - HG3 PRO 112 4.13 13 0.82 1.72 *+++++++++ + ++ peak 3779 Upper QD1 LEU 62 - HG3 GLU 113 4.54 18 0.39 1.19 ++ +++++++++++ +*+++ peak 3835 Upper QD1 LEU 62 - HA ALA 116 5.50 9 0.21 0.73 +* ++ + + ++ + peak 3885 Upper QD1 LEU 62 - QB ALA 116 3.55 6 0.12 0.57 ++ * + + + peak 8301 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 0.98 1.36 +*++++++++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 2.51 3.10 +++++++++++*++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 20 0.35 0.69 +++*++++++++++++++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 0.82 1.02 ++++*+++++++++++++++ peak 8267 Upper QD2 LEU 62 - HB2 LEU 65 5.50 12 0.24 0.64 + + + + *+++ +++ + peak 2366 Upper QD2 LEU 62 - HG LEU 65 4.50 17 1.10 2.12 + +++* +++ +++++++++ peak 2375 Upper QD2 LEU 62 - H LEU 89 5.50 11 0.28 0.79 + ++*+++ +++ + peak 1133 Upper QD2 LEU 62 - HA PRO 112 4.60 18 0.49 1.02 + +++++ ++*+++++++++ peak 3746 Upper QD2 LEU 62 - HB3 PRO 112 3.47 6 0.11 0.43 ++++ * + peak 2265 Upper QD2 LEU 62 - H GLU 113 4.84 19 0.72 1.55 +++++++++++*++++ +++ peak 1275 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.15 2.00 ++++++++++++++*+++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 1.47 1.70 +++++*++++++++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 1.18 1.70 +++++++++*++++++++++ peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 0.47 0.98 ++++++++++++++*+++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 9 0.16 0.61 ++ ++ + + *+ + peak 8268 Upper H ALA 63 - QB GLN 359 4.06 14 0.77 1.32 + ++ ++++++ *++++ peak 897 Upper QB ALA 63 - HE22 GLN 64 4.82 14 0.44 0.79 ++ ++ ++++++ +*++ peak 926 Upper QB ALA 63 - HE21 GLN 359 5.50 14 0.96 1.59 + ++ *+++++ +++++ peak 849 HE21 GLN 59 - QB ALA 117 Upper H GLN 64 - HE22 GLN 64 5.50 9 0.07 0.17 + +* +++ + ++ peak 388 Upper HA GLN 64 - HE22 GLN 64 5.50 15 0.31 0.76 +* +++++++++ ++++ peak 394 Upper HA GLN 64 - HG3 GLU 67 4.96 8 0.09 0.26 +++* ++++ peak 2453 Upper HE22 GLN 64 - QD1 LEU 68 5.50 16 0.26 0.59 *++ +++++ ++++ ++++ peak 929 Upper HB2 LEU 65 - QG1 VAL 88 3.40 10 0.26 0.78 * + ++ ++ ++++ peak 3146 Upper QD1 LEU 65 - QD PHE 92 3.91 14 0.13 0.35 + + +++ ++*+++ +++ peak 8289 Upper QD1 LEU 65 - QB ALA 95 4.77 14 0.31 0.77 + +* ++++++ +++++ peak 8168 Upper QD2 LEU 65 - H PHE 92 4.49 6 0.09 0.42 *+ + + + + peak 1171 Upper QD2 LEU 65 - HA PHE 92 4.36 7 0.07 0.26 + +++ +*+ peak 3229 Upper QD2 LEU 65 - HB3 PHE 92 4.76 14 0.29 0.68 *+++++ ++ ++++++ peak 2360 Upper QD2 LEU 65 - QB ALA 95 5.38 14 0.54 1.01 + ++ ++++++ +*+++ peak 8169 Upper HA ARG 66 - QG1 VAL 88 4.08 14 0.25 0.55 + *+++++++ +++++ peak 3845 Upper QB ARG 66 - QG1 VAL 88 3.35 14 0.17 0.43 + *+++++++ ++ +++ peak 8199 Upper QG ARG 66 - HG2 GLU 67 4.63 6 0.09 0.39 +* ++ + + peak 2456 Upper QG ARG 66 - QG1 VAL 88 4.89 9 0.11 0.41 + + + ++ *+++ peak 2412 Upper H GLU 67 - HG LEU 68 5.32 13 0.65 1.37 +++ ++ +*++++ + + peak 2527 Upper H GLU 67 - QD2 LEU 68 4.55 13 0.44 1.56 ++*++ + + ++ ++++ peak 956 Upper H GLU 67 - QD1 LEU 84 5.50 13 0.24 0.69 +*++ + ++++++ ++ peak 957 Upper H CYS 69 - QG2 VAL 88 3.66 20 0.79 1.22 ++++*+++++++++++++++ peak 8235 Upper HB2 CYS 69 - QB LEU 84 5.50 6 0.07 0.28 ++ + ++ * peak 3005 Upper HA ARG 70 - QG ARG 74 4.94 6 0.06 0.23 + + ++ * + peak 2655 Upper HG3 ARG 70 - H ARG 74 5.50 15 0.18 0.44 +++++++* ++ +++++ peak 2604 Upper QB GLN 71 - H TRP 72 3.57 9 0.08 0.24 ++ + + +++ +* peak 2632 Upper QB GLN 71 - H LEU 73 5.50 9 0.15 0.41 ++ * + +++ ++ peak 751 Upper H TRP 72 - HG LEU 73 5.50 15 0.20 0.44 ++ + ++++++++* ++ + peak 1935 Upper H TRP 72 - QD2 LEU 73 5.50 15 0.23 0.51 ++ + +++++++*+ ++ + peak 1341 Upper HB3 TRP 72 - H ARG 74 5.50 7 0.09 0.25 + + + * + + + peak 993 Upper HE1 TRP 72 - QD2 LEU 73 5.50 18 0.22 0.33 ++++ +++++*++ ++++++ peak 1791 Upper HZ2 TRP 72 - HB3 LEU 73 4.34 14 0.14 0.37 ++ + + ++++*++ ++ + peak 194 Upper HZ2 TRP 72 - QD2 LEU 73 4.74 12 0.16 0.35 ++ + + ++ +*++++ peak 198 Upper HZ2 TRP 72 - HG LEU 87 4.42 16 0.25 1.08 +++ ++ +++++ *++ +++ peak 190 Upper HH2 TRP 72 - HB3 LEU 73 4.47 12 0.14 0.31 ++++ + + *++ +++ peak 206 Upper HH2 TRP 72 - QD2 LEU 73 4.33 13 0.15 0.42 +++ + +++++ + *+ + peak 207 Upper HH2 TRP 72 - HA LEU 87 4.18 7 0.09 0.46 +* ++ +++ peak 120 Upper HA LEU 73 - QE MET 83 4.72 10 0.11 0.28 + + +*++++ + + peak 2648 Upper HB3 LEU 73 - HD3 PRO 75 5.50 16 0.18 0.35 + ++*++++++ +++ +++ peak 2681 Upper HB3 LEU 73 - HG3 MET 83 5.50 16 0.15 0.28 ++++ +*+++ +++++++ peak 1898 Upper QD1 LEU 73 - H MET 83 5.50 8 0.09 0.25 + + + +++ + * peak 1073 Upper QD1 LEU 73 - H LEU 86 5.50 20 0.44 0.59 +++++++*++++++++++++ peak 1100 Upper QD1 LEU 73 - H LEU 87 5.10 6 0.11 0.44 + + + + + * peak 1103 Upper QD1 LEU 73 - H VAL 88 5.50 17 0.37 1.14 +++ ++++++ +++++++ * peak 1124 Upper QD2 LEU 73 - QB LEU 84 4.34 14 0.17 0.36 ++ +*+++++++ ++ + peak 2938 Upper QD2 LEU 73 - H LEU 86 4.63 19 0.24 0.41 ++++*++++++++ ++++++ peak 1786 Upper QD2 LEU 73 - HG LEU 86 4.41 20 0.39 0.85 ++++++++++++++*+++++ peak 3066 Upper H ARG 74 - QG2 VAL 77 5.50 6 0.06 0.20 + + + ++ * peak 1739 Upper HD2 PRO 75 - H VAL 77 5.50 14 0.13 0.25 ++ +++ +++++++ *+ peak 304 Upper HD2 PRO 75 - QG2 VAL 77 5.50 20 0.20 0.56 ++++++++*+++++++++++ peak 1735 Upper H GLU 76 - QD1 LEU 84 5.50 10 0.13 0.50 +++ + + + + * + + peak 1008 Upper HD2 ARG 78 - H MET 83 5.50 8 0.08 0.21 + + *+ +++ + peak 1067 Upper HD3 ARG 78 - HA MET 83 5.50 14 0.14 0.33 + +++++ *+ +++++ + peak 2812 Upper H LYS 80 - QE MET 83 5.39 6 0.05 0.21 + + + *+ + peak 1650 Upper HA LYS 80 - QE MET 83 3.75 7 0.12 0.55 * + + + + ++ peak 1639 Upper HB3 LYS 80 - H GLN 82 4.22 20 0.17 0.28 +++*++++++++++++++++ peak 1060 Upper H GLU 81 - QD1 LEU 84 5.50 9 0.10 0.40 +* ++++ + + + peak 1046 Upper H GLN 82 - QG GLN 82 3.62 6 0.08 0.37 + + ++ +* peak 1056 Upper H GLN 82 - HG2 MET 83 5.50 18 0.39 0.68 + +++++++++*+++++++ peak 2982 Upper HA MET 83 - HB2 LEU 86 3.70 8 0.24 0.66 + ++ + ++ + * peak 2976 Upper HB3 MET 83 - QD2 LEU 87 5.50 15 0.20 0.44 + ++++++++++ +*++ peak 2960 Upper QE MET 83 - QD1 LEU 84 3.22 9 0.11 0.37 * +++ + + +++ peak 1636 Upper QB LEU 84 - HB VAL 88 4.68 15 0.28 0.84 ++ + +++++ *+ +++++ peak 3001 Upper QB LEU 84 - QG1 VAL 88 4.67 11 0.16 0.42 ++* ++ +++ + + + peak 2998 Upper H LEU 86 - HB2 LEU 86 2.92 10 0.29 0.68 +++ ++ + *+ + + peak 1095 Upper HB2 LEU 86 - QD2 LEU 87 3.46 11 0.20 0.77 + * +++ + ++ + ++ peak 3114 Upper QD2 LEU 86 - H LEU 87 4.06 13 0.15 0.34 *+ ++++ ++ ++++ + peak 1105 Upper H VAL 88 - HB VAL 88 3.12 8 0.12 0.38 + * ++ ++++ peak 1117 Upper QG1 VAL 88 - H GLN 91 4.72 7 0.10 0.34 + ++ * ++ + peak 1159 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.24 1.63 +++++++++++++++++*++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.39 2.10 +++++++++++++++*++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 4.21 14 0.43 1.19 + ++ +* ++ +++ + +++ peak 3149 Upper H LEU 89 - HG2 PRO 112 4.67 14 0.39 1.28 + ++*+ ++ ++ ++ +++ peak 3811 Upper H LEU 89 - HG3 PRO 112 5.50 13 0.37 0.78 +++ + + +*++++++ peak 3813 Upper HB2 LEU 89 - H GLY 110 4.87 9 0.11 0.52 *++ + + +++ + peak 1253 Upper QD1 LEU 89 - HD2 PRO 112 4.70 6 0.19 0.94 * + + + + + peak 3775 Upper QD2 LEU 89 - QD PHE 92 4.17 13 0.24 0.85 +* ++++++ + + +++ peak 3200 Upper H GLU 90 - HD3 PRO 112 5.50 6 0.09 0.39 + * + ++ + peak 411 Upper HE21 GLN 91 - QB ALA 95 4.78 6 0.07 0.37 +++ * + + peak 1720 Upper H PHE 92 - H ALA 95 5.50 11 0.13 0.31 *+ ++ + + ++ +++ peak 426 Upper H PHE 92 - QB ALA 95 5.50 17 0.29 0.70 *+++++++++ +++++++ peak 1728 Upper QD PHE 92 - QD1 LEU 96 3.90 13 0.26 0.62 ++ +++++* +++++ peak 148 Upper QD PHE 92 - QB ALA 361 3.23 20 4.09 4.78 ++*+++++++++++++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 1.30 1.55 +++++++++++++++*++++ peak 8215 Upper QE PHE 92 - QB ALA 361 3.18 20 2.49 3.31 ++*+++++++++++++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 0.81 1.17 ++*+++++++++++++++++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 4.96 12 0.22 0.55 + *+ + + +++++++ peak 182 Upper HZ PHE 92 - QD2 LEU 96 4.18 17 0.38 0.94 ++ +++++++++++*+++ peak 183 Upper HZ PHE 92 - QG2 VAL 119 3.75 11 0.18 0.50 ++ *+ ++ ++ +++ peak 181 Upper HZ PHE 92 - H ASP 120 5.50 20 0.62 1.37 ++++*+++++++++++++++ peak 628 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 2.32 3.13 ++++*+++++++++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.02 7 0.10 0.44 * + ++ ++ + peak 3357 Upper HA LEU 93 - HE22 GLN 105 5.50 14 0.12 0.25 ++ + + ++++++*+ ++ peak 521 Upper QD2 LEU 93 - HD3 PRO 109 4.93 7 0.06 0.19 + ++ + + + * peak 3276 Upper H ALA 95 - H LEU 96 3.21 6 0.08 0.49 * + + +++ peak 445 Upper H ALA 95 - QD2 LEU 96 5.50 8 0.07 0.27 * + ++++ ++ peak 1112 Upper QB ALA 95 - QD PHE 350 3.01 20 5.47 5.93 +*++++++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 3.61 4.26 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 0.86 1.22 ++*+++++++++++++++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.60 3.00 ++*+++++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 1.82 2.54 ++*+++++++++++++++++ peak 8176 Upper H LEU 96 - H GLN 101 5.50 12 0.12 0.32 +* +++ + ++ +++ + peak 468 Upper HB2 LEU 96 - HE22 GLN 101 5.50 6 0.05 0.20 *+ ++ + + peak 1206 Upper HB3 LEU 96 - QD TYR 352 5.50 20 0.87 1.85 *+++++++++++++++++++ peak 8340 Upper QD1 LEU 96 - HA VAL 104 5.50 20 0.45 0.71 +++++*++++++++++++++ peak 3590 Upper QD1 LEU 96 - H GLN 105 5.50 6 0.06 0.27 * + +++ + peak 3359 Upper QD2 LEU 96 - HG2 PRO 97 5.50 14 0.16 0.52 + +* ++++++ +++++ peak 3411 Upper QD2 LEU 96 - HG3 PRO 97 5.50 7 0.14 0.55 ++++ ++ * peak 3410 Upper QD2 LEU 96 - QG2 ILE 100 3.83 9 0.17 0.90 + +* +++ ++ + peak 3465 Upper QD2 LEU 96 - HB3 GLN 101 5.50 19 0.29 0.57 +++++*+ ++++++++++++ peak 4064 Upper QD2 LEU 96 - HE21 GLN 101 5.50 9 0.11 0.32 + + ++++* ++ peak 1202 Upper QD2 LEU 96 - QD TYR 352 3.68 20 0.93 1.72 +++++++*++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.14 1.86 +*++++++++++++++++++ peak 8182 Upper HD2 PRO 97 - HB ILE 100 5.50 10 0.38 0.86 + ++*+++ ++ + peak 3483 Upper HD2 PRO 97 - HE21 GLN 101 5.50 20 0.23 0.36 ++++++++++++++++*+++ peak 3428 Upper HD3 PRO 97 - HB ILE 100 4.23 10 0.12 0.36 + ++*+++ ++ + peak 3378 Upper HB ILE 100 - HB2 GLN 101 4.62 10 0.10 0.30 + +++++* ++ + peak 3456 Upper QG2 ILE 100 - H VAL 104 4.96 12 0.22 0.50 + +++++*+++ ++ peak 1676 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.21 1.77 ++++++++++++++*+++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.41 1.60 ++++++++++++++++*+++ peak 8114 Upper H GLN 101 - HE22 GLN 101 5.50 19 0.18 0.35 ++ ++++++++++*++++++ peak 482 Upper HA GLN 101 - HE22 GLN 101 5.50 20 0.22 0.31 ++++++*+++++++++++++ peak 477 Upper HA ALA 102 - HE22 GLN 105 5.50 17 0.17 0.27 +++++ ++ +++++*++ ++ peak 497 Upper QB ALA 102 - HE21 GLN 105 5.50 14 0.15 0.36 +++ +++*+ + + ++ ++ peak 1223 Upper H ARG 108 - HG2 PRO 109 5.50 16 0.22 0.38 ++ +++ +++++++*++ + peak 1247 Upper HA PRO 109 - H ALA 115 4.98 10 0.12 0.71 + +* + +++ +++ peak 573 Upper HD2 PRO 109 - QB ALA 115 4.43 7 0.08 0.30 + +* + +++ peak 1686 Upper HD2 PRO 109 - QD2 LEU 118 5.43 6 0.05 0.15 ++ + * ++ peak 3939 Upper H GLY 110 - H GLU 114 5.50 20 0.42 0.59 +++++++++++*++++++++ peak 539 Upper H GLY 110 - HG2 GLU 114 5.50 11 0.13 0.38 + ++ + ++ + + + *+ peak 1252 Upper H SER 111 - HG3 GLU 114 5.50 11 0.12 0.26 +*++ + ++++ + + peak 3863 Upper HB3 SER 111 - QB GLU 114 5.19 6 0.10 0.45 * +++ + + peak 3738 Upper HB2 PRO 112 - H GLU 114 5.50 6 0.08 0.26 ++ +* + + peak 3807 Upper HB2 PRO 112 - QD1 LEU 362 4.16 18 0.50 0.79 +++++*+++++ +++ ++++ peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 0.91 1.18 +++++++++++++++++++* peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 0.50 0.88 +++++++++++++++*++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 15 0.23 0.59 + ++ +*++++++++++ peak 8268 Upper H GLU 113 - HA GLU 114 5.21 11 0.10 0.22 ++ ++* ++ +++ + peak 3875 Upper HG2 GLU 113 - QB ALA 116 5.50 19 0.33 0.51 +++++++ ++++++++++*+ peak 3838 Upper H GLU 114 - QD2 LEU 118 5.50 6 0.06 0.26 * + + + + + peak 1278 Upper HG3 GLU 114 - QD1 LEU 118 4.50 8 0.10 0.27 ++ * + + + + + peak 3876 HG3 GLU 114 - QD2 LEU 118 Upper HB VAL 119 - H ASP 120 3.89 6 0.09 0.30 + + + + *+ peak 805 Upper HB VAL 119 - QD ARG 123 4.81 9 0.10 0.34 ++*++ + ++ + peak 4028 Upper QG2 VAL 119 - QD ARG 123 4.24 9 0.12 0.40 + ++ ++ * +++ peak 1756 Upper HB3 ASP 120 - H LEU 122 5.50 7 0.08 0.24 + * + + + ++ peak 1323 Upper QA GLY 121 - HB3 LEU 122 5.50 13 0.11 0.18 + + *+++++ +++ ++ peak 3608 Upper HA PRO 340 - HD1 TRP 372 4.07 6 0.09 0.26 + *++ + + peak 51 Upper QB ALA 343 - HG LEU 368 3.84 18 0.57 0.97 +*++ ++ ++++++++++++ peak 1528 Upper QB ALA 343 - HD1 TRP 372 4.73 20 0.47 0.77 +*++++++++++++++++++ peak 1651 Upper H ARG 344 - HD2 ARG 344 5.50 10 0.10 0.21 *++ + + ++++ + peak 705 Upper H LEU 345 - HG LEU 345 3.23 11 0.36 1.02 +* +++ + + + + + + peak 686 Upper H LEU 345 - QD2 LEU 345 3.88 7 0.14 0.38 ++ + + + * + peak 690 Upper HB3 LEU 345 - H ARG 346 3.70 7 0.07 0.24 *+ + + + + + peak 667 Upper H ARG 346 - QD2 LEU 368 4.30 16 0.35 1.03 ++ +*+++ +++ +++ +++ peak 668 Upper QD PHE 347 - QG1 VAL 388 5.50 18 0.46 0.79 ++++ +++++++*++++++ peak 2761 Upper HZ PHE 347 - QD2 LEU 365 4.69 9 0.10 0.33 ++ +++ + *++ peak 291 Upper HZ PHE 347 - H CYS 369 5.50 11 0.11 0.43 + *++ ++++ ++ + peak 86 Upper HZ PHE 347 - QD1 LEU 387 4.42 14 0.18 0.47 + + ++++ + *+ +++++ peak 8274 Upper HZ PHE 347 - QG2 VAL 388 4.20 14 0.21 0.48 *+++++ ++ + + ++++ peak 294 Upper HB2 PHE 350 - QB ALA 395 5.50 18 0.35 0.60 ++ +++ ++++++++*++++ peak 2012 Upper HB3 PHE 350 - QD1 LEU 368 5.42 10 0.17 0.62 ++ ++ ++ + +* + peak 2498 Upper QD PHE 350 - H HIS 351 3.77 6 0.09 0.27 * ++ + + + peak 75 Upper QD PHE 350 - HB2 GLN 364 4.36 13 0.33 0.98 ++ +*+++ ++ ++ ++ peak 275 Upper QD PHE 350 - QD2 LEU 365 3.53 20 0.21 0.34 ++++*+++++++++++++++ peak 281 Upper QD PHE 350 - QD1 LEU 368 3.89 12 0.24 0.60 ++ ++ + +++ ++* + peak 2510 Upper QD PHE 350 - HA PHE 392 4.65 14 0.35 0.95 + ++ ++++++ ++++* peak 3240 Upper QE PHE 350 - H GLU 353 5.50 20 0.58 0.99 ++++++++++++++++++*+ peak 797 Upper QE PHE 350 - H LEU 362 5.22 8 0.11 0.40 + + + + ++ +* peak 78 Upper QE PHE 350 - HB2 GLN 364 4.58 16 0.28 0.66 ++ +++ +++++++ *++ + peak 264 Upper QE PHE 350 - QD2 LEU 365 4.63 17 0.25 0.47 ++++++ ++ +++*+++++ peak 272 Upper H HIS 351 - HD2 HIS 351 4.38 10 0.19 0.96 ++ ++ ++ * + + + peak 320 Upper H HIS 351 - QB ALA 395 5.50 20 0.46 0.90 ++++*+++++++++++++++ peak 787 Upper HA HIS 351 - QB ALA 395 4.60 14 0.16 0.57 +++*++++ + ++ +++ peak 1718 Upper HE1 HIS 351 - QG GLU 353 4.11 18 0.28 0.61 ++ +++ ++*++++++++++ peak 258 Upper H TYR 352 - HG LEU 396 5.22 20 0.71 1.32 ++++++++++++++*+++++ peak 793 Upper HA TYR 352 - QB ALA 395 4.53 13 0.24 1.38 + + *+ ++++++ +++ peak 1717 Upper QD TYR 352 - QD1 LEU 396 4.32 14 0.19 0.81 + *++++ ++++++ ++ peak 251 Upper QD TYR 352 - QD2 LEU 396 3.76 6 0.08 0.33 + +++ +* peak 252 Upper QD TYR 352 - HD3 PRO 397 4.62 6 0.17 0.73 ++ *+ + + peak 241 Upper QE TYR 352 - QG2 THR 356 4.13 20 1.05 1.98 ++++++++++++++*+++++ peak 236 Upper QE TYR 352 - HA PRO 358 3.34 18 0.77 2.61 ++++++++++++++*+++ peak 46 Upper QE TYR 352 - HB2 PRO 358 3.81 6 0.57 2.51 ++ ++ + * peak 230 Upper QE TYR 352 - HG2 PRO 358 3.21 20 0.86 1.14 ++*+++++++++++++++++ peak 231 Upper QE TYR 352 - QD1 LEU 396 4.57 13 0.18 1.02 * ++ ++++++ ++++ peak 239 Upper QE TYR 352 - HG2 PRO 397 5.50 6 0.09 0.38 ++ ++ * + peak 3429 Upper QE TYR 352 - QG1 VAL 419 5.50 18 0.44 0.61 +++ +*+++++++++++++ peak 3975 Upper QE TYR 352 - QG2 VAL 419 4.63 17 0.53 0.79 ++ ++++++++++++++* peak 3974 Upper QE TYR 352 - QD ARG 423 5.50 20 0.36 0.88 ++*+++++++++++++++++ peak 4040 Upper HB2 GLU 353 - H THR 356 4.32 9 0.15 0.50 *++++ ++ + + peak 815 Upper HB3 GLU 353 - H THR 356 5.13 10 0.23 0.67 *++++ ++ + + + peak 816 Upper HB3 GLU 353 - HB THR 356 4.86 10 0.14 0.36 ++++ ++ + + + * peak 2101 Upper QG2 THR 356 - HG2 GLU 360 4.37 11 0.20 0.86 + ++++ + + +*++ peak 2231 Upper QG2 THR 356 - HE21 GLN 364 5.07 8 0.13 0.48 ++ +*+ + + + peak 919 Upper HA PRO 358 - H ALA 361 4.65 9 0.16 0.58 + ++ +++ + +* peak 872 Upper HA PRO 358 - QE PHE 392 4.46 20 0.71 1.13 +++++++++*++++++++++ peak 110 Upper HA PRO 358 - HZ PHE 392 4.91 20 1.09 1.76 ++*+++++++++++++++++ peak 116 Upper HB2 PRO 358 - HZ PHE 392 3.63 14 0.55 1.44 * ++ ++++++ +++++ peak 168 Upper HB2 PRO 358 - HA ALA 416 4.31 20 0.84 1.29 +++++++++*++++++++++ peak 8259 Upper HB2 PRO 358 - QB ALA 416 4.44 15 0.50 1.04 + +++ +*++++ +++++ peak 2132 Upper HB3 PRO 358 - QE PHE 392 5.07 8 0.11 0.57 * ++ ++ + ++ peak 2175 Upper HB3 PRO 358 - QG1 VAL 419 4.38 19 0.36 0.53 +++++++++++*+++++++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.05 16 0.19 0.70 ++++++ +++ +++*+++ peak 2140 Upper HG2 PRO 358 - QE PHE 392 4.31 12 0.12 0.29 + ++ ++ +++ ++*+ peak 157 QE PHE 392 - HB VAL 419 Upper HG2 PRO 358 - HZ PHE 392 4.20 14 0.30 0.66 + +++ *+ +++ +++++ peak 169 Upper HD2 PRO 358 - HE21 GLN 359 5.07 16 0.31 1.37 ++ ++++*+++++++++ peak 846 Upper HD2 PRO 358 - QG2 VAL 419 4.84 15 0.21 0.35 * +++ ++++++ +++++ peak 1760 HA LEU 396 - QG2 VAL 419 Upper HD2 PRO 358 - QG2 VAL 419 4.84 19 0.59 0.81 *++ ++++++++++++++++ peak 2145 Upper HD3 PRO 358 - HE21 GLN 359 4.41 14 0.20 0.88 + + + ++*+++ +++++ peak 843 Upper HD3 PRO 358 - QG2 VAL 419 5.22 16 0.19 0.58 + +*+++++++++++ ++ peak 2156 Upper H GLN 359 - QD1 LEU 362 3.96 15 1.14 1.73 + +++ +*++++ +++++ peak 8308 QD1 LEU 62 - H GLN 359 Upper H GLN 359 - QB ALA 416 4.73 12 0.11 0.30 + +++ +*+++ + ++ peak 840 H GLN 59 - QB ALA 416 Upper H GLN 359 - QG2 VAL 419 5.50 13 0.19 0.71 +++*+ ++++ +++ + peak 841 Upper HA GLN 359 - HG3 GLN 359 3.42 13 0.23 0.69 +++ +++ + + +++*+ peak 2203 Upper HA GLN 359 - H LEU 362 4.05 11 0.12 0.28 ++ + +++ +*+++ peak 2215 Upper HA GLN 359 - QB ALA 416 3.95 16 0.35 0.91 +++*+++++++ +++ ++ peak 2197 Upper QB GLN 359 - QB ALA 416 3.23 15 0.74 2.18 ++ ++ *++++++++++ peak 1620 Upper HG3 GLN 359 - H GLU 360 4.14 13 0.18 0.32 +* ++++++ +++++ peak 2220 HG3 GLN 59 - H GLU 360 Upper HE21 GLN 359 - QD1 LEU 362 4.94 15 0.57 1.88 + ++++*++++ +++++ peak 852 Upper HE21 GLN 359 - QB ALA 416 3.70 6 0.13 0.78 + +++ * + peak 850 Upper H GLU 360 - QB ALA 363 4.44 17 0.65 0.96 +++ *++ ++++++ +++++ peak 863 Upper HA GLU 360 - H ALA 363 3.44 20 0.54 0.76 ++++++++*+++++++++++ peak 389 Upper HA GLU 360 - H GLN 364 4.20 17 0.82 1.46 +++ +++ ++++++ ++++* peak 2247 Upper HB3 GLU 360 - HE21 GLN 364 5.07 9 0.12 0.38 + ++ + ++ +*+ peak 916 Upper HG2 GLU 360 - H GLN 364 5.17 6 0.08 0.32 + + + + *+ peak 2244 Upper HG3 GLU 360 - HE22 GLN 364 4.08 9 0.10 0.34 ++ + ++++ + * peak 923 Upper H ALA 361 - H LEU 362 3.09 6 0.05 0.23 + + *++ + peak 177 Upper H ALA 361 - H ALA 363 4.14 7 0.08 0.27 ++ + +++* peak 178 Upper HA ALA 361 - HG3 GLN 364 4.32 6 0.07 0.38 *+ + + + + peak 2349 Upper H LEU 362 - HG LEU 362 4.25 10 0.19 0.49 ++ ++ + + + +* + peak 2300 Upper H LEU 362 - H ALA 363 3.16 6 0.05 0.14 + + ++*+ peak 176 Upper H LEU 362 - HG2 GLN 364 5.50 7 0.11 1.05 + ++ + ++* peak 879 Upper H LEU 362 - QE PHE 392 4.42 20 0.48 0.71 +++++++++++++++++++* peak 132 Upper HB3 LEU 362 - H LEU 389 4.50 19 0.58 1.21 ++++++++++++++ ++++* peak 2297 Upper HG LEU 362 - HG3 PRO 412 4.13 10 0.70 1.60 * ++ + + ++ +++ peak 3779 Upper QD1 LEU 362 - HG3 GLU 413 4.54 18 0.30 0.68 +++++++++ ++ +*+++++ peak 3835 Upper QD1 LEU 362 - HA ALA 416 5.50 16 0.44 0.81 ++ ++++++*++ +++++ peak 3885 Upper QD1 LEU 362 - QB ALA 416 3.55 13 0.21 0.49 ++ + * ++++ +++++ peak 8301 Upper QD2 LEU 362 - HG LEU 365 4.50 15 0.76 1.93 ++++ ++* +++++++ + peak 2375 Upper QD2 LEU 362 - H LEU 389 5.50 6 0.13 0.66 ++ ++ + * peak 1133 Upper QD2 LEU 362 - HB2 PHE 392 5.50 15 0.20 0.85 ++ +*+ +++++++ ++ + peak 3238 Upper QD2 LEU 362 - HA PRO 412 4.60 18 0.43 1.01 ++ *++++++++++++++ + peak 3746 Upper QD2 LEU 362 - HB3 PRO 412 3.47 6 0.08 0.38 ++ *+ + + peak 2265 Upper QD2 LEU 362 - H GLU 413 4.84 20 0.85 1.50 +++++++*++++++++++++ peak 1275 Upper QB ALA 363 - HE22 GLN 364 4.82 17 0.43 0.76 ++++*++++ +++++ +++ peak 926 Upper HA GLN 364 - HE22 GLN 364 5.50 19 0.49 0.75 +++++*+++++++++++++ peak 394 Upper HE22 GLN 364 - QD1 LEU 368 5.50 10 0.16 0.47 +*+++ + ++ + + peak 929 Upper HB2 LEU 365 - QG1 VAL 388 3.40 13 0.20 0.60 ++* + +++++ ++++ peak 3146 Upper HB3 LEU 365 - H GLU 367 4.89 6 0.08 0.34 + + + *++ peak 954 Upper QD1 LEU 365 - QD PHE 392 3.91 6 0.07 0.18 ++++ +* peak 8289 Upper QD1 LEU 365 - QB ALA 395 4.77 6 0.11 0.47 ++ ++ * + peak 8168 Upper QD1 LEU 365 - HB3 PRO 412 4.30 6 0.05 0.20 ++ + * + + peak 3795 QD2 LEU 389 - HB3 PRO 412 Upper QD2 LEU 365 - H PHE 392 4.49 14 0.17 0.37 + + + ++++++ *++++ peak 1171 Upper QD2 LEU 365 - HB3 PHE 392 4.76 20 0.39 0.66 ++*+++++++++++++++++ peak 2360 Upper QD2 LEU 365 - QB ALA 395 5.38 6 0.21 0.89 ++ ++ + * peak 8169 Upper HA ARG 366 - QG1 VAL 388 4.08 10 0.16 0.44 ++ +* ++ +++ + peak 3845 Upper QB ARG 366 - H VAL 388 5.50 6 0.06 0.37 + * + + + + peak 2448 Upper QG ARG 366 - HG2 GLU 367 4.63 13 0.17 0.51 ++ +*++++ +++++ peak 2456 Upper H GLU 367 - HG LEU 368 5.32 8 0.45 1.43 * + + + ++ + + peak 2527 Upper H GLU 367 - QD2 LEU 368 4.55 15 0.57 1.21 +++*+++++++ + ++ + peak 956 Upper H GLU 367 - QD1 LEU 384 5.50 16 0.22 0.43 +++ + ++*+++++++++ peak 957 Upper H CYS 369 - QG2 VAL 388 3.66 20 0.76 1.17 +*++++++++++++++++++ peak 8235 Upper HB2 CYS 369 - QB LEU 384 5.50 7 0.08 0.46 ++ + *++ + peak 3005 Upper HB3 CYS 369 - HB3 LEU 373 5.42 7 0.07 0.36 + + *+ ++ + peak 2559 Upper HG3 ARG 370 - H ARG 374 5.50 13 0.17 0.43 + ++ +++++* + +++ peak 2604 Upper H TRP 372 - HG LEU 373 5.50 16 0.26 0.41 +++++++++*+ +++ + + peak 1935 Upper H TRP 372 - QD2 LEU 373 5.50 16 0.27 0.41 +++++++*+++ +++ + + peak 1341 Upper HB3 TRP 372 - H ARG 374 5.50 8 0.09 0.33 + ++ ++* + + peak 993 Upper HE1 TRP 372 - QD2 LEU 373 5.50 16 0.22 0.40 + ++ +*++ + ++++++++ peak 1791 Upper HZ2 TRP 372 - HB3 LEU 373 4.34 14 0.15 0.29 + + +++* +++++ +++ peak 194 Upper HZ2 TRP 372 - QD2 LEU 373 4.74 10 0.14 0.36 + ++ + + +++*+ peak 198 Upper HZ2 TRP 372 - HG LEU 387 4.42 10 0.24 1.18 * ++ + +++ + + + peak 190 Upper HZ2 TRP 372 - QD2 LEU 387 3.92 9 0.08 0.29 + ++ + ++ + * + peak 8227 Upper HH2 TRP 372 - HB3 LEU 373 4.47 11 0.12 0.29 + +++ + *+ ++++ peak 206 Upper HH2 TRP 372 - QD2 LEU 373 4.33 10 0.13 0.29 +++++ +* + + + peak 207 Upper HH2 TRP 372 - HA LEU 387 4.18 6 0.07 0.23 + + +* + + peak 120 Upper HA LEU 373 - QE MET 383 4.72 14 0.14 0.28 + ++++*+++ +++ + + peak 2648 Upper HB3 LEU 373 - HD3 PRO 375 5.50 15 0.19 0.51 ++ ++++ +++ ++++*+ peak 2681 Upper HB3 LEU 373 - HG3 MET 383 5.50 16 0.17 0.27 +++ + ++++++ + +++*+ peak 1898 Upper QD1 LEU 373 - H MET 383 5.50 7 0.07 0.26 + * +++ + + peak 1073 Upper QD1 LEU 373 - H LEU 386 5.50 19 0.40 0.59 ++++++++++*+++++++ + peak 1100 Upper QD1 LEU 373 - H VAL 388 5.50 14 0.26 0.90 + + + ++ ++*++ ++ ++ peak 1124 Upper QD2 LEU 373 - QB LEU 384 4.34 13 0.18 0.40 + +*+ +++ + +++ + + peak 2938 Upper QD2 LEU 373 - H LEU 386 4.63 20 0.23 0.45 +++++++++++*++++++++ peak 1786 Upper QD2 LEU 373 - HG LEU 386 4.41 19 0.30 0.77 + ++++++++++++++*+++ peak 3066 Upper H ARG 374 - QG2 VAL 377 5.50 6 0.05 0.13 + ++ * ++ peak 1739 Upper HD2 PRO 375 - H VAL 377 5.50 13 0.13 0.23 + +++ ++ ++ +++ + * peak 304 Upper HD2 PRO 375 - QG2 VAL 377 5.50 20 0.26 0.58 ++++++++++++++++++*+ peak 1735 Upper HD2 ARG 378 - QD1 LEU 386 5.50 8 0.07 0.22 + + + + + +* + peak 2809 Upper HD3 ARG 378 - HA MET 383 5.50 14 0.12 0.16 ++++ + +++++++*+ peak 2812 Upper HB3 LYS 380 - H GLN 382 4.22 19 0.19 0.29 ++++++++++++++*+ +++ peak 1060 Upper HB3 LYS 380 - QD1 LEU 384 4.84 9 0.09 0.30 ++ ++ +++*+ peak 2849 Upper H GLU 381 - QD1 LEU 384 5.50 14 0.15 0.29 +++++++ + ++ + +*+ peak 1046 Upper H GLN 382 - QG GLN 382 3.62 11 0.15 0.39 ++ + + +*+ ++ ++ peak 1056 Upper H GLN 382 - HG2 MET 383 5.50 19 0.44 0.60 ++++++++++++++++++ * peak 2982 Upper HA MET 383 - HB2 LEU 386 3.70 6 0.19 0.66 + ++ + * + peak 2976 Upper HB3 MET 383 - QD2 LEU 387 5.50 18 0.24 0.47 +++++++++++ ++++ +*+ peak 2960 Upper QE MET 383 - QD1 LEU 384 3.22 6 0.08 0.31 + + + + + * peak 1636 Upper HA LEU 384 - QD2 LEU 387 4.33 7 0.11 0.57 + ++ + * + + peak 3124 Upper QB LEU 384 - HB VAL 388 4.68 14 0.28 0.96 +++ + +*++++ + +++ peak 3001 Upper QB LEU 384 - QG1 VAL 388 4.67 13 0.16 0.37 ++++++ ++ + * +++ peak 2998 Upper H LEU 386 - HB2 LEU 386 2.92 8 0.24 0.67 * ++ + + + ++ peak 1095 Upper HB2 LEU 386 - QD2 LEU 387 3.46 12 0.26 0.92 ++++ + +*+ ++++ peak 3114 Upper QD2 LEU 386 - H LEU 387 4.06 8 0.10 0.27 + ++++* + + peak 1105 Upper H VAL 388 - HB VAL 388 3.12 6 0.11 0.40 + ++* + + peak 1117 Upper QG1 VAL 388 - H GLN 391 4.72 10 0.11 0.26 ++ + + ++* +++ peak 1159 Upper QG2 VAL 388 - HG2 PRO 412 4.21 8 0.11 0.47 + ++++*+ + peak 3149 Upper H LEU 389 - HG3 PRO 412 5.50 19 0.46 0.74 ++*+++++ +++++++++++ peak 3813 Upper HB2 LEU 389 - H GLY 410 4.87 12 0.17 0.72 ++* + + +++ +++ + peak 1253 Upper QD1 LEU 389 - HD2 PRO 412 4.70 8 0.34 1.00 + + ++ + *++ peak 3775 Upper QD2 LEU 389 - QD PHE 392 4.17 13 0.31 1.26 *++ + ++ +++++ ++ peak 3200 Upper H GLU 390 - HD3 PRO 412 5.50 6 0.10 0.39 * + + + ++ peak 411 Upper HE21 GLN 391 - QB ALA 395 4.78 10 0.13 0.42 + + +++ +++*+ peak 1720 Upper H PHE 392 - H ALA 395 5.50 13 0.12 0.32 +++ *++ ++ +++++ peak 426 Upper H PHE 392 - QB ALA 395 5.50 19 0.29 0.69 ++*+++++++++++ +++++ peak 1728 Upper QD PHE 392 - QD1 LEU 396 3.90 6 0.12 0.56 ++ ++ + * peak 148 Upper QD PHE 392 - QG1 VAL 419 4.39 6 0.06 0.41 * + + ++ + peak 151 Upper HZ PHE 392 - QD1 LEU 396 4.96 15 0.23 0.43 ++ *+++++ ++++ + ++ peak 182 Upper HZ PHE 392 - QD2 LEU 396 4.18 13 0.28 0.87 ++ +++++++ * + ++ peak 183 Upper HZ PHE 392 - H ASP 420 5.50 20 0.61 1.03 ++*+++++++++++++++++ peak 628 Upper H LEU 393 - QD1 LEU 396 5.02 8 0.12 0.64 ++ +* + + ++ peak 3357 Upper HA LEU 393 - HE22 GLN 405 5.50 12 0.11 0.28 + ++ ++ + + ++ +*+ peak 521 Upper H ALA 395 - QD2 LEU 396 5.50 6 0.06 0.32 *+++ + + peak 1112 Upper H LEU 396 - H GLN 401 5.50 10 0.10 0.26 +*++ ++ + ++ + peak 468 Upper HB2 LEU 396 - HG3 GLN 401 5.50 12 0.12 0.25 ++ +++++ ++*++ peak 4090 Upper HB2 LEU 396 - HE22 GLN 401 5.50 12 0.09 0.18 ++ ++*++ +++++ peak 1206 Upper QD1 LEU 396 - HA VAL 404 5.50 19 0.34 0.61 +++* +++++++++++++++ peak 3590 Upper QD2 LEU 396 - HG2 PRO 397 5.50 6 0.07 0.29 ++ +* + + peak 3411 Upper QD2 LEU 396 - HG3 PRO 397 5.50 13 0.32 0.58 ++ +++*++ +++++ peak 3410 Upper QD2 LEU 396 - HB3 GLN 401 5.50 18 0.23 0.56 +++*++++++++++++++ peak 4064 Upper HD2 PRO 397 - HB ILE 400 5.50 13 0.25 0.76 ++ * +++ ++++++ + peak 3483 Upper HD2 PRO 397 - HE21 GLN 401 5.50 20 0.20 0.25 +++++++++++++++++++* peak 3428 Upper QG2 ILE 400 - H GLN 401 4.15 6 0.06 0.13 ++ + +* + peak 1677 Upper QG2 ILE 400 - H VAL 404 4.96 16 0.21 0.55 ++ ++++* ++++++ +++ peak 1676 Upper QG2 ILE 400 - H LEU 422 4.99 7 0.09 0.45 ++ + * + + + peak 1675 Upper QD1 ILE 400 - HA VAL 419 5.50 6 0.06 0.34 + ++ + * + peak 2730 Upper H GLN 401 - HE22 GLN 401 5.50 20 0.17 0.22 ++*+++++++++++++++++ peak 482 Upper HA GLN 401 - HE22 GLN 401 5.50 19 0.17 0.26 ++++++++++++++*++++ peak 477 Upper HA ALA 402 - HE22 GLN 405 5.50 13 0.14 0.25 + +++* + + +++ +++ peak 497 Upper QB ALA 402 - HE21 GLN 405 5.50 12 0.17 0.35 ++ + ++++ + +*+ + peak 1223 Upper H ARG 408 - HG2 PRO 409 5.50 19 0.28 0.52 ++++++++*++++++ ++++ peak 1247 Upper H GLY 410 - H GLU 414 5.50 20 0.32 0.59 +++*++++++++++++++++ peak 539 Upper H GLY 410 - HG2 GLU 414 5.50 8 0.10 0.26 +++ ++ ++* peak 1252 Upper HB2 PRO 412 - H GLU 414 5.50 9 0.09 0.30 ++ +* +++ ++ peak 3807 Upper HG2 GLU 413 - QB ALA 416 5.50 16 0.25 0.55 +*+ +++++++++++ ++ peak 3838 Upper HG3 GLU 414 - QD1 LEU 418 4.50 12 0.12 0.28 + + + +++++ +++* peak 3876 HG3 GLU 414 - QD2 LEU 418 Upper HB VAL 419 - QD ARG 423 4.81 7 0.08 0.31 + *++ ++ + peak 4028 Upper QG2 VAL 419 - QD ARG 423 4.24 10 0.10 0.32 +* ++ + + + +++ peak 1756 Upper HB3 ASP 420 - H LEU 422 5.50 7 0.09 0.35 * + + + ++ + peak 1323 Upper QA GLY 421 - HB3 LEU 422 5.50 12 0.10 0.16 ++ + ++*++ + ++ + peak 3608 Upper HA LEU 422 - QD2 LEU 422 2.75 7 0.27 0.79 + * + ++ + + peak 934 VdW O ALA 43 - N PHE 47 2.75 6 0.15 0.29 + + + *+ + VdW O LEU 45 - HB2 CYS 49 2.30 7 0.18 0.32 ++ *+ + + + VdW HB2 PHE 47 - HB3 LEU 68 2.00 10 0.20 0.36 ++ ++++++ * + VdW CE1 PHE 47 - HG LEU 65 2.60 6 0.08 0.36 + * + + + + VdW HZ PHE 47 - O LEU 87 2.30 9 0.16 0.35 + ++++++ + * VdW O PHE 47 - HG2 GLN 91 2.30 15 0.26 0.52 ++ +++++++++ +*+ + VdW HA ARG 48 - CD GLN 91 2.50 9 0.16 0.50 ++++*+ + + + VdW HB3 PHE 50 - NE2 GLN 91 2.45 9 0.18 0.54 + * ++ + ++++ VdW HE1 PHE 50 - O GLY 57 2.30 8 0.19 0.55 + ++ + + ++* VdW CZ PHE 50 - HB3 GLU 60 2.60 16 0.27 0.45 *++ +++ + +++++++++ VdW HZ PHE 50 - CB GLU 60 2.60 10 0.16 0.34 * ++ + + + ++ ++ VdW HZ PHE 50 - HB3 GLU 60 2.00 8 0.18 0.49 + * + + + ++ + VdW HZ PHE 50 - CG GLU 60 2.60 17 0.31 0.45 +++ *++++++++ +++++ VdW HZ PHE 50 - CD GLU 60 2.50 6 0.14 0.49 + *+ + + + VdW HE2 PHE 50 - O GLY 57 2.30 6 0.15 0.56 + +++ +* VdW CD2 PHE 50 - CB ALA 61 3.20 8 0.13 0.36 + + + +++ *+ VdW CG HIS 51 - C HIS 51 2.90 8 0.19 0.24 +*+++ + + + VdW CG HIS 51 - O HIS 51 2.90 19 0.36 0.51 +++++++*+++++++ ++++ VdW N TYR 52 - O ALA 95 2.75 6 0.11 0.41 *+ ++ + + VdW CA TYR 52 - HB THR 56 2.60 13 0.22 0.43 ++ *+ ++++++++ + VdW HA TYR 52 - CB THR 56 2.60 17 0.40 0.62 + + +++ ++++*+++++++ VdW HA TYR 52 - HB THR 56 2.00 18 0.46 0.73 +++ +++ ++++*+++++++ VdW HA TYR 52 - CG2 THR 56 2.60 15 0.35 0.55 + + +++ *++++++ + ++ VdW CB TYR 52 - O GLY 57 2.90 6 0.12 0.54 ++ +* + + VdW HB2 TYR 52 - C THR 56 2.50 12 0.24 0.51 + *++ + + + +++++ VdW HB2 TYR 52 - N GLY 57 2.45 12 0.27 0.59 + ++ ++*+++ + ++ VdW HB2 TYR 52 - CA GLY 57 2.60 11 0.17 0.44 ++ ++++ *++++ VdW HB3 TYR 52 - CB ALA 95 2.60 7 0.10 0.34 + + + + *++ VdW HB3 TYR 52 - HB2 ALA 95 2.00 6 0.11 0.45 + + *+++ VdW HB3 TYR 52 - O ALA 95 2.30 6 0.10 0.53 ++ +* + + VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 +++++++++++++*++++++ VdW CG TYR 52 - CA GLY 57 3.20 8 0.15 0.38 *+ +++ + ++ VdW CG TYR 52 - HA2 GLY 57 2.60 11 0.21 0.48 *+ + ++ + +++++ VdW CG TYR 52 - C GLY 57 3.10 6 0.11 0.49 ++ +* + + VdW CD1 TYR 52 - C TYR 52 3.10 10 0.16 0.40 + ++ ++ *++++ VdW CD1 TYR 52 - N GLY 57 3.05 7 0.20 0.73 ++ + * + + + VdW CD1 TYR 52 - H GLY 57 2.55 6 0.18 0.95 *++ +++ VdW CD1 TYR 52 - HD2 PRO 358 2.60 10 0.13 0.32 + ++ ++ ++*++ VdW CE1 TYR 52 - HA2 GLY 357 2.60 10 0.17 0.41 +++++ +*+++ VdW CE1 TYR 52 - CD PRO 358 3.20 10 0.14 0.39 + ++ ++ ++*++ VdW CE1 TYR 52 - HD2 PRO 358 2.60 8 0.11 0.38 + ++ ++ +* + VdW CZ TYR 52 - HD3 PRO 58 2.60 6 0.11 0.47 *+ ++ + + VdW CZ TYR 52 - CA GLY 357 3.20 14 0.32 0.58 + ++ ++*+++ +++++ VdW CZ TYR 52 - HA2 GLY 357 2.60 14 0.51 0.81 + ++ +++*++ +++++ VdW CE2 TYR 52 - CA GLY 357 3.20 10 0.19 0.50 + ++ ++ *++++ VdW CE2 TYR 52 - HA2 GLY 357 2.60 13 0.21 0.43 + + +++++* +++++ VdW CD2 TYR 52 - C ALA 95 3.10 10 0.19 0.46 + ++ ++ ++*++ VdW HD2 TYR 52 - CA ALA 95 2.60 9 0.18 0.55 + ++ ++ +++* VdW HD2 TYR 52 - CB ALA 95 2.60 10 0.23 0.58 + ++ *+ +++++ VdW HD2 TYR 52 - C ALA 95 2.50 11 0.34 0.85 + +++ ++ ++*++ VdW HD2 TYR 52 - O ALA 95 2.30 6 0.16 0.65 ++ + *++ VdW HD2 TYR 52 - N LEU 96 2.45 6 0.09 0.26 * +++ + + VdW OH TYR 52 - CE2 TYR 352 2.90 13 0.25 0.59 + ++ +++++ ++*++ VdW OH TYR 52 - HE2 TYR 352 2.30 13 0.26 0.60 + ++ +++++ ++*++ VdW OH TYR 52 - N GLY 357 2.75 8 0.11 0.27 + +*+++ ++ VdW N GLU 53 - CG GLU 53 2.85 10 0.18 0.20 ++ ++ *++ + ++ VdW H GLU 53 - CG GLU 53 2.55 6 0.15 0.26 + + + *+ + VdW O ALA 55 - CD2 LEU 396 2.90 6 0.11 0.58 ++ +* + + VdW O ALA 55 - CG2 VAL 419 2.90 9 0.18 0.44 + + ++*++ ++ VdW C THR 56 - O GLY 57 2.80 11 0.20 0.40 ++* + + + +++++ VdW O THR 56 - C GLY 57 2.80 10 0.19 0.39 +* + + + +++++ VdW O THR 56 - O GLY 57 2.60 16 0.58 1.00 +++ ++* ++ +++ +++++ VdW O THR 56 - CG GLN 359 2.90 8 0.14 0.42 ++ +++ + *+ VdW N GLY 57 - HG2 PRO 358 2.45 13 0.19 0.38 +* ++++++ +++++ VdW CA GLY 57 - CD PRO 358 3.20 17 0.32 0.55 +++ *++ ++++++ +++++ VdW CA GLY 57 - HG2 PRO 358 2.60 10 0.18 0.58 * ++ +++++ + + VdW CA GLY 57 - HD2 PRO 358 2.60 14 0.36 0.76 + ++ ++++++ +++*+ VdW CA GLY 57 - HB2 GLN 359 2.60 6 0.12 0.46 +++ ++* VdW CA GLY 57 - HG2 GLN 359 2.60 7 0.24 0.96 + +* ++ ++ VdW HA2 GLY 57 - CD PRO 58 2.60 7 0.11 0.31 +++*+ + + VdW HA2 GLY 57 - CZ TYR 352 2.60 6 0.19 0.75 ++ ++ * + VdW HA2 GLY 57 - CD PRO 358 2.60 8 0.16 0.69 * ++ ++ + ++ VdW HA2 GLY 57 - HD2 PRO 358 2.00 14 0.41 0.86 * ++ ++++++ +++++ VdW HA3 GLY 57 - CD PRO 358 2.60 8 0.17 0.74 ++ +*+ + + + VdW HA3 GLY 57 - HD3 PRO 358 2.00 6 0.09 0.46 +* ++ + + VdW HA3 GLY 57 - N GLN 359 2.45 12 0.22 0.45 + +++++* +++++ VdW HA3 GLY 57 - H GLN 359 1.95 12 0.20 0.46 ++ ++ +++ *++++ VdW C GLY 57 - CB GLN 359 3.10 9 0.26 0.63 ++++++ *++ VdW C GLY 57 - HB2 GLN 359 2.50 9 0.45 1.09 ++++++ ++* VdW C GLY 57 - CG GLN 359 3.10 6 0.17 0.61 + *+ + ++ VdW C GLY 57 - HG2 GLN 359 2.50 7 0.11 0.40 + +* ++ ++ VdW O GLY 57 - HB2 GLN 359 2.30 6 0.11 0.33 ++* +++ VdW N PRO 58 - CB GLN 359 3.05 9 0.18 0.46 +++*++ +++ VdW N PRO 58 - HB2 GLN 359 2.45 9 0.34 0.85 ++*+++ +++ VdW CD PRO 58 - CA GLY 357 3.20 6 0.19 0.62 ++*+ + + VdW CD PRO 58 - HA3 GLY 357 2.60 8 0.23 0.73 * +++ + +++ VdW CD PRO 58 - H GLN 359 2.55 9 0.14 0.34 ++++++ ++* VdW CA PRO 58 - CB ALA 95 3.20 17 0.48 0.72 ++ +++++++++++++*+ VdW CA PRO 58 - HB1 ALA 95 2.60 8 0.13 0.44 * + ++++ + + VdW CA PRO 58 - HB2 ALA 95 2.60 13 0.21 0.49 *+ + +++ ++++ + ++ VdW CA PRO 58 - HB3 ALA 95 2.60 13 0.23 0.54 + *++ +++ ++++++ VdW HA PRO 58 - CB ALA 95 2.60 17 0.39 0.62 ++ +++++++++++++*+ VdW HA PRO 58 - HB3 ALA 95 2.00 8 0.16 0.41 ++ + + +++* VdW CB PRO 58 - CB ALA 95 3.20 14 0.36 0.79 * ++ ++++++ +++++ VdW CB PRO 58 - HB1 ALA 95 2.60 7 0.10 0.34 + + ++ + *+ VdW CB PRO 58 - HB3 ALA 95 2.60 9 0.21 0.90 * + + + +++++ VdW CB PRO 58 - CD2 LEU 96 3.20 6 0.14 0.53 ++ +* + + VdW HB2 PRO 58 - CD2 LEU 96 2.60 6 0.20 0.86 +* ++ + + VdW HB3 PRO 58 - CB ALA 95 2.60 14 0.38 0.69 + ++ ++++++ ++++* VdW HB3 PRO 58 - HB1 ALA 95 2.00 6 0.11 0.34 + *+ + ++ VdW HB3 PRO 58 - HB3 ALA 95 2.00 10 0.24 0.80 * + +++ +++++ VdW CG PRO 58 - CA GLY 357 3.20 6 0.11 0.52 *++++ + VdW CG PRO 58 - CA GLU 360 3.20 6 0.13 0.32 ++ + ++* VdW HG2 PRO 58 - CA GLY 357 2.60 6 0.11 0.68 *+ ++ + + VdW HG2 PRO 58 - C GLN 359 2.50 13 0.24 0.49 ++ +*++++ +++++ VdW HG2 PRO 58 - N GLU 360 2.45 13 0.30 0.62 ++ ++++++ ++*++ VdW HG2 PRO 58 - CA GLU 360 2.60 13 0.33 0.62 ++ ++++++ ++++* VdW HG2 PRO 58 - HA GLU 360 2.00 12 0.20 0.53 ++ ++ +++ ++++* VdW HG3 PRO 58 - OE2 GLU 360 2.30 8 0.17 0.59 +* + + ++ ++ VdW HD2 PRO 58 - CA GLY 357 2.60 6 0.18 0.81 +* ++ + + VdW HD2 PRO 58 - HA2 GLY 357 2.00 6 0.22 0.94 +* ++ + + VdW HD2 PRO 58 - N GLN 359 2.45 9 0.21 0.45 +*++++ +++ VdW HD2 PRO 58 - H GLN 359 1.95 14 0.41 0.71 + ++ ++++++ ++*++ VdW HD3 PRO 58 - HA3 GLY 357 2.00 13 0.24 0.56 + ++ +++ ++ +++*+ VdW C PRO 58 - CB ALA 95 3.10 6 0.21 0.81 *+ ++ + + VdW C PRO 58 - CB GLN 359 3.10 9 0.19 0.51 ++++++ *++ VdW C PRO 58 - HB2 GLN 359 2.50 7 0.13 0.47 *+ +++ ++ VdW C PRO 58 - HB3 GLN 359 2.50 7 0.22 0.74 ++++ *++ VdW O PRO 58 - C GLN 59 2.80 13 0.21 0.39 ++ ++++++ *++++ VdW O PRO 58 - CB ALA 95 2.90 6 0.21 0.80 ++ *+ + + VdW N GLN 59 - CA GLN 359 3.05 9 0.18 0.44 ++*+++ +++ VdW N GLN 59 - CB GLN 359 3.05 13 0.48 1.01 ++ ++*+++ +++++ VdW N GLN 59 - HB2 GLN 359 2.45 8 0.23 0.86 + +* +++ ++ VdW N GLN 59 - HB3 GLN 359 2.45 9 0.45 1.12 +++*++ +++ VdW N GLN 59 - C GLN 359 2.95 13 0.46 0.87 ++ ++++++ ++*++ VdW N GLN 59 - O GLN 359 2.75 13 0.80 1.31 ++ ++++++ ++*++ VdW H GLN 59 - HD2 PRO 358 1.95 6 0.14 0.57 *+ ++ + + VdW H GLN 59 - CA GLN 359 2.55 9 0.20 0.57 ++*+++ +++ VdW H GLN 59 - CB GLN 359 2.55 9 0.17 0.62 ++*+++ +++ VdW H GLN 59 - C GLN 359 2.45 13 0.66 1.17 ++ ++++++ ++*++ VdW H GLN 59 - O GLN 359 1.80 13 0.46 0.78 ++ ++++++ ++++* VdW CA GLN 59 - CB GLN 359 3.20 16 0.34 0.65 + +++++++++*+++++ VdW CA GLN 59 - HB2 GLN 359 2.60 11 0.30 1.00 ++++++++ * ++ VdW CA GLN 59 - HB3 GLN 359 2.60 9 0.33 0.92 ++*+++ +++ VdW CA GLN 59 - C GLN 359 3.10 13 0.20 0.47 ++ ++++++ ++*++ VdW CA GLN 59 - O GLN 359 2.90 13 0.70 1.26 ++ ++++++ ++*++ VdW HA GLN 59 - O GLN 359 2.30 7 0.13 0.40 + +++ ++* VdW CB GLN 59 - CA GLN 359 3.20 16 0.47 0.68 + +++++*+++++++++ VdW CB GLN 59 - HA GLN 359 2.60 9 0.16 0.43 ++*+++ +++ VdW CB GLN 59 - CB GLN 359 3.20 19 0.47 0.69 ++ ++++*++++++++++++ VdW CB GLN 59 - HB2 GLN 359 2.60 7 0.27 1.00 +++++ * + VdW CB GLN 59 - HB3 GLN 359 2.60 11 0.21 0.58 ++ +*++++ + ++ VdW CB GLN 59 - C GLN 359 3.10 14 0.45 0.78 + *+ ++++++ +++++ VdW CB GLN 59 - O GLN 359 2.90 14 0.63 1.08 + *+ ++++++ +++++ VdW CB GLN 59 - N GLU 360 3.05 6 0.12 0.46 ++ ++ + * VdW CB GLN 59 - H GLU 360 2.55 6 0.22 0.86 ++ *+ + + VdW CB GLN 59 - CD2 LEU 362 3.20 9 0.13 0.32 ++ + + *+ +++ VdW CB GLN 59 - CE2 PHE 392 3.20 10 0.19 0.49 +* ++++ ++ ++ VdW CB GLN 59 - HE2 PHE 392 2.60 6 0.10 0.26 +* +++ + VdW HB2 GLN 59 - N GLN 359 2.45 6 0.21 0.92 ++ ++ * + VdW HB2 GLN 59 - CA GLN 359 2.60 19 0.71 1.02 ++ ++*++++++++++++++ VdW HB2 GLN 59 - HA GLN 359 2.00 13 0.38 0.74 ++ ++++++ *++++ VdW HB2 GLN 59 - CB GLN 359 2.60 18 0.55 0.97 +++ ++++++++++ +++*+ VdW HB2 GLN 59 - HB3 GLN 359 2.00 7 0.17 0.51 +* +++ ++ VdW HB2 GLN 59 - C GLN 359 2.50 11 0.25 0.85 * ++ +++ +++++ VdW HB3 GLN 59 - CZ PHE 92 2.60 6 0.15 0.79 ++ +* + + VdW HB3 GLN 59 - CD2 LEU 362 2.60 10 0.25 0.56 + ++ + + *+ +++ VdW HB3 GLN 59 - CE2 PHE 392 2.60 8 0.16 0.58 *+ ++ ++ ++ VdW CG GLN 59 - CA GLY 357 3.20 6 0.18 0.68 ++ ++ + * VdW CG GLN 59 - HA3 GLY 357 2.60 6 0.17 0.75 ++ +* + + VdW CG GLN 59 - C GLY 357 3.10 6 0.16 0.65 ++ ++ * + VdW CG GLN 59 - CA GLN 359 3.20 9 0.14 0.31 + ++*++ +++ VdW CG GLN 59 - C GLN 359 3.10 13 0.55 0.89 ++ ++++++ ++++* VdW CG GLN 59 - O GLN 359 2.90 13 0.63 1.06 ++ ++++++ ++++* VdW CG GLN 59 - HB3 LEU 362 2.60 11 0.22 0.72 ++ ++ + + ++++* VdW HG2 GLN 59 - CA GLY 357 2.60 6 0.23 0.93 ++ ++ * + VdW HG2 GLN 59 - HA3 GLY 357 2.00 6 0.23 0.97 ++ ++ * + VdW HG2 GLN 59 - C GLY 357 2.50 6 0.11 0.60 +* ++ + + VdW HG2 GLN 59 - CB LEU 362 2.60 13 0.25 0.43 ++ ++++++ ++*++ VdW HG2 GLN 59 - HB3 LEU 362 2.00 9 0.20 0.69 + + + + ++++* VdW HG3 GLN 59 - C GLN 359 2.50 13 0.48 0.86 ++ +*++++ +++++ VdW HG3 GLN 59 - O GLN 359 2.30 13 0.62 1.04 ++ +*++++ +++++ VdW HG3 GLN 59 - N GLU 360 2.45 10 0.16 0.32 ++ * ++ + +++ + VdW CD GLN 59 - CZ PHE 92 3.10 6 0.11 0.46 ++*++ + VdW CD GLN 59 - HZ PHE 92 2.50 7 0.17 0.63 +++++ + * VdW CD GLN 59 - C GLN 359 3.00 13 0.23 0.43 ++ ++++++ ++++* VdW CD GLN 59 - N ALA 361 2.95 13 0.22 0.46 ++ ++++*+ +++++ VdW CD GLN 59 - N LEU 362 2.95 13 0.22 0.45 ++ ++++++ ++++* VdW CD GLN 59 - H LEU 362 2.45 13 0.30 0.53 ++ ++*+++ +++++ VdW OE1 GLN 59 - N LEU 362 2.75 13 0.23 0.50 +* ++++++ +++++ VdW OE1 GLN 59 - H LEU 362 1.80 12 0.18 0.41 +* ++++++ ++++ VdW OE1 GLN 59 - CG PHE 392 2.90 7 0.13 0.31 + + +++*+ VdW OE1 GLN 59 - CD2 PHE 392 2.90 6 0.10 0.28 +++ *+ + VdW NE2 GLN 59 - CZ PHE 92 3.05 6 0.14 0.56 + *++ + + VdW NE2 GLN 59 - CA GLN 359 3.05 12 0.19 0.41 ++ ++*+++ ++++ VdW NE2 GLN 59 - C GLN 359 2.95 13 0.36 0.63 +* ++++++ +++++ VdW NE2 GLN 59 - N GLU 360 2.90 13 0.49 0.81 ++ ++++++ ++++* VdW NE2 GLN 59 - N ALA 361 2.90 13 0.57 0.96 ++ ++++++ +++*+ VdW NE2 GLN 59 - H ALA 361 1.80 13 0.31 0.71 ++ ++++*+ +++++ VdW HE21 GLN 59 - C GLN 359 2.45 13 0.43 0.77 +* ++++++ +++++ VdW HE21 GLN 59 - N GLU 360 1.80 13 0.39 0.67 +* ++++++ +++++ VdW HE21 GLN 59 - H GLU 360 1.90 13 0.35 0.59 ++ *+++++ +++++ VdW HE21 GLN 59 - CA GLU 360 2.55 13 0.30 0.70 ++ ++++++ ++++* VdW HE21 GLN 59 - H ALA 361 1.90 13 0.34 0.69 ++ ++++*+ +++++ VdW HE22 GLN 59 - H ALA 361 1.90 13 0.24 0.52 ++ ++++++ +++*+ VdW C GLN 59 - CB GLN 359 3.10 6 0.16 0.85 ++ ++ + * VdW C GLN 59 - HB2 GLN 359 2.50 6 0.18 0.82 ++ +* + + VdW O GLN 59 - C GLU 60 2.80 14 0.27 0.40 + ++ ++++++ +*+++ VdW O GLN 59 - N ALA 61 2.75 9 0.24 0.80 +* + + + + ++ + VdW O GLN 59 - N LEU 62 2.75 13 0.24 0.49 ++ +*++++ +++++ VdW O GLN 59 - CB GLN 359 2.90 6 0.23 1.20 ++ ++ + * VdW O GLN 59 - HB2 GLN 359 2.30 6 0.11 0.51 +* ++ + + VdW O GLN 59 - CG GLN 359 2.90 6 0.21 1.04 ++ ++ + * VdW N GLU 60 - CB GLN 359 3.05 6 0.17 0.52 + ++ + +* VdW N GLU 60 - HB3 GLN 359 2.45 8 0.19 0.50 ++ +*+ + ++ VdW N GLU 60 - CG GLN 359 3.05 8 0.16 0.46 + +++++*+ VdW H GLU 60 - CB GLN 359 2.55 13 0.33 0.94 + ++ ++ +++ ++++* VdW H GLU 60 - HB3 GLN 359 1.95 7 0.23 0.85 ++ ++ + +* VdW H GLU 60 - CG GLN 359 2.55 10 0.33 0.81 + +++*++ +++ VdW H GLU 60 - HG3 GLN 359 1.95 9 0.24 0.69 + ++ +*+ +++ VdW CB GLU 60 - CB ALA 416 3.20 8 0.15 0.33 * ++++ +++ VdW HB2 GLU 60 - CB ALA 416 2.60 11 0.30 0.74 + *+++++ ++++ VdW HB2 GLU 60 - HB1 ALA 416 2.00 6 0.11 0.48 + +* + + + VdW C ALA 61 - CG LEU 65 3.10 7 0.11 0.29 + * + + + + + VdW C ALA 61 - HG LEU 65 2.50 10 0.24 0.64 + + + + ++ + ++ * VdW O ALA 61 - N LEU 65 2.75 11 0.22 0.49 * ++ ++ + + ++ ++ VdW O ALA 61 - H LEU 65 1.80 9 0.16 0.43 + ++ + + + +* + VdW O ALA 61 - CB LEU 65 2.90 8 0.12 0.28 + + ++ ++*+ VdW O ALA 61 - CG LEU 65 2.90 12 0.29 0.79 + + + + *+++ +++ + VdW O ALA 61 - HG LEU 65 2.30 10 0.37 1.03 + + + + *+ + ++ + VdW CA LEU 62 - CD2 LEU 62 3.00 7 0.08 0.26 ++++*+ + VdW HB3 LEU 62 - HD1 PHE 92 2.00 8 0.22 0.64 + + * + ++++ VdW HB3 LEU 62 - HD2 PHE 92 2.00 7 0.17 0.65 + + + ++ * + VdW CD2 LEU 62 - C LEU 62 3.10 7 0.33 0.95 +*++++ + VdW CD2 LEU 62 - O LEU 62 2.90 6 0.12 0.73 +++*+ + VdW CD2 LEU 62 - N ALA 63 3.05 7 0.25 0.82 ++++++ * VdW CD2 LEU 62 - CA ALA 63 3.20 6 0.08 0.30 ++++ + * VdW CD2 LEU 62 - CG LEU 362 3.20 6 0.10 0.37 * ++ + + + VdW CD2 LEU 62 - HG LEU 362 2.60 6 0.15 0.55 + +* + + + VdW CD2 LEU 62 - CD2 LEU 362 3.20 6 0.13 0.31 +* + + + + VdW HD22 LEU 62 - C LEU 62 2.50 6 0.16 0.83 +++ +* + VdW N GLN 64 - HG2 GLN 64 2.45 15 0.20 0.31 ++ +++++*+++ ++++ VdW HB2 LEU 65 - HB VAL 88 2.00 8 0.16 0.50 + * + ++ +++ VdW O LEU 65 - SG CYS 69 3.10 8 0.16 0.39 +++ + * + + + VdW CG GLU 67 - C GLU 67 2.90 8 0.18 0.24 +*+ ++ + + + VdW CA LEU 68 - CD1 LEU 68 3.00 12 0.15 0.26 +* ++ ++++++ + + VdW HA LEU 68 - CD1 LEU 68 2.60 12 0.23 0.47 +* ++ ++++++ + + VdW HA CYS 69 - HE3 TRP 72 2.00 18 0.31 0.44 ++++++++ +++ *++++++ VdW O ARG 70 - HA ARG 74 2.30 8 0.15 0.33 * +++ ++ + + VdW CG TRP 72 - C TRP 72 2.90 19 0.22 0.25 +++++++++++++*+++++ VdW CG TRP 72 - N LEU 73 3.05 12 0.22 0.37 ++ +++++ +*+ ++ VdW CD1 TRP 72 - C TRP 72 3.10 15 0.24 0.35 +++++ +++++ * ++ ++ VdW CZ3 TRP 72 - HG LEU 87 2.60 7 0.17 0.31 ++ + ++ + * VdW O LEU 73 - O ARG 74 2.60 13 0.19 0.37 ++ + +++++++ * + + VdW HA ARG 74 - CD PRO 75 2.60 18 0.26 0.30 +++++++++*++++ ++++ VdW C ARG 74 - H GLU 76 2.45 20 0.34 0.38 ++++++++++++*+++++++ VdW HA PRO 75 - CE MET 83 2.60 15 0.27 0.38 +* + +++++++++ ++ + VdW O LYS 80 - HB2 LEU 84 2.30 10 0.23 0.41 ++ * +++ ++ ++ VdW O GLN 82 - HG LEU 86 2.30 7 0.10 0.27 + ++ + ++ * VdW CB MET 83 - CE MET 83 3.00 6 0.11 0.23 + *++ + + VdW O MET 83 - HB3 LEU 86 2.30 11 0.23 0.57 + +*++ + +++ + + VdW O LEU 84 - CG1 VAL 88 2.90 7 0.15 0.40 + *+ + + ++ VdW O GLU 85 - HB3 LEU 89 2.30 9 0.13 0.37 + *+ ++ ++++ VdW N LEU 87 - CD1 LEU 87 3.05 7 0.14 0.30 *+ + ++ ++ VdW N VAL 88 - CG1 VAL 88 2.85 8 0.12 0.24 ++ ++ + + +* VdW H VAL 88 - CG1 VAL 88 2.55 12 0.23 0.42 *+ ++ ++ ++ ++++ VdW CG2 VAL 88 - C VAL 88 2.90 12 0.18 0.33 ++ ++ ++ ++ ++*+ VdW O VAL 88 - N PHE 92 2.75 6 0.12 0.33 *+ ++ + + VdW HB2 LEU 89 - C SER 111 2.50 8 0.17 0.57 + * + ++ +++ VdW HG LEU 89 - N GLU 90 2.45 14 0.27 0.55 + ++* ++++ + ++++ + VdW CD1 LEU 89 - N GLU 90 3.05 6 0.11 0.38 * + + + + + VdW CD2 LEU 89 - C LEU 89 3.10 6 0.15 0.59 + + + * + + VdW CD2 LEU 89 - N SER 111 3.05 10 0.15 0.30 + + ++* + + ++ + VdW CD GLN 91 - O GLN 91 2.80 7 0.14 0.40 ++*++ + + VdW NE2 GLN 91 - O GLN 91 2.75 15 0.27 0.55 +++ +* +++ +++ ++++ VdW O GLN 91 - N GLY 94 2.75 13 0.22 0.38 + +* ++++++ ++++ VdW CD1 PHE 92 - C PHE 92 3.10 8 0.18 0.54 + * + ++ + ++ VdW HD1 PHE 92 - C PHE 92 2.50 7 0.14 0.56 + + + ++ *+ VdW CZ PHE 92 - CB ALA 116 3.20 12 0.24 0.45 *+ ++ + ++ +++ ++ VdW CZ PHE 92 - HB2 ALA 116 2.60 7 0.13 0.40 + + + +* + + VdW CZ PHE 92 - HB3 ALA 116 2.60 6 0.11 0.43 ++ + *+ + VdW CZ PHE 92 - HA GLU 360 2.60 13 0.30 0.53 ++ +*++++ +++++ VdW HZ PHE 92 - CB ALA 116 2.60 8 0.16 0.39 ++ ++ + + *+ VdW HZ PHE 92 - CA GLU 360 2.60 6 0.13 0.29 ++ +* ++ VdW HZ PHE 92 - HA GLU 360 2.00 13 0.27 0.57 ++ +*++++ +++++ VdW CD2 PHE 92 - C PHE 92 3.10 12 0.27 0.56 +*+ + ++ + + ++++ VdW HD2 PHE 92 - C PHE 92 2.50 8 0.19 0.65 +*+ + + + ++ VdW HD2 PHE 92 - N LEU 93 2.45 6 0.13 0.41 ++* + + + VdW N LEU 96 - HG LEU 96 2.45 16 0.23 0.33 * + + +++++++++++++ VdW H LEU 96 - CG LEU 96 2.55 14 0.22 0.33 *++ ++++++++ +++ VdW H LEU 96 - HG LEU 96 1.95 12 0.24 0.55 * + + ++++++ +++ VdW CB PRO 97 - HD2 PRO 98 2.60 9 0.19 0.29 ++*+ ++ + ++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 10 0.23 0.39 ++*++ ++ + ++ VdW HG2 PRO 97 - CG GLU 99 2.60 12 0.21 0.38 ++++++++ + *++ VdW HD2 PRO 97 - CD1 ILE 100 2.60 9 0.18 0.31 +++ + + + * + + VdW O PRO 97 - CB GLN 101 2.90 7 0.16 0.25 ++ +* + + + VdW O PRO 97 - HB3 GLN 101 2.30 7 0.16 0.39 ++* + + + + VdW O PRO 98 - CB ALA 102 2.90 7 0.14 0.28 + *++ + ++ VdW N ILE 100 - CG1 ILE 100 2.85 11 0.21 0.24 ++++++++ + +* VdW H ILE 100 - CG1 ILE 100 2.55 20 0.31 0.37 *+++++++++++++++++++ VdW O GLN 101 - CG1 VAL 104 2.90 11 0.20 0.29 + ++++* +++ ++ VdW CB SER 111 - HD2 PRO 112 2.60 10 0.19 0.34 + + ++* + +++ + VdW O PRO 112 - CB ALA 363 2.90 14 0.24 0.44 + ++ ++++++ +++*+ VdW HA GLU 113 - C ALA 363 2.50 12 0.22 0.45 ++ * ++++ +++++ VdW HA GLU 113 - O ALA 363 2.30 12 0.21 0.44 ++ *+++++ ++++ VdW O GLU 114 - HG LEU 118 2.30 8 0.20 0.32 + + +*+ ++ + VdW CB ALA 116 - O GLU 360 2.90 11 0.18 0.48 ++ ++++*+ +++ VdW CB ALA 116 - CB ALA 363 3.20 12 0.21 0.44 ++ +++ ++ ++++* VdW C ALA 116 - NE2 GLN 364 2.95 6 0.10 0.31 +* + +++ VdW HA ALA 117 - HE22 GLN 364 1.95 6 0.11 0.31 + ++* ++ VdW CG2 VAL 119 - C VAL 119 2.90 9 0.13 0.31 + + ++ ++ +*+ VdW CG2 VAL 119 - CD GLU 360 3.10 12 0.17 0.41 + +*++++ +++++ VdW CG2 VAL 119 - OE1 GLU 360 2.90 6 0.12 0.40 * + ++ ++ VdW O ALA 343 - N PHE 347 2.75 6 0.16 0.27 + + + + + * VdW O LEU 345 - HB2 CYS 349 2.30 8 0.19 0.27 ++++* + ++ VdW HZ PHE 347 - C LEU 387 2.50 7 0.13 0.30 + + + *++ + VdW O PHE 347 - HG2 GLN 391 2.30 10 0.20 0.48 +* + ++++++ + VdW HA ARG 348 - CG GLN 391 2.60 8 0.16 0.24 + + ++ +++ * VdW HA ARG 348 - CD GLN 391 2.50 14 0.25 0.42 + + ++ + +++* +++++ VdW CD1 PHE 350 - CB ALA 361 3.20 7 0.12 0.36 + *+ + + + + VdW CE1 PHE 350 - HB3 GLU 360 2.60 6 0.13 0.52 + + *+ ++ VdW HE1 PHE 350 - HB3 GLU 360 2.00 7 0.14 0.60 * + ++ ++ + VdW CZ PHE 350 - HB3 GLU 360 2.60 10 0.22 0.47 ++ + + + ++*++ VdW HZ PHE 350 - CG GLU 360 2.60 14 0.27 0.50 + +++++++++ + * ++ VdW HZ PHE 350 - HG2 GLU 360 2.00 7 0.15 0.44 * ++ + + + + VdW CE2 PHE 350 - HB3 GLU 360 2.60 6 0.12 0.57 + +++ + * VdW HE2 PHE 350 - HB3 GLU 360 2.00 7 0.13 0.51 + +++ + + * VdW CD2 PHE 350 - CB ALA 361 3.20 6 0.12 0.37 + + + ++* VdW CG HIS 351 - C HIS 351 2.90 10 0.19 0.24 + +* ++ ++ ++ + VdW CG HIS 351 - O HIS 351 2.90 19 0.43 0.56 ++ +++++++*+++++++++ VdW N TYR 352 - O ALA 395 2.75 14 0.22 0.39 + +* ++++++ +++++ VdW CA TYR 352 - HB THR 356 2.60 6 0.17 0.48 +++ *+ + VdW HA TYR 352 - CB THR 356 2.60 9 0.27 0.62 +++++ *+ ++ VdW HA TYR 352 - HB THR 356 2.00 10 0.29 0.65 +++++ *+ + ++ VdW HA TYR 352 - CG2 THR 356 2.60 12 0.30 0.53 *+++++++ + + + + VdW CB TYR 352 - O GLY 357 2.90 7 0.17 0.56 * ++ ++ ++ VdW HB2 TYR 352 - O GLY 357 2.30 9 0.18 0.40 + * + +++ + + + VdW HB3 TYR 352 - O ALA 395 2.30 10 0.17 0.56 * ++ + + + ++++ VdW CG TYR 352 - C TYR 352 2.90 20 0.23 0.24 ++*+++++++++++++++++ VdW CG TYR 352 - C GLY 357 3.10 14 0.21 0.47 * ++ ++++++ +++++ VdW CD1 TYR 352 - N PRO 358 3.05 13 0.19 0.36 + ++ +++++ ++++* VdW CD1 TYR 352 - CA PRO 358 3.20 13 0.22 0.38 + ++ +++++ ++++* VdW CD1 TYR 352 - HA LEU 396 2.60 11 0.15 0.28 + *++++ +++++ VdW HD1 TYR 352 - C ALA 395 2.50 10 0.21 0.53 ++ *+ ++ ++ ++ VdW HD1 TYR 352 - CA LEU 396 2.60 11 0.13 0.25 ++ + *++ +++++ VdW HD1 TYR 352 - HA LEU 396 2.00 12 0.17 0.33 + +* + +++ +++++ VdW CE1 TYR 352 - CD PRO 358 3.20 11 0.19 0.38 ++ +++++ +*+ + VdW CE1 TYR 352 - HD3 PRO 358 2.60 13 0.28 0.56 + ++ +++++ ++*++ VdW CZ TYR 352 - HD3 PRO 358 2.60 14 0.34 0.63 + ++ ++++++ +*+++ VdW CE2 TYR 352 - H GLY 357 2.55 11 0.20 0.52 + +++++ ++++* VdW HE2 TYR 352 - C GLU 354 2.50 11 0.18 0.40 + +++++ +++*+ VdW CD2 TYR 352 - N GLY 357 3.05 13 0.45 0.74 + ++ +++++ ++++* VdW CD2 TYR 352 - H GLY 357 2.55 11 0.34 0.79 + +++++ +++*+ VdW CD2 TYR 352 - CA GLY 357 3.20 6 0.16 0.39 * + +++ + VdW HD2 TYR 352 - CA THR 356 2.60 9 0.13 0.31 + ++* + ++ ++ VdW HD2 TYR 352 - HB THR 356 2.00 8 0.13 0.39 + ++ ++ +*+ VdW HD2 TYR 352 - N GLY 357 2.45 14 0.30 0.58 * +++ +++++ +++++ VdW HD2 TYR 352 - H GLY 357 1.95 11 0.21 0.39 ++ +* + ++ + +++ VdW H GLU 353 - CG GLU 353 2.55 10 0.17 0.35 + +++*++ + ++ VdW H GLU 353 - HB THR 356 1.95 10 0.19 0.38 +++ *++ + + ++ VdW CB GLU 353 - H GLU 354 2.55 12 0.20 0.35 + +++++* +++++ VdW O THR 356 - O GLY 357 2.60 8 0.25 0.95 +++*+ ++ + VdW HA2 GLY 357 - CD PRO 358 2.60 15 0.23 0.31 + +++ ++++++ *++++ VdW CA PRO 358 - CB ALA 395 3.20 19 0.46 0.69 +* +++++++++++++++++ VdW CA PRO 358 - HB1 ALA 395 2.60 9 0.17 0.56 *+ ++ + + +++ VdW CA PRO 358 - HB2 ALA 395 2.60 14 0.25 0.52 + *+ +++++ ++++++ VdW CA PRO 358 - HB3 ALA 395 2.60 11 0.17 0.53 + +*++ ++++ ++ VdW HA PRO 358 - CB ALA 395 2.60 18 0.43 0.81 *+ + +++++++++++++++ VdW HA PRO 358 - HB3 ALA 395 2.00 6 0.12 0.49 * + ++ + + VdW CB PRO 358 - CB ALA 395 3.20 6 0.16 0.93 ++ +* + + VdW CB PRO 358 - CG LEU 396 3.20 14 0.21 0.38 + ++ ++++++ +++*+ VdW CB PRO 358 - HG LEU 396 2.60 12 0.17 0.30 + + +++ ++ +++*+ VdW CB PRO 358 - CD2 LEU 396 3.20 14 0.31 0.58 * ++ ++++++ +++++ VdW HB2 PRO 358 - CD2 LEU 396 2.60 14 0.28 0.87 * ++ ++++++ +++++ VdW HB3 PRO 358 - CB ALA 395 2.60 6 0.15 0.64 *+ ++ + + VdW C PRO 358 - NE2 GLN 359 2.95 7 0.14 0.49 + + + + +*+ VdW C PRO 358 - HE21 GLN 359 2.45 10 0.26 0.64 + +* + + +++++ VdW C PRO 358 - CB ALA 395 3.10 14 0.42 0.80 * ++ ++++++ +++++ VdW C PRO 358 - HB1 ALA 395 2.50 8 0.15 0.60 + + + + + +*+ VdW C PRO 358 - HB2 ALA 395 2.50 10 0.21 0.86 * + +++ ++ +++ VdW C PRO 358 - HB3 ALA 395 2.50 9 0.14 0.51 +*+ ++++ ++ VdW O PRO 358 - CB ALA 395 2.90 14 0.58 0.92 + ++ +++*++ +++++ VdW O PRO 358 - HB1 ALA 395 2.30 12 0.30 0.90 + ++++++ ++++* VdW O PRO 358 - HB2 ALA 395 2.30 8 0.25 0.90 +* ++++ ++ VdW N GLN 359 - NE2 GLN 359 2.90 6 0.11 0.37 *+ + + + + VdW CA GLN 359 - HE21 GLN 359 2.55 7 0.13 0.44 +++ * + + + VdW CG GLN 359 - CZ PHE 392 3.20 8 0.12 0.32 ++++* +++ VdW CG GLN 359 - HZ PHE 392 2.60 9 0.17 0.43 +++*++ +++ VdW HG3 GLN 359 - CZ PHE 392 2.60 6 0.15 0.58 +++ *++ VdW HG3 GLN 359 - HZ PHE 392 2.00 6 0.13 0.51 +++ +*+ VdW CD GLN 359 - CZ PHE 392 3.10 6 0.17 0.71 + + +* + + VdW CD GLN 359 - HZ PHE 392 2.50 13 0.30 0.62 + ++ ++ +*+ +++++ VdW NE2 GLN 359 - CE1 PHE 392 3.05 7 0.14 0.72 *+ +++ ++ VdW NE2 GLN 359 - CZ PHE 392 3.05 11 0.23 0.54 +++ *++ + + + ++ VdW NE2 GLN 359 - HZ PHE 392 2.45 11 0.19 0.48 + +++ + + +++*+ VdW O GLN 359 - C GLU 360 2.80 6 0.10 0.35 *+ ++ + + VdW O GLN 359 - N LEU 362 2.75 6 0.09 0.39 ++ ++ * + VdW C ALA 361 - HG LEU 365 2.50 11 0.25 0.54 ++* + + + + ++++ VdW O ALA 361 - C LEU 362 2.80 14 0.29 0.43 + ++ ++++++ ++++* VdW O ALA 361 - N ALA 363 2.75 14 0.28 0.56 + ++ ++++++ ++++* VdW O ALA 361 - N GLN 364 2.75 13 0.20 0.33 +*+ ++++++ ++++ VdW O ALA 361 - N LEU 365 2.75 6 0.12 0.52 *+ ++ + + VdW O ALA 361 - HG LEU 365 2.30 8 0.19 0.71 ++* + + + ++ VdW HA LEU 362 - HB2 LEU 365 2.00 6 0.09 0.30 ++ ++ + * VdW CB LEU 362 - HD2 PHE 392 2.60 9 0.17 0.48 + + * + ++ ++ + VdW HB3 LEU 362 - HD2 PHE 392 2.00 6 0.13 0.53 + + + + * + VdW CG LEU 362 - N ALA 363 3.05 6 0.09 0.23 + * + +++ VdW HG LEU 362 - N ALA 363 2.45 10 0.17 0.39 + ++ + + ++ ++* VdW CD2 LEU 362 - C LEU 362 3.10 10 0.43 1.07 ++ ++ + + + *+ + VdW CD2 LEU 362 - O LEU 362 2.90 10 0.25 0.83 ++ ++ + + * ++ + VdW CD2 LEU 362 - N ALA 363 3.05 8 0.21 0.74 ++ ++ + + * + VdW CD2 LEU 362 - HB2 PRO 412 2.60 7 0.12 0.36 ++ + ++ +* VdW HD21 LEU 362 - C LEU 362 2.50 7 0.19 0.63 ++ + + + + * VdW HD21 LEU 362 - N ALA 363 2.45 7 0.17 0.68 + *+ + + + + VdW HD23 LEU 362 - C LEU 362 2.50 9 0.27 0.68 + ++ + * + ++ + VdW HD23 LEU 362 - O LEU 362 2.30 7 0.24 0.77 + ++ + + * + VdW N GLN 364 - HG2 GLN 364 2.45 9 0.15 0.33 ++ ++ + ++ * + VdW H GLN 364 - CG GLN 364 2.55 12 0.21 0.37 + + ++*+++ ++++ VdW HB2 LEU 365 - HB VAL 388 2.00 8 0.14 0.39 ++* + + +++ VdW CG GLU 367 - C GLU 367 2.90 9 0.18 0.24 + ++ ++++* + VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.09 0.26 + + +* + + VdW HA LEU 368 - CD1 LEU 368 2.60 8 0.15 0.47 + + * + ++ + + VdW HA CYS 369 - HE3 TRP 372 2.00 18 0.30 0.48 ++++*+ ++++++++++++ VdW O ARG 370 - HA ARG 374 2.30 6 0.14 0.29 + *+ ++ + VdW CG TRP 372 - C TRP 372 2.90 20 0.23 0.25 +*++++++++++++++++++ VdW CG TRP 372 - N LEU 373 3.05 14 0.24 0.34 +++ + *+++ + + ++++ VdW CD1 TRP 372 - C TRP 372 3.10 17 0.24 0.39 +* +++++ ++++ ++++++ VdW O LEU 373 - O ARG 374 2.60 14 0.20 0.32 +++++++ + + +++ + * VdW HA ARG 374 - CD PRO 375 2.60 19 0.27 0.30 +++*+++++++ ++++++++ VdW C ARG 374 - H GLU 376 2.45 19 0.35 0.38 ++++++++++++++++ ++* VdW HA PRO 375 - CE MET 383 2.60 15 0.25 0.36 + ++++++*++ +++ + + VdW O LYS 380 - N LEU 384 2.75 8 0.18 0.29 ++ + + + * ++ VdW O GLN 382 - HG LEU 386 2.30 6 0.08 0.33 + ++ + + * VdW CB MET 383 - CE MET 383 3.00 7 0.15 0.25 * + + + + ++ VdW O MET 383 - HB3 LEU 386 2.30 13 0.27 0.50 ++*+ + ++ +++++ + VdW O LEU 384 - CG1 VAL 388 2.90 11 0.22 0.44 +++ + *+ +++++ VdW O LEU 384 - HG11 VAL 388 2.30 7 0.14 0.36 + + + + * + + VdW O GLU 385 - HB3 LEU 389 2.30 7 0.14 0.29 + * ++ + ++ VdW N VAL 388 - CG1 VAL 388 2.85 11 0.16 0.24 +*+ + ++ +++++ VdW H VAL 388 - CG1 VAL 388 2.55 15 0.28 0.44 +++ + ++++++ *++++ VdW CG2 VAL 388 - C VAL 388 2.90 15 0.22 0.33 +*+ + ++++++ +++++ VdW O VAL 388 - N PHE 392 2.75 13 0.19 0.33 + *+ ++++++ ++ ++ VdW HB2 LEU 389 - C SER 411 2.50 6 0.18 0.49 *+ + + + + VdW HG LEU 389 - N GLU 390 2.45 10 0.19 0.42 + + + ++ ++* ++ VdW HG LEU 389 - N SER 411 2.45 9 0.18 0.51 + ++ ++ + *++ VdW CD1 LEU 389 - N GLU 390 3.05 9 0.15 0.37 + *+ ++ + +++ VdW CD2 LEU 389 - C LEU 389 3.10 9 0.20 0.53 + ++ *+ + +++ VdW O LEU 389 - HB3 PHE 392 2.30 6 0.15 0.31 + + + + *+ VdW CD GLN 391 - O GLN 391 2.80 11 0.18 0.38 + * ++ ++ +++++ VdW NE2 GLN 391 - O GLN 391 2.75 11 0.21 0.54 +++* + ++++++ VdW CD1 PHE 392 - C PHE 392 3.10 14 0.37 0.61 + + +++ ++++ +++ *+ VdW CD1 PHE 392 - O PHE 392 2.90 11 0.15 0.27 + + + *+++ ++ ++ VdW HD1 PHE 392 - C PHE 392 2.50 13 0.37 0.67 + + +++ ++++ +* ++ VdW HD1 PHE 392 - N LEU 393 2.45 12 0.26 0.57 + + ++ ++++ ++ *+ VdW CZ PHE 392 - CB ALA 416 3.20 18 0.32 0.46 +++ +++++*++++ +++++ VdW HZ PHE 392 - CB ALA 416 2.60 10 0.21 0.34 *+ + ++ +++ ++ VdW CD2 PHE 392 - C PHE 392 3.10 6 0.15 0.58 + ++ + + * VdW HD2 PHE 392 - C PHE 392 2.50 6 0.15 0.63 + ++ + + * VdW N LEU 396 - HG LEU 396 2.45 19 0.26 0.34 ++ +*+++++++++++++++ VdW H LEU 396 - CG LEU 396 2.55 18 0.27 0.33 +* + +++++++++++++++ VdW H LEU 396 - HG LEU 396 1.95 17 0.35 0.55 *+ + +++++++++ +++++ VdW CB PRO 397 - CD PRO 398 3.20 6 0.16 0.24 ++ + * + + VdW CB PRO 397 - HD2 PRO 398 2.60 15 0.24 0.32 + ++ +++*++++++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 16 0.30 0.45 + +++ +++*++++++++ VdW HG2 PRO 397 - CG GLU 399 2.60 11 0.21 0.40 + +++ ++ +*+++ VdW O PRO 397 - CB GLN 401 2.90 11 0.20 0.25 + +++ ++ +* ++ + VdW H GLU 399 - HG2 GLU 399 1.95 9 0.13 0.23 + + + ++ +++ * VdW N ILE 400 - CG1 ILE 400 2.85 18 0.23 0.24 + + +++++++++++++*++ VdW H ILE 400 - CG1 ILE 400 2.55 20 0.33 0.37 +++++*++++++++++++++ VdW O GLN 401 - CG1 VAL 404 2.90 18 0.23 0.28 ++ *+++++++++++++++ VdW HG2 PRO 409 - H GLY 410 1.95 11 0.22 0.29 * +++ ++++ ++ + VdW N GLU 413 - HG3 GLU 413 2.45 8 0.15 0.32 + ++ + * ++ + VdW O GLU 414 - HG LEU 418 2.30 6 0.16 0.31 + +++ * + VdW CG2 VAL 419 - N ASP 420 3.05 8 0.15 0.29 + +++++ * + VdW HG21 VAL 419 - N ASP 420 2.45 6 0.10 0.37 + + + + * + Angle PSI ARG 44 -54.00 -34.00 9 3.88 7.80 + +*+++ ++ + Angle PSI LEU 45 -52.00 -32.00 13 6.02 10.33 +++ ++++ ++ + *++ Angle PSI ARG 46 -48.00 -28.00 11 5.15 11.49 ++ ++ *++++ + + Angle PSI PHE 47 -49.00 -29.00 13 6.87 14.76 ++ + + ++*++++ ++ Angle PSI ARG 48 -34.00 -4.00 20 22.91 27.60 ++++++++*+++++++++++ Angle PSI CYS 49 -51.00 -5.00 12 6.64 15.31 ++* +++ ++ + ++ + Angle PSI PHE 50 120.00 140.00 13 6.93 14.96 ++ +++++* +++++ Angle PHI HIS 51 -128.00 -90.00 6 2.34 10.13 ++*+ + + Angle PSI HIS 51 99.00 143.00 15 7.00 11.86 + + ++++*++++++++ Angle PHI GLU 54 -70.00 -50.00 20 52.25 60.18 +++++++++++++*++++++ Angle PHI ALA 55 -80.00 -58.00 20 34.76 41.15 +++++++*++++++++++++ Angle PSI ALA 55 -50.00 -30.00 6 4.64 19.91 ++ + + *+ Angle PHI THR 56 -112.00 -82.00 20 22.69 36.70 ++*+++++++++++++++++ Angle PSI THR 56 -15.00 15.00 16 13.61 66.22 ++ + +++*+++++++++ Angle PSI PRO 58 -41.00 -31.00 20 17.41 28.96 ++++*+++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 19 32.38 48.27 ++ +++++++++++*+++++ Angle PSI GLN 59 -46.00 -26.00 16 28.55 56.58 + ++*++++++++++++ Angle PHI GLU 60 -75.00 -55.00 20 24.95 35.18 ++++++++++++++++*+++ Angle PSI ALA 61 -53.00 -33.00 7 5.94 23.15 + ++ + + * + Angle PHI LEU 62 -71.00 -51.00 6 7.22 34.52 ++ *+ + + Angle PSI LEU 62 -53.00 -33.00 6 4.69 17.61 *+++ + + Angle PHI ALA 63 -76.00 -56.00 9 4.60 12.36 + + +++*++ + Angle PSI ALA 63 -48.00 -28.00 8 4.76 20.25 *+ ++ + ++ + Angle PSI GLN 64 -51.00 -31.00 6 2.88 8.95 + +* ++ + Angle PHI ARG 66 -76.00 -56.00 16 6.86 11.37 +*++ ++++++++ ++++ Angle PHI GLU 67 -79.00 -59.00 19 10.56 16.16 ++++++*+++++ +++++++ Angle PSI GLN 71 -47.00 -17.00 17 7.17 11.04 ++ +++++++++++ ++ *+ Angle PSI SER 79 155.00 175.00 14 6.85 20.29 * ++ ++ ++++++ + + + Angle PSI LYS 80 -48.00 -28.00 20 13.52 17.52 +*++++++++++++++++++ Angle PSI GLU 81 -50.00 -30.00 20 10.90 14.40 ++++++++++++++++++*+ Angle PHI GLN 82 -76.00 -56.00 15 7.08 14.64 + +* ++ ++++++ ++ ++ Angle PSI GLN 82 -48.00 -28.00 11 4.69 6.57 + ++ ++* ++ +++ Angle PHI MET 83 -75.00 -55.00 15 7.37 14.06 +++++ ++ + + ++++*+ Angle PSI MET 83 -52.00 -32.00 6 3.71 8.21 +*+ ++ + Angle PHI LEU 84 -73.00 -53.00 20 8.40 12.42 ++++++++++++++*+++++ Angle PSI LEU 84 -52.00 -32.00 10 5.01 11.73 + * ++ ++ ++++ Angle PSI GLU 85 -54.00 -34.00 14 5.61 11.19 ++++*+ ++ ++ ++++ Angle PHI LEU 87 -77.00 -57.00 11 5.82 11.02 *++ ++ +++ ++ + Angle PSI LEU 87 -51.00 -31.00 11 3.75 9.49 ++ ++ +* ++ +++ Angle PHI VAL 88 -78.00 -58.00 18 11.85 16.98 +++++++*++++++++++ Angle PSI VAL 88 -55.00 -35.00 10 5.98 17.57 + + *+ ++ ++ ++ Angle PHI GLN 91 -74.00 -54.00 7 4.44 15.14 ++ * + + + + Angle PHI PHE 92 -74.00 -54.00 18 9.54 16.14 + *+ +++++++++++++++ Angle PSI PHE 92 -55.00 -35.00 6 2.82 7.31 + + +*+ + Angle PSI PRO 97 132.20 154.90 20 21.34 25.81 ++*+++++++++++++++++ Angle PSI PRO 98 -46.00 -28.00 20 15.92 21.33 *+++++++++++++++++++ Angle PSI GLU 99 -47.00 -27.00 14 5.86 9.72 * +++ ++++++ +++ + Angle PHI ILE 100 -73.00 -53.00 20 16.86 19.86 +++++++++++++*++++++ Angle PSI GLY 106 -40.00 -6.00 7 3.88 6.54 + + *++ + + Angle PHI GLY 110 58.00 92.00 19 9.36 17.16 ++*++++++++ ++++++++ Angle PHI GLU 114 -74.00 -54.00 7 3.73 11.13 + + +++ + * Angle PHI ALA 115 -76.00 -56.00 10 4.96 10.33 + ++ *+ ++ +++ Angle PSI ALA 115 -49.00 -29.00 8 3.77 11.25 + ++* + ++ + Angle PSI ALA 117 -50.00 -30.00 6 3.80 11.42 ++ + ++* Angle PSI ARG 344 -54.00 -34.00 9 4.29 9.40 *+ ++ ++ + + + Angle PSI LEU 345 -52.00 -32.00 13 6.25 11.67 *+ +++++++ + +++ Angle PSI ARG 346 -48.00 -28.00 12 5.10 7.88 +++ ++ + + + *+++ Angle PSI PHE 347 -49.00 -29.00 9 4.78 11.70 + + ++ * ++++ Angle PHI ARG 348 -91.00 -61.00 7 3.96 9.51 * ++ +++ + Angle PSI ARG 348 -34.00 -4.00 20 22.03 27.73 +++++++++++*++++++++ Angle PSI CYS 349 -51.00 -5.00 11 6.68 18.15 +++ * +++ + ++ + Angle PHI HIS 351 -128.00 -90.00 11 4.62 12.68 *+ + ++++ ++++ Angle PSI HIS 351 99.00 143.00 18 8.67 14.06 *+ ++++++++++++++++ Angle PHI GLU 354 -70.00 -50.00 20 47.80 54.62 +++++++*++++++++++++ Angle PHI ALA 355 -80.00 -58.00 20 31.27 41.20 ++++++++++++++*+++++ Angle PSI ALA 355 -50.00 -30.00 13 8.70 17.29 + ++ +++++* + +++ Angle PHI THR 356 -112.00 -82.00 20 21.12 39.12 *+++++++++++++++++++ Angle PSI THR 356 -15.00 15.00 9 7.03 26.46 +* +++ + + ++ Angle PSI PRO 358 -41.00 -31.00 20 21.40 26.91 ++++++++++*+++++++++ Angle PHI GLN 359 -77.00 -57.00 19 32.25 48.38 ++++ *++++++++++++++ Angle PSI GLN 359 -46.00 -26.00 16 35.40 57.03 + ++++++++++++++* Angle PHI GLU 360 -75.00 -55.00 20 17.51 29.57 *+++++++++++++++++++ Angle PSI GLU 360 -54.00 -34.00 9 6.73 27.81 + ++ + * + +++ Angle PSI ALA 361 -53.00 -33.00 14 16.50 27.23 + ++ ++++++ +*+++ Angle PHI LEU 362 -71.00 -51.00 16 21.66 35.77 + + +++ ++++++ ++++* Angle PHI ALA 363 -76.00 -56.00 13 7.75 14.36 + ++ + + ++++++*+ Angle PSI ALA 363 -48.00 -28.00 14 8.48 13.78 + ++ ++++++ ++*++ Angle PHI ARG 366 -76.00 -56.00 11 5.23 9.65 + ++++* + +++ + Angle PHI GLU 367 -79.00 -59.00 19 10.23 21.58 ++++*++++ ++++++++++ Angle PSI GLN 371 -47.00 -17.00 18 7.75 11.95 +++++*+ ++++ +++++++ Angle PSI SER 379 155.00 175.00 19 8.03 10.08 ++++++++ ++*++++++++ Angle PSI LYS 380 -48.00 -28.00 20 12.56 16.80 ++++++++*+++++++++++ Angle PSI GLU 381 -50.00 -30.00 20 9.81 13.30 +++++++++++++*++++++ Angle PHI GLN 382 -76.00 -56.00 16 8.30 13.20 ++++++++++ +*+++ + Angle PSI GLN 382 -48.00 -28.00 7 4.21 6.69 + ++ * + + + Angle PHI MET 383 -75.00 -55.00 15 6.68 11.82 +++ +++++ ++++* ++ Angle PSI MET 383 -52.00 -32.00 9 4.96 10.30 + + + + +++ + * Angle PHI LEU 384 -73.00 -53.00 19 7.94 11.62 + ++++++++++++++*+++ Angle PSI LEU 384 -52.00 -32.00 12 6.99 17.84 +++ +++ ++ +++* Angle PHI GLU 385 -75.00 -55.00 8 3.98 9.66 + + + + *+++ Angle PSI GLU 385 -54.00 -34.00 11 5.50 10.56 ++ + + +*++ + ++ Angle PHI LEU 387 -77.00 -57.00 14 6.33 12.32 +* ++ +++ +++ ++++ Angle PSI LEU 387 -51.00 -31.00 9 4.84 10.71 + + ++ +*+++ Angle PHI VAL 388 -78.00 -58.00 19 10.61 15.75 ++++++ +*+++++++++++ Angle PHI GLN 391 -74.00 -54.00 8 3.86 11.92 + ++ *+ + ++ Angle PHI PHE 392 -74.00 -54.00 19 8.91 14.91 ++++*+++++++++++++ + Angle PSI PRO 397 132.20 154.90 20 23.39 27.55 +++++++++++*++++++++ Angle PSI PRO 398 -46.00 -28.00 20 16.69 21.56 +++++*++++++++++++++ Angle PSI GLU 399 -47.00 -27.00 17 6.57 11.74 ++++++++++++*++++ Angle PHI ILE 400 -73.00 -53.00 20 15.63 18.60 +++++++*++++++++++++ Angle PHI GLY 410 58.00 92.00 19 9.07 14.07 + ++*+++++++++++++++ Angle PSI PRO 412 -44.00 -28.00 9 5.26 13.06 + +* + ++ +++ Angle PHI GLU 414 -74.00 -54.00 9 5.05 12.53 ++ ++ + *++ + Angle PHI ALA 415 -76.00 -56.00 16 7.05 10.57 +++ ++ +++++++ +*+ + Angle PSI ALA 415 -49.00 -29.00 6 3.35 12.46 + + *+ ++ 491 violated distance constraints. 105 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.65 +/- 0.19 A (0.38..1.11 A; 20 structures) Average heavy atom RMSD to mean : 1.01 +/- 0.17 A (0.74..1.38 A; 20 structures)