Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1242.55 417 0.2326 7.12 865 450.4 1.54 10410.0729 47.75 2 1245.56 436 0.2354 7.23 849 443.4 1.52 105 9.9905 45.21 3 1250.76 412 0.2347 7.24 863 446.7 1.55 103 9.9057 40.77 4 1272.42 393 0.2335 5.61 891 464.4 1.24 9611.3514 54.23 5 1273.67 442 0.2445 7.30 770 410.1 1.26 95 8.3168 33.00 6 1279.73 462 0.2395 7.22 850 439.5 1.27 93 9.5566 50.63 7 1280.20 439 0.2374 4.86 842 455.3 1.27 10210.1603 45.77 8 1284.58 427 0.2398 4.92 871 452.8 1.21 8910.0988 54.51 9 1299.73 436 0.2382 7.06 852 451.5 1.38 10510.3476 50.44 10 1302.07 433 0.2400 4.78 889 470.8 1.36 10911.2614 66.62 11 1304.04 443 0.2443 7.21 852 438.6 1.52 96 9.9635 47.43 12 1305.69 440 0.2368 7.44 810 445.9 1.97 97 7.4766 29.92 13 1308.84 415 0.2344 7.41 825 463.0 2.17 106 7.9664 33.90 14 1310.28 433 0.2433 4.46 825 443.4 1.30 94 9.6787 45.00 15 1318.67 426 0.2388 6.86 885 466.9 1.74 10210.0400 47.54 16 1320.39 454 0.2404 4.41 910 479.0 1.30 109 9.9745 52.96 17 1322.20 457 0.2469 4.27 854 437.5 1.19 101 9.7531 47.15 18 1327.64 415 0.2403 6.13 811 450.1 1.24 11212.5106 56.61 19 1332.15 441 0.2422 7.38 899 469.6 1.57 106 9.4278 41.28 20 1332.69 457 0.2430 7.52 809 439.7 2.16 101 8.2718 33.83 Ave 1295.69 434 0.2393 6.32 851 450.9 1.49 101 9.8062 46.23 +/- 27.54 17 0.0039 1.20 34 15.1 0.30 6 1.1436 8.80 Min 1242.55 393 0.2326 4.27 770 410.1 1.19 89 7.4766 29.92 Max 1332.69 462 0.2469 7.52 910 479.0 2.17 11212.5106 66.62 Cut 0.60 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 12 0.93 1.60 + + +++ + * ++ ++ + peak 1528 Upper QB ALA 43 - HD1 TRP 72 3.17 20 1.24 1.46 ++*+++++++++++++++++ peak 223 Upper QB ALA 43 - HE1 TRP 72 5.13 15 0.68 0.92 + ++++++*++ +++ ++ peak 258 Upper H ARG 44 - HD2 ARG 44 5.27 12 0.50 0.68 + ++++ ++ *++ ++ peak 705 Upper H ARG 44 - HD1 TRP 72 4.13 9 0.58 0.78 + ++ +*+ + ++ peak 54 Upper H LEU 45 - HG LEU 45 3.23 7 0.32 0.82 ++ * +++ + peak 686 Upper HA LEU 45 - QD PHE 47 4.24 8 0.59 0.90 + + +* + +++ peak 103 Upper HA ARG 46 - H PHE 50 4.81 11 0.55 0.81 ++ ++ + ++ ++ *+ peak 771 Upper QD PHE 47 - QD1 LEU 65 4.18 9 0.60 1.18 + +++* + ++ + peak 2398 Upper QD PHE 47 - H ARG 70 4.68 9 0.52 0.84 + + + *++ ++ + peak 97 Upper QD PHE 47 - QG1 VAL 88 4.75 15 0.86 1.44 ++ ++ ++++++ ++*+ + peak 2761 Upper QD PHE 47 - QG2 VAL 88 3.57 10 0.85 1.71 + + ++*++ + ++ peak 8237 Upper QE PHE 47 - QD2 LEU 62 5.32 15 0.88 2.09 +++ + * +++++ +++++ peak 2310 Upper QE PHE 47 - HG LEU 65 3.76 10 0.46 0.93 ++ + *+ + ++ ++ peak 317 Upper HZ PHE 47 - QG1 VAL 88 3.76 15 0.82 1.40 ++++++++++ + ++* + peak 293 Upper HA PHE 50 - HB3 HIS 51 4.65 9 0.59 0.75 *+ ++ ++ + ++ peak 2038 Upper HB3 PHE 50 - QB ALA 95 4.79 13 0.76 1.50 +++ ++ + +++ *+ ++ peak 2008 Upper QD PHE 50 - HG LEU 65 3.49 16 0.83 1.15 +++++++*+ + + +++ ++ peak 283 QD PHE 50 - QD2 LEU 68 Upper QD PHE 50 - QD1 LEU 65 3.56 10 0.58 0.90 *+ + + + ++ +++ peak 284 Upper QD PHE 50 - QB ALA 395 3.01 20 5.84 7.52 +++++++++++++++++++* peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 17 1.30 1.87 ++* ++++++++++++++ peak 60 Upper QE PHE 50 - H GLU 53 5.13 8 0.49 0.92 + * +++ + + + peak 797 Upper QE PHE 50 - QG GLU 53 5.27 13 0.72 1.23 ++*+ +++ + ++ +++ peak 2090 Upper QE PHE 50 - HG LEU 65 4.06 15 0.87 1.62 +++ +++++ +++ ++* + peak 270 QE PHE 50 - QD2 LEU 68 Upper QE PHE 50 - QD1 LEU 65 3.99 15 0.81 1.49 +++ +++++ +++++ *+ peak 271 Upper QE PHE 50 - QD1 LEU 68 3.94 14 0.74 1.26 + ++ +++++ +++*+ + peak 269 Upper QE PHE 50 - HA PHE 92 4.45 14 0.76 1.44 +++ +++ + +*++++ + peak 84 Upper QE PHE 50 - QB ALA 395 3.33 20 4.22 5.80 ++++++++++++*+++++++ peak 8164 Upper HB2 HIS 51 - QB ALA 95 5.20 14 0.73 1.30 +++ *++ + +++ + + ++ peak 2051 Upper HB3 HIS 51 - QB ALA 95 3.75 20 1.67 2.27 ++++*+++++++++++++++ peak 8174 Upper HE1 HIS 51 - HB2 GLU 53 4.21 10 0.54 1.20 + + + + + ++++ * peak 259 Upper H TYR 52 - HG LEU 96 5.22 10 1.01 2.38 + + + + + *+++ + peak 793 Upper HA TYR 52 - QE TYR 52 4.76 6 0.53 0.68 + + + * + + peak 2068 Upper QB TYR 52 - HD3 PRO 97 5.00 16 0.97 1.38 +++ +++ +++++ +++ *+ peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 15 1.23 2.04 ++++++ + +++++ ++* peak 8347 Upper QD TYR 52 - QB ALA 61 2.84 11 0.80 1.86 + + *+ + +++ + ++ peak 244 Upper QD TYR 52 - HB3 LEU 96 3.49 11 0.58 1.17 + ++ + ++++* ++ peak 249 Upper QD TYR 52 - HG3 PRO 97 5.03 14 0.71 1.23 +++ ++ ++++++ +*+ peak 3432 Upper QD TYR 52 - HD2 PRO 97 3.20 14 0.71 1.23 +*+ ++ ++++++ + ++ peak 40 Upper QD TYR 52 - HD3 PRO 97 3.70 16 0.80 1.22 +*+ +++ +++++ +++ ++ peak 241 Upper QD TYR 52 - QG2 VAL 119 3.77 18 0.98 1.57 +*+++++++++++++ +++ peak 250 Upper QD TYR 52 - QB ALA 395 3.67 20 2.72 3.91 ++++++++*+++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 2.94 3.91 +++++++++++++*++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 2.42 3.47 ++++++*+++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 2.06 3.44 ++++++++++++++++*+++ peak 8115 Upper QE TYR 52 - HB THR 56 3.73 13 0.85 1.69 + + +++* ++++++ + peak 47 Upper QE TYR 52 - H ALA 61 4.72 18 1.52 2.50 +++ +++++++++++++ +* peak 871 Upper QE TYR 52 - QB ALA 61 2.93 20 2.37 3.43 ++++*+++++++++++++++ peak 233 Upper QE TYR 52 - QD PHE 92 4.66 20 1.58 1.96 ++*+++++++++++++++++ peak 140 Upper QE TYR 52 - QE PHE 92 4.04 12 0.68 1.38 ++*++ ++ + + + ++ peak 109 Upper QE TYR 52 - HZ PHE 92 4.30 12 0.75 1.73 ++++++ + +++ * + peak 115 Upper QE TYR 52 - HB VAL 119 3.21 20 1.44 2.06 ++*+++++++++++++++++ peak 231 Upper QE TYR 52 - QB ALA 395 4.32 19 2.09 3.42 +++ ++++++*+++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 2.15 2.86 +++++++++++++++++*++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 19 2.04 4.29 +++++++ +++++++++*++ peak 8114 Upper HB2 GLU 53 - QG2 THR 56 4.17 6 0.39 0.98 +* ++ + + peak 2582 Upper HB3 GLU 53 - QG2 THR 56 4.16 15 1.04 1.84 +++ +++ +++++ +*++ peak 2081 Upper QG GLU 53 - HA GLU 54 5.18 14 0.63 0.92 ++ + + + *+++++++ + peak 2085 Upper QG GLU 53 - QB ALA 55 3.51 9 0.54 1.07 +++* +++ ++ peak 1710 Upper QG GLU 53 - H GLY 57 4.13 7 0.46 1.58 +++ + + *+ peak 823 H GLY 57 - HB2 GLU 60 Upper QG GLU 53 - QB ALA 61 3.58 17 0.86 1.39 ++++* +++ +++++++ ++ peak 1607 HB2 GLU 60 - QB ALA 61 Upper QG GLU 54 - H GLY 57 4.76 7 0.47 1.22 *+ ++ + ++ peak 825 Upper H ALA 55 - QG2 THR 56 4.48 11 0.57 1.17 ++ +++ + ++ +*+ peak 812 Upper QB ALA 55 - HB THR 56 3.89 7 0.55 1.52 ++ *+ + + + peak 8150 Upper QB ALA 55 - H GLY 57 3.84 7 0.64 1.25 *++ + + ++ peak 826 Upper HB THR 56 - HB2 GLU 60 3.83 7 0.56 1.46 ++*+ + ++ peak 2332 HB2 GLU 60 - HA ALA 61 Upper HB THR 56 - HG2 GLU 60 4.22 20 1.47 2.10 +++++++++++++++++++* peak 2104 Upper QG2 THR 56 - QB ALA 61 3.54 13 0.77 1.67 + + + ++*+ +++++ + peak 1600 Upper QG2 THR 56 - HE21 GLN 64 3.68 18 0.82 1.71 +++++++++ +++ +++*++ peak 1772 Upper QG2 THR 56 - HE22 GLN 64 4.38 10 0.60 1.46 * + + + ++ ++ + + peak 1770 Upper H GLY 57 - H GLU 60 5.03 18 1.02 1.96 +*++++ ++ ++++++++++ peak 398 Upper HA PRO 58 - H LEU 62 4.82 8 0.44 1.12 + ++ + * + + + peak 875 Upper HA PRO 58 - QB ALA 116 4.62 8 0.53 1.14 + + ++ +* + + peak 1625 Upper HB2 PRO 58 - H ALA 117 4.89 18 1.31 2.00 +++ *++++++++++++ ++ peak 1290 Upper HB2 PRO 58 - H VAL 119 5.29 7 0.51 1.51 + * ++ + ++ peak 2171 Upper HB3 PRO 58 - HE22 GLN 59 3.74 10 0.55 0.97 + ++ *++ ++ + + peak 8254 HB3 PRO 58 - QD PHE 92 Upper HB3 PRO 58 - HA ALA 116 3.71 6 0.43 1.09 + * ++ + + peak 8252 Upper HB3 PRO 58 - QB ALA 116 3.67 9 0.66 1.76 + + ++ *+ ++ + peak 2138 Upper HG2 PRO 58 - QB ALA 116 3.50 7 0.39 1.02 + + +* + + + peak 1621 Upper HG2 PRO 58 - HB2 ASP 120 3.94 12 1.06 2.40 +++ ++ +++ ++ *+ peak 1489 Upper HG2 PRO 58 - HB3 ASP 120 3.92 17 1.29 2.57 ++ *++++++++++++ ++ peak 1486 Upper HG2 PRO 58 - H GLY 121 4.45 14 0.75 1.10 + ++++++++ ++++ * peak 1317 HB VAL 119 - H GLY 121 Upper HD2 PRO 58 - HE21 GLN 59 5.07 9 0.74 1.89 + + ++ +++ + * peak 846 Upper HD3 PRO 58 - QG2 VAL 119 3.84 8 0.44 1.64 + + + * + + ++ peak 1758 Upper H GLN 59 - H LEU 62 4.76 9 0.53 1.23 + + + + ++++* peak 161 Upper H GLN 59 - HB2 LEU 62 4.88 13 0.72 1.28 ++ ++*+ + + +++++ peak 838 Upper H GLN 59 - HG LEU 62 4.91 20 1.55 2.84 ++++++++++*+++++++++ peak 839 Upper H GLN 59 - QD1 LEU 62 3.96 12 0.67 1.74 + + + +++++*+++ peak 8308 Upper H GLN 59 - QG2 VAL 119 5.05 6 0.40 1.30 + + * + ++ peak 841 Upper HA GLN 59 - H ALA 63 4.50 6 0.29 0.99 +* + + + + peak 2216 Upper QB GLN 59 - H LEU 62 4.02 8 0.52 1.19 + + + ++++* peak 881 HB2 GLU 60 - H LEU 62 Upper QB GLN 59 - H ALA 63 4.06 16 0.98 1.68 ++ ++ ++++++ ++++* + peak 897 Upper QB GLN 59 - QB ALA 116 3.12 15 1.14 2.25 ++ + *+++ ++++++ ++ peak 8137 Upper HG2 GLN 59 - H GLU 60 4.31 9 0.49 1.26 * + +++ + ++ + peak 2224 Upper HG2 GLN 59 - QB ALA 116 4.09 11 0.72 2.14 + ++++ +++ *+ + peak 2206 Upper HG3 GLN 59 - QB ALA 116 3.59 7 0.55 1.84 ++ + * ++ + peak 1622 Upper HE21 GLN 59 - QD1 LEU 62 4.94 8 0.36 1.11 + + + ++ + *+ peak 852 Upper HE21 GLN 59 - QB ALA 117 4.41 14 1.49 3.09 ++++++ +++++* ++ peak 849 Upper HE22 GLN 59 - HA ALA 117 4.84 12 0.82 1.80 ++++ *+++ ++ ++ peak 868 Upper HE22 GLN 59 - QB ALA 117 4.63 16 1.12 1.87 + +++++++*+++++ ++ peak 855 Upper H GLU 60 - HG3 GLU 60 3.52 12 0.69 1.30 ++ *++ +++++ ++ peak 860 Upper H GLU 60 - HA ALA 61 4.54 15 0.78 1.20 ++++*++++ +++ + ++ peak 2256 Upper H GLU 60 - H LEU 62 4.12 6 0.40 0.90 + + ++* + peak 175 Upper H GLU 60 - QB ALA 63 4.44 10 0.60 1.36 + ++ +*++ + + + peak 863 Upper HA GLU 60 - H ALA 63 3.44 6 0.43 1.24 + ++++ * peak 389 Upper HB3 GLU 60 - H ALA 61 3.58 14 0.64 0.99 ++ + +*+ ++++++ ++ peak 2252 Upper HB3 GLU 60 - QB ALA 63 3.65 17 1.14 2.10 + +++++*++++ ++++++ peak 2234 Upper HG3 GLU 60 - QB ALA 61 4.09 7 0.49 1.21 + + + ++ * + peak 1606 Upper HG3 GLU 60 - HE22 GLN 64 3.84 10 0.56 1.33 + +++ + + +* ++ peak 923 Upper H ALA 61 - H ALA 63 3.31 13 0.73 1.72 + +++++ ++ + +*++ peak 178 Upper QB ALA 61 - QD2 LEU 62 4.50 13 0.61 1.14 ++++ + * +++++ ++ peak 1595 Upper QB ALA 61 - QE PHE 92 3.31 11 0.54 1.24 +++ *+ +++ + ++ peak 158 Upper QB ALA 61 - HZ PHE 92 4.16 11 0.64 1.38 +++ *+ +++ + ++ peak 171 Upper QB ALA 61 - QD PHE 392 3.23 20 4.21 4.93 ++++++++++*+++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 3.41 4.78 +++++++++*++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 12 0.63 1.54 ++++++ * +++ + + peak 884 Upper H LEU 62 - HA ALA 63 4.23 18 1.07 1.54 ++ ++++ *+++++++++++ peak 876 Upper HB3 LEU 62 - H ALA 63 3.57 9 0.40 0.87 ++ + + +++* + peak 901 Upper HB3 LEU 62 - QB ALA 116 3.64 13 1.18 3.08 ++ *++ ++ ++ + + ++ peak 8139 Upper QD1 LEU 62 - H ARG 66 5.40 11 0.60 1.84 + +* + +++ ++++ peak 2306 Upper QD1 LEU 62 - HG2 GLU 113 4.95 9 0.55 1.51 + +++ + + + *+ peak 3832 Upper QD1 LEU 62 - HG3 GLU 113 4.54 7 0.43 1.39 ++ + + + *+ peak 3835 Upper QD1 LEU 62 - H ALA 115 4.36 20 1.68 2.55 ++++++++++++++++*+++ peak 8310 Upper QD1 LEU 62 - H ALA 117 5.09 13 0.74 2.10 +++++++ + +++*+ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.89 2.67 +++++++*++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 2.56 4.75 +++++++++++++++++*++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 11 0.84 1.93 + + +* + + + ++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 18 1.26 2.07 +++++++++ ++++++ *++ peak 8267 Upper QD2 LEU 62 - H LEU 65 4.60 6 0.38 1.15 ++ * + ++ peak 2315 Upper QD2 LEU 62 - QD2 LEU 65 3.81 20 1.32 2.00 +++++++++++++++++*++ peak 2374 Upper QD2 LEU 62 - H LEU 89 4.25 8 0.52 0.87 *++ + + ++ + peak 8218 QD2 LEU 62 - H ALA 116 Upper QD2 LEU 62 - HA LEU 89 3.39 18 1.27 1.80 +*++++ ++ ++++++++++ peak 8214 Upper QD2 LEU 62 - H GLN 91 5.15 11 0.62 1.03 +*+ + + +++++ + peak 2312 QD2 LEU 62 - H ALA 115 Upper QD2 LEU 62 - H PHE 92 4.60 18 0.99 1.74 ++++++ *+ ++++++++++ peak 2317 Upper QD2 LEU 62 - HA PHE 92 5.01 6 0.49 1.08 + * ++++ peak 3228 Upper QD2 LEU 62 - QE PHE 92 3.90 12 0.70 1.44 ++++ ++ ++ + *++ peak 166 Upper QD2 LEU 62 - H LEU 93 5.00 20 2.08 2.62 +++++++*++++++++++++ peak 1173 Upper QD2 LEU 62 - HD3 PRO 112 3.44 16 0.74 1.16 ++*+ ++ +++++ ++ +++ peak 8213 Upper QD2 LEU 62 - HG2 GLU 113 5.18 6 0.31 1.14 + + * + ++ peak 3833 Upper QD2 LEU 62 - HG3 GLU 113 4.95 7 0.36 1.25 + + + + + +* peak 3834 Upper QD2 LEU 62 - HA ALA 115 5.29 18 0.95 1.57 ++++++ ++ ++++*+++++ peak 3886 QD2 LEU 62 - HA ALA 116 Upper QD2 LEU 62 - QB ALA 115 4.41 14 0.65 1.18 ++++++ *+ +++++ + peak 1678 Upper QD2 LEU 62 - H ALA 116 4.76 15 0.79 1.42 ++++++ ++ ++++* + + peak 977 Upper QD2 LEU 62 - QB ALA 116 3.40 17 0.97 1.82 ++++++ + ++++*+++++ peak 8208 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 2.36 3.44 ++++++++++++++++*+++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 2.10 3.82 +++++++++++++++++*++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 2.23 3.38 +++++++++++++++++*++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.95 12 1.29 2.99 + + *++++ + +++ + peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 1.77 2.43 +++++++++++++++++*++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 16 1.57 3.13 ++ + *+++++ +++++++ peak 8268 Upper H GLN 64 - H ARG 66 4.31 6 0.46 1.02 * + ++ + + peak 208 Upper HA GLN 64 - HG3 GLN 64 3.35 8 0.44 0.84 + + + ++ ++ * peak 1339 Upper HA GLN 64 - HE21 GLN 64 4.68 11 0.58 0.87 ++ * ++ ++ ++ ++ peak 396 Upper HA GLN 64 - HE22 GLN 64 4.93 12 0.59 1.32 ++ ++ ++ * +++ ++ peak 394 Upper HB3 GLN 64 - H LEU 65 3.60 10 0.51 0.76 ++ + + ++ ++ +* peak 2348 Upper QD1 LEU 65 - H GLU 67 5.20 14 0.68 1.05 *+ ++ + +++ ++++++ peak 957 Upper QD2 LEU 65 - QD PHE 92 4.14 10 0.68 1.56 +++ +* +++ + + peak 2402 Upper QB ARG 66 - H VAL 88 4.88 17 0.96 1.54 ++ * +++ +++++++++++ peak 2448 Upper QG ARG 66 - HG2 GLU 67 4.63 6 0.38 1.32 + + + * + + peak 2456 Upper QG ARG 66 - HG3 GLU 67 5.00 7 0.52 1.22 + + + * ++ + peak 2459 Upper QG ARG 66 - QG1 VAL 88 3.71 11 0.58 1.11 ++ + +*+ + ++ + + peak 8198 Upper H GLU 67 - QD2 LEU 68 4.55 7 0.49 1.29 + * + ++ + + peak 956 Upper HA GLU 67 - HD3 ARG 70 4.60 8 0.57 0.95 + * ++ ++ ++ peak 2591 Upper QD2 LEU 68 - H CYS 69 3.83 11 0.69 1.05 + + +++ + *+ ++ + peak 2535 Upper QD2 LEU 68 - H ARG 70 4.51 11 0.58 0.98 + + + *+++ ++ + + peak 991 H ARG 70 - HB3 LEU 73 Upper HA CYS 69 - HD1 TRP 72 4.48 20 1.23 1.75 +++++++++++++*++++++ peak 2537 Upper HA CYS 69 - QG2 VAL 88 4.09 18 0.98 1.48 ++* +++++++++++++ ++ peak 8233 Upper HB3 CYS 69 - HB3 LEU 73 3.84 19 1.20 1.70 +++ ++++++++++*+++++ peak 8275 Upper H ARG 70 - QB LEU 84 4.45 9 0.52 0.91 + + +* ++ + ++ peak 8249 Upper HG3 ARG 70 - H ARG 74 4.94 17 0.75 1.03 +++++++++++ + ++ ++* peak 2604 Upper HD2 ARG 70 - QD1 LEU 84 4.45 18 0.69 0.87 +++*++++ ++++ ++++++ peak 2570 Upper HD3 ARG 70 - QD1 LEU 84 4.58 16 0.71 0.85 ++*+++ +++++++ +++ peak 2567 Upper QB GLN 71 - H LEU 73 4.58 8 0.59 0.91 + * +++ +++ peak 751 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 20 0.84 0.86 +++++++++++*++++++++ peak 212 Upper HB3 TRP 72 - H ARG 74 4.89 16 0.83 1.20 +++++++ ++++ *+++ + peak 993 Upper HD1 TRP 72 - QD2 LEU 73 4.25 16 1.13 1.63 +++ + ++++*++ ++ +++ peak 227 Upper HE3 TRP 72 - HG LEU 73 4.80 13 0.87 1.49 ++ ++ + ++ +* ++++ peak 1934 HZ3 TRP 72 - HG LEU 73 Upper HE3 TRP 72 - QD1 LEU 73 4.00 9 0.62 1.77 *+ ++ + ++++ peak 1925 HZ3 TRP 72 - QD1 LEU 73 Upper HE3 TRP 72 - QD2 LEU 87 4.17 17 0.77 1.35 +++*++ +++++++ ++++ peak 8228 Upper HE1 TRP 72 - HG LEU 87 4.94 7 0.52 1.16 +* + + ++ + peak 264 Upper HZ2 TRP 72 - HA LEU 87 4.43 19 1.21 1.70 ++ *++++++++++++++++ peak 121 Upper H LEU 73 - QE MET 83 4.10 17 0.78 1.17 +++++++++++ +*+ ++ + peak 8128 Upper HA LEU 73 - QD2 LEU 73 3.36 13 0.54 0.77 +*+ + ++ ++ + + +++ peak 1783 Upper HB2 LEU 73 - H MET 83 4.91 20 1.72 2.33 ++++*+++++++++++++++ peak 1076 Upper HB3 LEU 73 - HD3 PRO 75 5.08 16 0.78 1.23 +++ + +++++ ++++ +*+ peak 2681 Upper HB3 LEU 73 - QE MET 83 2.70 6 0.27 0.91 + +* + ++ peak 8122 HG LEU 73 - QE MET 83 Upper HG LEU 73 - QD2 LEU 87 3.10 16 0.74 1.21 ++ *++++++ + ++++++ peak 8229 Upper QD1 LEU 73 - HA MET 83 4.58 7 0.33 1.17 ++ + + +*+ peak 1924 Upper QD1 LEU 73 - H LEU 86 5.17 9 0.45 1.05 ++ + ++ + +*+ peak 1100 Upper QD2 LEU 73 - HA LEU 86 5.23 8 0.58 1.20 *+ + + +++ + peak 1785 Upper QD2 LEU 73 - HG LEU 86 4.41 9 0.48 1.49 + ++* ++ +++ peak 3066 Upper H ARG 74 - HD2 PRO 75 3.52 10 0.53 0.78 ++ + + ++++ +* peak 313 Upper HD3 PRO 75 - HG LEU 84 3.73 7 0.60 1.26 + ++ * ++ + peak 2677 Upper QB GLU 76 - QG2 VAL 77 3.61 6 0.55 0.89 + ++ + + * peak 1731 Upper H VAL 77 - HB3 ARG 78 4.02 17 0.78 1.11 ++++++++++ +++++*+ peak 1019 Upper HD2 ARG 78 - H GLN 82 5.50 16 0.81 1.19 ++++ + ++++++ ++*+ + peak 2836 Upper HA LYS 80 - QE MET 83 3.00 11 0.69 1.62 + + ++ +++ + +*+ peak 1639 Upper H GLU 81 - QD1 LEU 84 4.55 12 0.63 1.10 * +++++ + + +++ + peak 1046 Upper HA GLN 82 - H GLU 85 3.73 18 0.86 1.47 ++++++++*++ + ++++++ peak 385 Upper HA MET 83 - QD2 LEU 86 4.08 9 0.61 1.12 + + + + + +* + + peak 2975 Upper HB2 MET 83 - QB LEU 84 4.10 11 0.60 0.86 ++ ++ * + +++++ peak 3000 Upper HA LEU 84 - HB2 LEU 87 4.41 7 0.39 1.03 ++ + + * ++ peak 3131 Upper QB LEU 84 - H LEU 87 4.34 13 0.57 0.81 ++ + ++ +++ ++ ++* peak 3011 Upper QB LEU 84 - HA VAL 88 4.43 20 1.05 1.61 +++++++*++++++++++++ peak 3138 Upper HG LEU 84 - H GLU 85 4.14 7 0.36 0.79 ++ ++ + +* peak 3021 Upper QD1 LEU 84 - H LEU 87 4.35 7 0.56 0.91 ++ + + + *+ peak 8320 Upper H GLU 85 - HB VAL 88 3.16 20 1.26 2.83 ++++*+++++++++++++++ peak 1084 Upper QB GLU 85 - H GLY 110 4.76 20 1.30 1.95 ++++++++++++++++*+++ peak 3043 Upper QB GLU 85 - H SER 111 4.20 10 0.60 1.06 + +++++ + + * + peak 3041 Upper HG2 GLU 85 - H SER 111 4.72 20 1.24 1.58 +++++++++++++*++++++ peak 3039 Upper HG3 GLU 85 - QG1 VAL 88 4.03 18 0.82 1.16 +++ +++ ++++++++*+++ peak 3030 Upper H LEU 86 - HG LEU 86 3.52 10 0.56 1.01 + ++* +++ +++ peak 3075 Upper H LEU 86 - HB2 LEU 87 3.77 13 0.75 1.62 + + *++++++ + +++ peak 1092 H LEU 86 - HB VAL 88 Upper HA LEU 86 - HB2 LEU 89 4.50 16 1.12 1.79 + +*+ +++ ++++++ +++ peak 1888 Upper QD2 LEU 86 - HB2 LEU 87 3.72 10 0.61 1.21 + +++ +*+ + + + peak 3052 Upper QD2 LEU 86 - QD1 LEU 87 2.40 18 1.01 1.69 +++++++ *++++++++++ peak 3049 Upper H LEU 87 - HA VAL 88 3.93 20 1.06 1.20 +++++++*++++++++++++ peak 376 Upper QD2 LEU 87 - H GLU 90 4.96 12 0.68 1.19 ++ + +++++ * +++ peak 3092 Upper QG1 VAL 88 - H GLU 90 4.12 17 0.73 1.13 ++ ++++ +++++++*+++ peak 8205 Upper QG1 VAL 88 - H GLN 91 3.97 10 0.57 0.74 +*++ + + + +++ peak 1159 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 2.46 4.92 +++++++*++++++++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 2.53 4.10 +++++++*++++++++++++ peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 4.28 18 0.91 1.54 ++++ +++ ++++*++++++ peak 3778 Upper H LEU 89 - HG2 PRO 112 4.02 6 0.43 0.98 + ++ * + + peak 1129 Upper H LEU 89 - HG3 PRO 112 4.67 19 0.95 1.30 +++++++++*+++++++ ++ peak 3813 Upper HB2 LEU 89 - H LEU 93 4.84 20 1.31 1.65 ++++*+++++++++++++++ peak 1175 Upper QD1 LEU 89 - HD2 PRO 112 4.70 10 0.59 1.25 +++++ *+++ + peak 3775 Upper H GLU 90 - QD2 LEU 93 3.90 19 0.82 1.21 +++++*+++ ++++++++++ peak 1147 Upper H GLU 90 - HD3 PRO 112 4.88 12 0.66 1.21 +++ +++ *++ + + + peak 411 Upper HA GLN 91 - HA2 GLY 94 4.01 9 0.52 1.01 + + + + + +* ++ peak 3220 Upper HA GLN 91 - H ALA 95 5.16 7 0.49 0.98 + *++ + + + peak 1860 Upper H PHE 92 - HB3 PRO 112 4.29 9 0.63 1.62 + +++*+ + ++ peak 1166 Upper QD PHE 92 - QB ALA 361 3.23 20 4.35 5.29 +++++++++++++++++*++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 2.69 4.05 +++++++++++++*++++++ peak 8215 Upper QE PHE 92 - QB ALA 361 3.18 20 3.16 4.52 +++++++++++++++++*++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 2.17 3.70 +++*++++++++++++++++ peak 8216 Upper HZ PHE 92 - H VAL 119 4.66 7 0.44 0.80 + + +++ * + peak 627 Upper HZ PHE 92 - HB VAL 119 4.66 13 0.77 1.35 + +++ +++ + +*+ + + peak 3966 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 3.19 5.15 +++*++++++++++++++++ peak 8306 Upper QD2 LEU 93 - HG2 GLN 101 3.99 11 0.73 2.08 +++++ ++*++ + peak 3269 Upper HA3 GLY 94 - HB2 LEU 96 4.70 15 0.74 1.14 ++++++ ++++++ * ++ peak 3340 Upper QB ALA 95 - QD PHE 350 3.01 20 5.95 7.44 +++++++++++*++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 4.57 5.76 +++++++++++*++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 15 1.23 1.94 ++++++ ++ +*+ + +++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 3.05 3.98 +*++++++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 19 2.64 3.48 +*+ ++++++++++++++++ peak 8176 Upper HA LEU 96 - HG2 PRO 97 3.73 20 0.78 0.86 ++++++++++++++++++*+ peak 3408 Upper HB3 LEU 96 - HE22 GLN 101 4.92 18 1.03 1.46 ++++++++++++++ *+++ peak 1208 Upper HB3 LEU 96 - QD TYR 352 5.50 20 2.71 4.11 +++++++++++++++++*++ peak 8340 Upper QD1 LEU 96 - QG2 ILE 100 2.93 20 1.09 1.90 ++++++++++++++++*+++ peak 1609 Upper QD1 LEU 96 - HG13 ILE 100 5.19 7 0.34 0.86 + + + * ++ + peak 3470 Upper QD1 LEU 96 - QB ALA 115 3.96 6 0.33 1.09 + *++ + + peak 1679 Upper QD2 LEU 96 - HG2 PRO 97 4.44 18 0.99 1.55 *++++ ++++++++++++ + peak 1748 Upper QD2 LEU 96 - HG3 PRO 97 5.09 9 0.57 1.06 * + ++ ++ +++ peak 3410 Upper QD2 LEU 96 - HD2 PRO 97 3.71 6 0.44 0.83 +++ + + * peak 1751 Upper QD2 LEU 96 - H ILE 100 4.86 12 0.63 1.22 + ++ ++ + ++ ++* + peak 284 Upper QD2 LEU 96 - QG2 ILE 100 3.23 8 0.57 1.70 + + + + + ++* peak 3465 Upper QD2 LEU 96 - HB3 GLN 101 5.44 11 0.66 1.02 +++ ++ ++ ++ +* peak 4064 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.98 3.04 ++++++++++*+++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 2.22 2.95 +++++++*++++++++++++ peak 8182 Upper HB2 PRO 97 - QD1 ILE 100 4.17 13 0.63 0.90 ++++++ * +++ ++ + peak 3396 Upper HD2 PRO 97 - HB ILE 100 4.62 8 0.58 1.29 +* + + + +++ peak 3483 Upper HA PRO 98 - H GLN 101 3.53 11 0.64 0.89 + ++++ + + *+ + + peak 469 Upper HA GLU 99 - QG2 ILE 100 4.54 14 0.59 0.70 +++ ++ ++*++ ++ ++ peak 2034 HA GLU 99 - QD1 ILE 100 Upper QB GLU 99 - QD1 ILE 100 3.24 20 0.91 1.25 +++*++++++++++++++++ peak 2725 Upper QG GLU 99 - QG2 ILE 100 4.03 10 0.50 0.87 ++ ++ + * + ++ + peak 1613 Upper HB ILE 100 - HB2 GLN 101 3.89 13 0.66 1.01 +++*+ ++++++++ peak 3456 Upper HG12 ILE 100 - QG1 VAL 119 3.90 16 0.91 1.58 + ++*++++ +++++++ + peak 3953 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.90 2.85 +++++++++++++++++*++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 2.31 3.89 +++*++++++++++++++++ peak 8114 Upper QB ALA 102 - QG GLN 105 3.94 12 0.54 1.19 +++++++ ++++* peak 4097 Upper HA ARG 103 - QQG VAL 104 3.90 18 0.73 0.88 ++ ++++++++++++* +++ peak 3578 Upper HA VAL 104 - QD2 LEU 118 3.96 14 0.72 1.44 ++ ++++ +++++* ++ peak 3938 Upper H GLN 107 - H ARG 108 3.50 16 0.75 0.99 ++ +++ ++++ ++++++* peak 491 Upper H GLN 107 - HD3 PRO 109 4.30 9 0.55 1.03 + ++ ++ + * ++ peak 529 Upper HA PRO 109 - H ALA 115 4.43 17 0.98 1.49 + +++++++ ++++*++++ peak 573 Upper HD2 PRO 109 - QD2 LEU 118 4.35 7 0.31 0.87 + ++ + *+ + peak 3939 Upper HB2 PRO 112 - QD1 LEU 362 4.16 12 1.23 3.33 +++ +++ + * +++ + peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.95 12 1.00 2.54 ++ ++ +++ + +*++ peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.30 19 2.10 4.32 ++++ ++++++++*++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 2.04 3.38 ++++++++++++++++*+++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 14 1.41 3.18 +++ +++ +++ + +*++ peak 8268 Upper H GLU 113 - HG2 GLU 113 3.81 6 0.27 0.85 * + + + ++ peak 1266 Upper H GLU 113 - HA GLU 114 4.39 19 0.86 1.12 +++++++++ +++++*++++ peak 3875 Upper HA GLU 113 - H ALA 115 4.07 9 0.62 1.04 + * ++++ + ++ peak 567 Upper HG2 GLU 113 - QB ALA 116 4.88 15 0.92 1.49 + + +++++++++*+ ++ peak 3838 Upper HG3 GLU 113 - QB ALA 116 4.51 10 0.71 1.52 ++ +++++ + *+ peak 3839 Upper H GLU 114 - HG2 GLU 114 3.42 6 0.36 1.15 + *+ + + + peak 1276 Upper H GLU 114 - QD2 LEU 118 4.61 9 0.53 1.09 + +*+ ++ + ++ peak 1278 Upper HA GLU 114 - H ALA 116 3.61 10 0.64 1.15 ++ +*+ + + ++ + peak 3874 Upper QB GLU 114 - H ALA 117 4.06 14 0.82 1.33 + ++*+ ++ + ++++++ peak 1292 Upper HG2 GLU 114 - QD2 LEU 118 3.84 7 0.38 0.97 + ++ + *+ + peak 3879 Upper HG3 GLU 114 - QD2 LEU 118 3.60 9 0.43 1.23 + +* + ++ ++ + peak 3876 Upper H ALA 115 - QB ALA 116 3.77 11 0.63 0.93 + ++ *+++ ++ ++ peak 1285 Upper QB ALA 115 - H ALA 117 3.72 19 0.84 1.29 ++++++++++++++++ +*+ peak 1295 Upper HA ALA 116 - H ASP 120 4.05 10 0.67 1.67 + *++ +++ + ++ peak 624 Upper H ALA 117 - HB2 ASP 120 4.69 7 0.63 1.99 * + ++ ++ + peak 1289 Upper QB ALA 117 - HB3 ASP 120 4.32 13 0.67 1.12 +++ +++++ *+ + ++ peak 1487 Upper H LEU 118 - QG2 VAL 119 4.48 9 0.56 1.48 +++ + * + +++ peak 8191 Upper H VAL 119 - HA ASP 120 4.69 6 0.56 0.70 + +* ++ + peak 626 Upper QG2 VAL 119 - HB2 LEU 122 3.82 13 0.86 1.99 + ++++*+ ++++ ++ peak 3956 Upper QG2 VAL 119 - QB ARG 123 3.83 7 0.41 1.22 * + + + +++ peak 3955 Upper HB3 ASP 120 - H LEU 122 4.85 12 0.56 1.00 +++ ++ +++ ++ *+ peak 1323 Upper QB ALA 343 - HG LEU 368 3.84 14 0.89 1.78 +++++ +++* ++ ++ + peak 1528 Upper QB ALA 343 - HD1 TRP 372 3.17 20 1.28 1.42 +++++++++++++++*++++ peak 223 Upper QB ALA 343 - HE1 TRP 372 5.13 15 0.79 1.21 +++ +++ ++++++*++ peak 258 Upper H ARG 344 - HD2 ARG 344 5.27 9 0.45 0.68 +++ ++ ++ +* peak 705 Upper H ARG 344 - HD1 TRP 372 4.13 6 0.55 1.02 + ++ ++ * peak 54 Upper H LEU 345 - HG LEU 345 3.23 9 0.39 0.91 ++ * + + ++ + + peak 686 Upper HA LEU 345 - QD PHE 347 4.24 10 0.74 1.96 + + + +++*+++ peak 103 Upper HA LEU 345 - H CYS 349 4.31 6 0.54 1.25 + ++ + * + peak 759 Upper HA ARG 346 - H PHE 350 4.81 12 0.66 1.56 ++ + +* +++ ++ + + peak 771 Upper QD PHE 347 - QD1 LEU 365 4.18 7 0.56 0.99 + + ++++* peak 2398 Upper QD PHE 347 - H ARG 370 4.68 7 0.37 0.85 ++ +*+ ++ peak 97 Upper QD PHE 347 - QG1 VAL 388 4.75 10 0.51 0.94 ++ *+ + +++ + + peak 2761 Upper QD PHE 347 - QG2 VAL 388 3.57 7 0.65 1.91 + *++ + + + peak 8237 Upper QE PHE 347 - QD2 LEU 362 5.32 9 0.56 1.55 + * + +++ + + + peak 2310 Upper QE PHE 347 - HG LEU 365 3.76 10 0.38 0.91 ++ + +++ + + + * peak 317 Upper HZ PHE 347 - HA CYS 369 4.80 12 0.69 1.33 ++ ++ ++ ++++*+ peak 285 Upper HZ PHE 347 - QG1 VAL 388 3.76 9 0.58 1.29 +*++ + ++ ++ peak 293 Upper QG ARG 348 - H PHE 350 4.39 6 0.47 0.79 ++ + + * + peak 777 H PHE 350 - QB ALA 395 Upper HA PHE 350 - HB3 HIS 351 4.65 18 0.70 0.95 + ++++++++++++++* ++ peak 2038 Upper HA PHE 350 - QB ALA 395 4.26 6 0.27 1.11 +* + + ++ peak 1717 HA TYR 352 - QB ALA 395 Upper HB3 PHE 350 - QB ALA 395 4.79 18 1.21 2.42 +++ +++++++++*+++ ++ peak 2008 Upper QD PHE 350 - HB3 GLN 364 3.90 6 0.40 1.62 + + * + + + peak 276 Upper QD PHE 350 - HG LEU 365 3.49 15 0.76 1.52 +++++++ +++ +*+ ++ peak 283 QD PHE 350 - QD2 LEU 368 Upper QD PHE 350 - QD1 LEU 368 3.16 8 0.55 1.27 ++* + + +++ peak 279 Upper QD PHE 350 - QB ALA 395 3.01 6 0.37 1.36 ++++ * + peak 278 Upper QE PHE 350 - QD TYR 352 3.46 15 1.17 2.43 +++++* +++ ++ + + ++ peak 60 Upper QE PHE 350 - H GLU 353 5.13 6 0.40 1.12 + *+ + + + peak 797 Upper QE PHE 350 - QG GLU 353 5.27 12 0.67 1.61 +++* ++++ + + ++ peak 2090 Upper QE PHE 350 - HB3 GLN 364 3.80 7 0.72 3.23 +++ * + ++ peak 265 Upper QE PHE 350 - HG LEU 365 4.06 15 0.97 2.12 +++ +++ ++++++*+ + peak 270 QE PHE 350 - QD2 LEU 368 Upper QE PHE 350 - QD1 LEU 365 3.99 12 0.65 1.39 +*+ + + + ++ ++ ++ peak 271 Upper QE PHE 350 - QD1 LEU 368 3.94 16 1.09 2.23 ++++++*++++ +++++ peak 269 Upper QE PHE 350 - HA PHE 392 4.45 12 0.71 1.46 +++ ++ + +*++ ++ peak 84 Upper HB2 HIS 351 - QB ALA 395 5.20 18 1.14 2.13 +++ +++++++++*+++ ++ peak 2051 Upper HB3 HIS 351 - QB ALA 395 3.75 20 2.06 3.19 ++++++++++++++++*+++ peak 8174 Upper H TYR 352 - HG LEU 396 5.22 11 1.31 3.40 + ++ +* + + ++++ peak 793 Upper H TYR 352 - HD2 PRO 397 5.06 7 0.99 3.47 ++ + +++* peak 789 Upper HA TYR 352 - QB ALA 395 3.94 6 0.45 1.65 +* + + ++ peak 8166 Upper QB TYR 352 - QD2 LEU 396 4.16 8 0.44 1.17 + + ++ + + +* peak 8179 Upper QB TYR 352 - HD2 PRO 397 4.82 8 0.47 0.94 + + + +++ * + peak 2061 Upper QB TYR 352 - HD3 PRO 397 5.00 16 0.92 1.34 +++ ++ ++*++++ ++++ peak 3382 Upper QD TYR 352 - H THR 356 4.34 6 0.35 1.40 +* + + ++ peak 63 Upper QD TYR 352 - HB THR 356 3.66 6 0.52 2.30 +* + + ++ peak 44 Upper QD TYR 352 - QB ALA 361 2.84 12 0.74 1.52 +++ *+ + +++ + ++ peak 244 Upper QD TYR 352 - HB3 LEU 396 3.49 10 0.97 2.63 + ++++ ++ * ++ peak 249 Upper QD TYR 352 - HG3 PRO 397 5.03 13 0.69 1.23 +++ ++ + ++++* ++ peak 3432 Upper QD TYR 352 - HD2 PRO 397 3.20 13 0.75 1.23 +++ ++ + ++++* + + peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 12 0.72 1.48 +++ ++ + +++*+ + peak 241 Upper QD TYR 352 - QG2 VAL 419 3.77 19 1.20 1.82 ++++++* ++++++++++++ peak 250 Upper QE TYR 352 - HB THR 356 3.73 12 1.07 2.60 ++ + +* + +++ ++ + peak 47 Upper QE TYR 352 - QG2 THR 356 4.13 8 0.44 1.35 + + *+++ + + peak 236 Upper QE TYR 352 - HB2 PRO 358 3.81 7 0.59 1.53 * ++ + + + + peak 230 Upper QE TYR 352 - H ALA 361 4.72 14 1.31 2.22 +++ *+ ++ +++++ ++ peak 871 Upper QE TYR 352 - QB ALA 361 2.93 20 2.20 3.19 ++++++++++++++++++*+ peak 233 Upper QE TYR 352 - QD PHE 392 4.66 20 1.60 2.09 +++++++*++++++++++++ peak 140 Upper QE TYR 352 - QE PHE 392 4.04 13 0.67 1.39 +++ ++ +++++ * ++ peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 14 0.85 1.34 ++* ++ ++ ++ + ++++ peak 115 Upper QE TYR 352 - HB VAL 419 3.21 20 1.77 2.70 +++++++++++++++*++++ peak 231 Upper HB3 GLU 353 - QG2 THR 356 4.16 10 0.78 1.62 + + + + +++ * ++ peak 2081 Upper QG GLU 353 - HA GLU 354 5.18 14 0.66 0.98 +++++*++ ++++ + + peak 2085 Upper QG GLU 353 - QB ALA 355 3.51 14 0.81 1.46 +++++ * ++ ++++++ peak 1710 Upper QG GLU 353 - QB ALA 361 3.58 11 0.69 1.55 ++++++ + + *++ peak 1607 HB2 GLU 360 - QB ALA 361 Upper QG GLU 354 - H GLY 357 4.76 7 0.55 1.29 + + + * ++ + peak 825 Upper H ALA 355 - QG2 THR 356 4.48 11 0.59 1.19 + + ++*+++ + + + peak 812 Upper QB ALA 355 - HB THR 356 3.89 6 0.56 1.61 + + + + * + peak 8150 Upper QB ALA 355 - H GLY 357 3.84 10 0.66 1.33 + + + ++* ++++ peak 826 Upper HA THR 356 - HB THR 356 2.40 6 0.50 0.62 + + +++ * peak 110 Upper HB THR 356 - HB2 GLU 360 3.83 6 0.47 1.68 + ++ + * + peak 2332 HB2 GLU 360 - HA ALA 361 Upper HB THR 356 - HG2 GLU 360 4.22 14 1.11 2.49 +++ + + *+++++ +++ peak 2104 Upper HB THR 356 - HG3 GLU 360 4.34 6 0.39 1.40 +++ * + + peak 2105 Upper QG2 THR 356 - H ALA 361 3.85 6 0.48 1.48 ++ + + + * peak 894 Upper QG2 THR 356 - QB ALA 361 3.54 13 0.78 1.79 ++++* ++++ ++++ peak 1600 Upper QG2 THR 356 - HE21 GLN 364 3.68 16 0.95 2.24 +++*++ +++++ + ++++ peak 1772 Upper QG2 THR 356 - HE22 GLN 364 4.38 10 0.70 1.86 +*+++ + ++ ++ peak 1770 Upper H GLY 357 - H GLU 360 5.03 17 0.97 2.14 +++++++++ ++++* +++ peak 398 Upper HA PRO 358 - H LEU 362 4.82 6 0.41 1.13 + + + * ++ peak 875 Upper HA PRO 358 - QB ALA 416 4.62 9 0.49 1.32 ++ ++ + ++ +* peak 1625 Upper HB2 PRO 358 - H ALA 417 4.89 12 1.10 2.23 +++ ++ + +++ + +* peak 1290 Upper HB3 PRO 358 - HE22 GLN 359 3.74 9 0.56 1.16 + ++ ++ ++ +* peak 8254 HB3 PRO 358 - QD PHE 392 Upper HB3 PRO 358 - HA ALA 416 3.71 7 0.50 1.74 + + ++ + *+ peak 8252 Upper HB3 PRO 358 - QB ALA 416 3.67 11 0.69 2.01 ++ ++ + ++ + +*+ peak 2138 Upper HG2 PRO 358 - HB2 ASP 420 3.94 11 0.86 2.62 + + ++ ++*+ + ++ peak 1489 Upper HG2 PRO 358 - HB3 ASP 420 3.92 12 0.77 1.78 +++ ++ +++++ + * peak 1486 Upper HG2 PRO 358 - H GLY 421 4.45 13 0.67 1.17 +++ + ++*++ + +++ peak 1317 HB VAL 419 - H GLY 421 Upper HD2 PRO 358 - HE21 GLN 359 5.07 7 0.52 1.92 + * + ++ ++ peak 846 Upper HD3 PRO 358 - HE22 GLN 359 5.10 6 0.33 1.09 ++ ++ * + peak 2162 Upper H GLN 359 - H LEU 362 4.76 7 0.48 1.30 +++ + +*+ peak 161 Upper H GLN 359 - HB2 LEU 362 4.88 11 0.63 1.57 ++ + *+ ++ ++++ peak 838 Upper H GLN 359 - HG LEU 362 4.91 20 1.68 3.08 ++++++++++++++++++*+ peak 839 Upper H GLN 359 - QD1 LEU 362 3.96 10 0.67 1.55 ++ +* + + + +++ peak 8308 Upper HA GLN 359 - QD2 LEU 362 4.69 8 0.41 1.05 + *+ + + ++ + peak 2195 Upper QB GLN 359 - H LEU 362 4.02 7 0.54 1.30 ++ + + + +* peak 881 HB2 GLU 360 - H LEU 362 Upper QB GLN 359 - H ALA 363 4.06 14 0.69 1.60 ++*++ ++ +++ + +++ peak 897 Upper QB GLN 359 - QB ALA 416 3.12 6 0.53 1.71 + + ++* + peak 8137 Upper HG3 GLN 359 - H GLU 360 4.14 11 0.57 1.57 +++ + + ++ + +*+ peak 2220 Upper HG3 GLN 359 - QD1 LEU 362 4.65 6 0.48 2.02 ++ + + *+ peak 2207 Upper HE21 GLN 359 - QD1 LEU 362 4.94 9 0.62 1.54 + * + ++ ++++ peak 852 Upper HE21 GLN 359 - QB ALA 417 4.41 9 0.68 2.56 + + ++ + *++ + peak 849 Upper HE22 GLN 359 - QB ALA 417 4.63 6 0.46 1.66 ++ ++* + peak 855 Upper H GLU 360 - HG3 GLU 360 3.52 13 0.68 1.21 ++ ++++*+++ ++ + peak 860 Upper H GLU 360 - HA ALA 361 4.54 14 0.79 1.14 + + ++*+++ +++++ + peak 2256 Upper H GLU 360 - QB ALA 363 4.44 7 0.44 1.47 +++++ + * peak 863 Upper HA GLU 360 - H ALA 363 3.44 7 0.47 1.20 *++ + + + + peak 389 Upper HB3 GLU 360 - H ALA 361 3.58 11 0.58 0.84 ++* ++ + ++ + + + peak 2252 Upper HB3 GLU 360 - QB ALA 363 3.65 14 1.07 2.34 ++*+++ + +++ + +++ peak 2234 Upper HG2 GLU 360 - H LEU 362 5.17 8 0.45 1.09 +++ ++ * + + peak 2244 Upper HG3 GLU 360 - QB ALA 361 4.09 8 0.49 1.58 + +++*+++ peak 1606 Upper HG3 GLU 360 - HE22 GLN 364 3.84 12 0.62 1.38 + + + + + + *+++++ peak 923 Upper H ALA 361 - H ALA 363 3.31 11 0.68 1.39 +++*++ + ++ ++ peak 178 Upper QB ALA 361 - QD2 LEU 362 4.50 9 0.45 1.19 ++++ + + + * + peak 1595 Upper QB ALA 361 - QE PHE 392 3.31 12 0.68 1.37 +++ *+ +++++ + + peak 158 Upper QB ALA 361 - HZ PHE 392 4.16 14 0.81 1.45 +++ *+ +++++ + + ++ peak 171 Upper H LEU 362 - HG LEU 362 3.15 13 0.66 1.54 ++++ + +++ ++++ * peak 884 Upper H LEU 362 - HA ALA 363 4.23 18 0.99 1.50 *++++ +++++++++++++ peak 876 Upper HB3 LEU 362 - QB ALA 416 3.64 8 0.73 2.87 ++ + + *+ + + peak 8139 Upper QD1 LEU 362 - H ARG 366 5.40 11 0.69 1.41 + ++ ++ + ++ *++ peak 2306 Upper QD1 LEU 362 - QG1 VAL 388 3.83 6 0.49 1.35 + + * + ++ peak 2270 Upper QD1 LEU 362 - HG2 GLU 413 4.95 6 0.36 1.41 + + ++ + * peak 3832 Upper QD1 LEU 362 - H ALA 415 4.36 17 1.41 2.11 ++++++ ++++++++ + *+ peak 8310 Upper QD1 LEU 362 - H ALA 417 5.09 11 0.60 1.41 ++ +++ *+++ + + peak 1299 Upper QD2 LEU 362 - HG LEU 365 4.50 6 0.45 1.78 + + + + * + peak 2375 Upper QD2 LEU 362 - QD2 LEU 365 3.81 13 0.86 1.90 ++++++ + ++ + ++* peak 2374 Upper QD2 LEU 362 - H LEU 389 4.25 9 0.53 0.92 ++ + +++ * ++ peak 8218 QD2 LEU 362 - H ALA 416 Upper QD2 LEU 362 - HA LEU 389 3.39 16 1.07 1.77 ++++++ ++ +++ + +*++ peak 8214 Upper QD2 LEU 362 - H GLN 391 5.15 10 0.51 0.97 ++++ + + + * ++ peak 2312 QD2 LEU 362 - H ALA 415 Upper QD2 LEU 362 - H PHE 392 4.60 11 0.65 1.52 ++++ + + ++ + * + peak 2317 Upper QD2 LEU 362 - QE PHE 392 3.90 10 0.49 1.21 +++* ++ + + ++ peak 166 Upper QD2 LEU 362 - H LEU 393 5.00 14 1.41 2.62 ++++++ + +++ + *++ peak 1173 Upper QD2 LEU 362 - HD3 PRO 412 3.44 19 0.97 1.92 + ++++++++*+++++++++ peak 8213 Upper QD2 LEU 362 - HA GLU 413 4.15 7 0.36 0.82 +* ++ ++ + peak 8156 Upper QD2 LEU 362 - HA ALA 415 5.29 15 0.85 1.60 +*++ + +++ ++ + ++++ peak 3886 QD2 LEU 362 - HA ALA 416 Upper QD2 LEU 362 - QB ALA 415 4.41 16 0.81 1.57 ++++ + ++++++ * ++++ peak 1678 Upper QD2 LEU 362 - H ALA 416 4.76 14 0.89 1.47 +*++ + +++ + + ++++ peak 977 Upper QD2 LEU 362 - QB ALA 416 3.40 17 0.88 1.71 +*++ +++++ ++ ++++++ peak 8208 Upper HA GLN 364 - HG3 GLN 364 3.35 7 0.50 0.84 + ++ + ++ * peak 1339 Upper HA GLN 364 - HE21 GLN 364 4.68 9 0.43 0.85 ++ ++ ++ + + * peak 396 Upper HA GLN 364 - HE22 GLN 364 4.93 6 0.40 1.23 ++ + + + * peak 394 Upper HB3 GLN 364 - H LEU 365 3.60 6 0.48 0.83 ++ +*+ + peak 2348 Upper QD1 LEU 365 - H GLU 367 5.20 17 0.75 0.99 ++ ++++++++++++* ++ peak 957 Upper QD1 LEU 365 - QB ALA 395 3.86 6 0.39 1.23 + ++ * ++ peak 1712 Upper QD2 LEU 365 - H GLN 391 4.71 10 0.58 1.53 + +++ ++ + +* + peak 1153 Upper QD2 LEU 365 - QD PHE 392 4.14 15 0.97 1.45 +++ ++++*++ + + + ++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.87 11 0.80 1.81 + ++++ ++*+ ++ peak 8295 Upper QB ARG 366 - H VAL 388 4.88 20 0.95 1.32 ++++++++++++++++*+++ peak 2448 Upper HA GLU 367 - HD3 ARG 370 4.60 12 0.70 1.21 ++ ++++ + ++*++ peak 2591 Upper QD2 LEU 368 - H CYS 369 3.83 9 0.62 0.90 +*+++ ++ + + peak 2535 Upper QD2 LEU 368 - H ARG 370 4.51 10 0.54 1.12 * ++ ++ + ++ ++ peak 991 H ARG 370 - HB3 LEU 373 Upper HA CYS 369 - HD1 TRP 372 4.48 20 1.15 1.44 ++++*+++++++++++++++ peak 2537 Upper HA CYS 369 - HB3 LEU 373 4.04 8 0.38 1.26 + + +* + + ++ peak 2555 Upper HA CYS 369 - QG2 VAL 388 4.09 19 0.95 1.47 +++++++++*++++++++ + peak 8233 Upper HB3 CYS 369 - HB3 LEU 373 3.84 17 1.12 1.88 + +++ +*+++ ++++++++ peak 8275 Upper HG3 ARG 370 - H ARG 374 4.94 19 0.91 1.45 +++ ++*+++++++++++++ peak 2604 Upper HD2 ARG 370 - QD1 LEU 384 4.45 12 0.61 0.97 +*+ ++ + ++ ++ ++ peak 2570 Upper HD3 ARG 370 - QD1 LEU 384 4.58 16 0.64 0.87 *++ ++ ++++++++ ++ + peak 2567 Upper QB GLN 371 - H LEU 373 4.58 11 0.63 1.06 + ++ ++ +++*+ + peak 751 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 20 0.84 0.88 +++++++++++++++*++++ peak 212 Upper HB3 TRP 372 - H ARG 374 4.89 17 0.79 1.04 ++++++++*+++ +++ ++ peak 993 Upper HD1 TRP 372 - HB3 LEU 373 3.94 6 0.51 1.17 + ++ + + * peak 225 Upper HD1 TRP 372 - QD2 LEU 373 4.25 16 1.02 1.62 + +++ ++ ++ ++*+++++ peak 227 Upper HE3 TRP 372 - HB3 LEU 373 4.11 6 0.44 1.50 + + + ++ * peak 208 Upper HE3 TRP 372 - HG LEU 373 4.80 13 0.77 1.45 + +++ ++++*++ ++ peak 1934 HZ3 TRP 372 - HG LEU 373 Upper HE3 TRP 372 - QD1 LEU 373 4.00 7 0.58 1.62 ++++* + + peak 1925 HZ3 TRP 372 - QD1 LEU 373 Upper HE3 TRP 372 - QD2 LEU 387 4.17 16 0.73 0.99 ++ ++*+++ ++++++ ++ peak 8228 Upper HE1 TRP 372 - HG LEU 387 4.94 8 0.48 0.83 ++ + * ++++ peak 264 Upper HZ2 TRP 372 - HA LEU 387 4.43 20 1.32 1.87 ++++++++++++++++*+++ peak 121 Upper H LEU 373 - QE MET 383 4.10 13 0.63 1.06 +++*++ + +++ + ++ peak 8128 Upper HA LEU 373 - QD2 LEU 373 3.36 12 0.49 0.77 + + ++ ++ *+++ ++ peak 1783 Upper HB2 LEU 373 - H MET 383 4.91 20 1.62 2.10 ++++++++++*+++++++++ peak 1076 Upper HB3 LEU 373 - HD3 PRO 375 5.08 14 0.74 1.21 * ++ ++ ++ +++++++ peak 2681 Upper HG LEU 373 - QD2 LEU 387 3.10 15 0.73 1.01 + ++++++*++ +++++ peak 8229 Upper QD1 LEU 373 - HA MET 383 4.58 7 0.33 1.08 + *+ +++ + peak 1924 Upper QD1 LEU 373 - H LEU 386 5.17 7 0.41 0.96 + + ++* ++ peak 1100 Upper QD1 LEU 373 - HB2 LEU 387 5.21 6 0.32 1.00 + ++ + *+ peak 3130 Upper QD2 LEU 373 - QB LEU 384 4.08 6 0.37 1.40 + *+ + + + peak 2938 Upper QD2 LEU 373 - HA LEU 386 5.23 10 0.64 1.06 ++*+ +++ + ++ peak 1785 Upper QD2 LEU 373 - HG LEU 386 4.41 8 0.47 1.46 *+ +++ + + + peak 3066 Upper HD3 PRO 375 - HG LEU 384 3.73 10 0.57 0.80 +++ + +++ *+ + peak 2677 Upper H VAL 377 - HB3 ARG 378 4.02 19 0.79 1.13 +++ ++++++*+++++++++ peak 1019 Upper HD2 ARG 378 - H GLN 382 5.50 19 0.96 1.24 ++++*+++++ +++++++++ peak 2836 Upper HA LYS 380 - QE MET 383 3.00 12 0.68 1.17 + +++* +++++ + + peak 1639 Upper H GLU 381 - QD1 LEU 384 4.55 12 0.65 1.13 + ++ + ++ + +* +++ peak 1046 Upper HA GLN 382 - H GLU 385 3.73 19 0.95 1.42 +++++++++* +++++++++ peak 385 Upper HA MET 383 - QD2 LEU 386 4.08 8 0.55 1.13 +*+ + + + + + peak 2975 Upper HB2 MET 383 - QB LEU 384 4.10 8 0.53 0.82 + ++ + + +* + peak 3000 Upper HG2 MET 383 - QD2 LEU 387 4.77 6 0.36 1.17 *+++ + + peak 2961 Upper HA LEU 384 - HB2 LEU 387 4.41 12 0.62 1.42 + * ++ + +++++++ peak 3131 Upper QB LEU 384 - H LEU 387 4.34 12 0.53 0.83 + + ++ + *++++++ peak 3011 Upper QB LEU 384 - HA VAL 388 4.43 19 1.01 1.35 + +++++++++++*++++++ peak 3138 Upper HG LEU 384 - H GLU 385 4.14 8 0.32 0.85 + ++ * + + ++ peak 3021 Upper QD1 LEU 384 - H LEU 387 4.35 13 0.67 1.18 + +++++ +++ +*++ peak 8320 Upper H GLU 385 - HB VAL 388 3.16 20 1.24 2.58 +++++*++++++++++++++ peak 1084 Upper QB GLU 385 - H GLY 410 4.76 20 1.26 1.71 ++++++*+++++++++++++ peak 3043 Upper QB GLU 385 - H SER 411 4.20 8 0.60 0.99 + *+ ++ ++ + peak 3041 Upper HG2 GLU 385 - H SER 411 4.72 19 1.14 1.81 ++++++*+++++++++ +++ peak 3039 Upper HG3 GLU 385 - QG1 VAL 388 4.03 14 0.74 1.16 + ++++ ++ * +++ +++ peak 3030 Upper H LEU 386 - HG LEU 386 3.52 9 0.49 1.04 ++ ++*+ + + + peak 3075 Upper H LEU 386 - HB2 LEU 387 3.77 10 0.75 1.47 *++ ++++ + + + peak 1092 H LEU 386 - HB VAL 388 Upper HA LEU 386 - HB2 LEU 389 4.50 16 1.17 1.74 ++++++ ++ +++ * ++++ peak 1888 Upper QD2 LEU 386 - HB2 LEU 387 3.72 6 0.45 1.41 *++ + + + peak 3052 Upper QD2 LEU 386 - QD1 LEU 387 2.40 16 0.95 1.50 ++ +++++++*+++++ + peak 3049 Upper H LEU 387 - HA VAL 388 3.93 20 0.99 1.11 ++++++++*+++++++++++ peak 376 Upper QD2 LEU 387 - H GLU 390 4.96 13 0.78 1.47 ++ ++ +++++++* + peak 3092 Upper QG1 VAL 388 - H GLU 390 4.12 15 0.72 1.26 +++ + +*+ ++++ ++++ peak 8205 Upper QG2 VAL 388 - HG3 PRO 412 4.28 11 0.55 1.23 *++ + + +++ + ++ peak 3778 Upper H LEU 389 - HG3 PRO 412 4.67 14 0.58 1.01 ++++*+ + +++ + +++ peak 3813 Upper HB2 LEU 389 - H LEU 393 4.84 20 1.14 1.68 +++++++++*++++++++++ peak 1175 Upper HB2 LEU 389 - H GLY 410 4.58 6 0.50 2.39 *+ + + ++ peak 1253 Upper H GLU 390 - QD1 LEU 393 4.33 7 0.50 1.22 +++* + + + peak 1148 Upper H GLU 390 - QD2 LEU 393 3.90 20 1.15 3.01 ++++++*+++++++++++++ peak 1147 Upper H GLU 390 - HD3 PRO 412 4.88 7 0.45 1.00 *+ + + + ++ peak 411 Upper HA GLN 391 - HA2 GLY 394 4.01 8 0.66 2.49 + ++ * ++ ++ peak 3220 Upper HA GLN 391 - H ALA 395 5.16 6 0.51 1.48 + + + * + + peak 1860 Upper H PHE 392 - HB3 PRO 412 4.29 6 0.36 0.77 + + + *++ peak 1166 Upper QE PHE 392 - QD2 LEU 393 3.36 6 0.38 1.08 + + + * + + peak 164 Upper HZ PHE 392 - H VAL 419 4.66 8 0.54 1.58 + +++ + * ++ peak 627 Upper HZ PHE 392 - HB VAL 419 4.66 12 0.70 1.46 +*+++ + +++ + + + peak 3966 Upper H LEU 393 - HA3 GLY 394 4.90 7 0.58 0.70 ++ ++ +* + peak 3309 Upper HA LEU 393 - QB ALA 395 4.31 6 0.41 1.73 ++ + + +* peak 3274 Upper QD2 LEU 393 - HG2 GLN 401 3.99 7 0.53 1.43 + ++ + * + + peak 3269 Upper H GLY 394 - QD1 LEU 396 4.87 6 0.31 1.43 *+ + + ++ peak 1181 Upper HA3 GLY 394 - HB2 LEU 396 4.70 16 0.79 1.12 +++ + +++++++ *++ ++ peak 3340 Upper H ALA 395 - QD2 LEU 396 4.77 12 0.59 1.29 + + ++ + +++ ++* + peak 1112 Upper H LEU 396 - H GLN 401 4.85 6 0.69 1.62 *+ + + ++ peak 468 Upper H LEU 396 - HG3 GLN 401 5.25 6 0.49 1.02 + ++ *++ peak 4101 Upper HA LEU 396 - HG2 PRO 397 3.73 16 0.71 0.88 ++++++ ++ ++++* +++ peak 3408 Upper HB3 LEU 396 - HE22 GLN 401 4.92 14 0.79 1.33 ++++++ + +++ + +*+ peak 1208 Upper QD1 LEU 396 - QG2 ILE 400 2.93 19 0.95 1.39 ++++*++++++ ++++++++ peak 1609 Upper QD1 LEU 396 - H GLN 405 4.70 8 0.53 1.10 ++ ++ *+ ++ peak 1220 Upper QD2 LEU 396 - HG2 PRO 397 4.44 11 0.63 1.56 +*+++ ++ + +++ peak 1748 Upper QD2 LEU 396 - HG3 PRO 397 5.09 6 0.39 1.06 *+ + +++ peak 3410 Upper QD2 LEU 396 - HD2 PRO 397 3.71 6 0.37 0.83 +++ * + + peak 1751 Upper QD2 LEU 396 - HB3 GLN 401 5.44 8 0.45 0.94 + + * +++ + + peak 4064 Upper HB2 PRO 397 - QD1 ILE 400 4.17 13 0.50 0.88 +*+ ++ + +++ + +++ peak 3396 Upper HD2 PRO 397 - HB ILE 400 4.62 12 0.70 1.09 + + *+ +++ +++++ peak 3483 Upper HA PRO 398 - H GLN 401 3.53 8 0.49 0.92 + +*++ ++ + peak 469 Upper HA GLU 399 - QG2 ILE 400 4.54 11 0.50 0.73 ++* ++ + ++ + ++ peak 2034 HA GLU 399 - QD1 ILE 400 Upper HA GLU 399 - H GLN 401 4.48 7 0.52 0.92 + +* + +++ peak 2032 Upper HA GLU 399 - H ALA 402 4.34 6 0.39 0.73 ++ + + +* peak 2033 Upper QB GLU 399 - QD1 ILE 400 3.24 18 0.81 1.15 +++*+++ + ++++++++++ peak 2725 Upper QG GLU 399 - QG2 ILE 400 4.03 9 0.36 0.80 ++ ++ + + + *+ peak 1613 Upper HA ILE 400 - H VAL 404 3.88 10 0.70 1.64 + ++ +*+ ++++ peak 737 Upper HB ILE 400 - HB2 GLN 401 3.89 9 0.58 0.86 + *++ + ++ + + peak 3456 Upper HG12 ILE 400 - QG1 VAL 419 3.90 16 0.84 1.42 ++++++ + +*++++ +++ peak 3953 Upper QD1 ILE 400 - HA VAL 419 4.44 6 0.48 1.12 * ++ + ++ peak 2730 Upper QB ALA 402 - QG GLN 405 3.94 12 0.46 0.96 ++ ++++ + *+ +++ peak 4097 Upper HA ARG 403 - QQG VAL 404 3.90 16 0.69 0.94 ++++++ ++*+++ + +++ peak 3578 Upper HA VAL 404 - QD2 LEU 418 3.96 10 0.62 1.14 ++ ++ ++*+ + + peak 3938 Upper H GLN 407 - H ARG 408 3.50 12 0.53 0.97 + ++ +++*+ + +++ peak 491 Upper H GLN 407 - HD3 PRO 409 4.30 7 0.38 0.96 + +++ +*+ peak 529 Upper HA PRO 409 - H ALA 415 4.43 17 0.95 1.44 *++++++++++++ ++++ peak 573 Upper H GLU 413 - HA GLU 414 4.39 20 0.83 1.05 ++++++++++++*+++++++ peak 3875 Upper HA GLU 413 - H ALA 415 4.07 6 0.53 0.94 +* ++ + + peak 567 Upper HG2 GLU 413 - H GLU 414 4.34 7 0.44 0.77 + * ++++ + peak 3817 Upper HG2 GLU 413 - QB ALA 416 4.88 10 0.61 1.25 *++ + ++++ ++ peak 3838 Upper HG3 GLU 413 - QB ALA 416 4.51 11 0.62 1.22 ++ ++++ + +*++ peak 3839 Upper H GLU 414 - HG2 GLU 414 3.42 8 0.49 1.17 + + + + ++ *+ peak 1276 Upper H GLU 414 - QD2 LEU 418 4.61 14 0.74 1.20 ++ ++ *++ +++++++ peak 1278 Upper HA GLU 414 - H ALA 416 3.61 10 0.60 0.98 + ++ ++* ++ ++ peak 3874 Upper QB GLU 414 - H ALA 417 4.06 16 0.92 1.50 ++ +* ++ +++ +++++++ peak 1292 Upper HG3 GLU 414 - QD2 LEU 418 3.60 6 0.31 1.14 *++ + + + peak 3876 Upper H ALA 415 - QB ALA 416 3.77 8 0.53 0.80 +*+ ++ + + + peak 1285 Upper QB ALA 415 - H ALA 417 3.72 20 0.87 1.23 ++++*+++++++++++++++ peak 1295 Upper HA ALA 416 - H ASP 420 4.05 8 0.54 1.04 + + + ++*+ + peak 624 Upper H ALA 417 - QG1 VAL 419 4.55 6 0.33 1.10 + ++ * + + peak 1298 Upper H ALA 417 - HB2 ASP 420 4.69 6 0.47 1.29 + + + +* + peak 1289 Upper QB ALA 417 - HB3 ASP 420 4.32 10 0.53 1.47 + + ++ +*+ + ++ peak 1487 Upper H LEU 418 - QG2 VAL 419 4.48 8 0.45 1.52 + *++ + + + + peak 8191 Upper H VAL 419 - HA ASP 420 4.69 7 0.55 0.67 + + +* + + + peak 626 Upper QG2 VAL 419 - HB2 LEU 422 3.82 13 0.79 2.22 +++ + + *++ +++ ++ peak 3956 Upper HB3 ASP 420 - H LEU 422 4.85 11 0.48 0.91 + + ++ ++++ + *+ peak 1323 VdW HA ASP 37 - CD PRO 38 2.60 6 0.15 0.30 + + ++ *+ VdW O PRO 38 - C GLY 39 2.80 9 0.16 0.37 +++ +* + + ++ VdW HA2 GLY 39 - CD PRO 40 2.60 7 0.09 0.26 +++ *+ ++ VdW HA3 GLY 39 - CD PRO 40 2.60 13 0.18 0.31 +*+ ++++++ ++ ++ VdW HB2 PRO 40 - HD1 TRP 72 2.00 18 0.25 0.30 ++ +*++ ++++++++++++ VdW H GLU 41 - CG GLU 41 2.55 7 0.12 0.40 + * + + + ++ VdW HB3 ALA 43 - HB2 TRP 72 2.00 9 0.15 0.36 + ++++* + + + VdW O ALA 43 - N PHE 47 2.75 15 0.28 0.44 * ++++++ + + ++ ++++ VdW O ALA 43 - H PHE 47 1.80 10 0.18 0.31 * + +++ + + ++ + VdW O ALA 43 - HB3 PHE 47 2.30 16 0.29 0.44 *++ +++++ + +++++++ VdW HB2 PHE 47 - CB LEU 68 2.60 15 0.35 0.62 + ++* ++++++ +++++ VdW HB2 PHE 47 - HB3 LEU 68 2.00 16 0.37 0.80 ++ ++ +++++ +++*+++ VdW CG PHE 47 - C PHE 47 2.90 16 0.22 0.25 +++++++ + +++ ++*++ VdW CD1 PHE 47 - C PHE 47 3.10 7 0.14 0.41 ++*+ + + + VdW CD1 PHE 47 - N ARG 48 3.05 6 0.11 0.40 + + * + + + VdW HD1 PHE 47 - HB2 LEU 68 2.00 6 0.11 0.49 ++ + ++* VdW CE1 PHE 47 - HZ3 TRP 72 2.60 8 0.15 0.43 + * + +++ ++ VdW CZ PHE 47 - HB2 LEU 87 2.60 10 0.21 0.57 ++ +++* +++ + VdW CZ PHE 47 - CB GLN 91 3.20 9 0.18 0.57 *+ ++ + +++ + VdW CZ PHE 47 - HB2 GLN 91 2.60 6 0.15 0.67 ++ *+ + + VdW HZ PHE 47 - C LEU 87 2.50 19 0.51 0.75 ++++++++++++++++* ++ VdW HZ PHE 47 - O LEU 87 2.30 13 0.27 0.48 + + + ++++ +++ * ++ VdW HZ PHE 47 - N VAL 88 2.45 7 0.13 0.34 +++ * + + + VdW CE2 PHE 47 - CB LEU 65 3.20 6 0.09 0.42 ++*+ + + VdW CE2 PHE 47 - HB3 LEU 65 2.60 7 0.18 0.57 +++* ++ + VdW HE2 PHE 47 - HB3 LEU 65 2.00 6 0.09 0.40 ++ + * + + VdW O PHE 47 - CG GLN 91 2.90 11 0.20 0.44 + ++ ++++* ++ + VdW O PHE 47 - HG2 GLN 91 2.30 14 0.29 0.52 +++ +++ +++ +++ *+ VdW HB3 PHE 50 - NE2 GLN 91 2.45 15 0.31 0.63 ++ ++++++ ++++ + +* VdW CE1 PHE 50 - CA ALA 61 3.20 7 0.14 0.58 + + ++++ * VdW CE1 PHE 50 - HA ALA 61 2.60 10 0.27 0.98 +++++++* + + VdW CZ PHE 50 - CG GLU 60 3.20 8 0.13 0.42 * + +++ + ++ VdW CZ PHE 50 - HG3 GLU 60 2.60 9 0.21 0.53 + + + + *++ ++ VdW CZ PHE 50 - HG3 GLN 64 2.60 9 0.16 0.42 + ++ +++* + + VdW HZ PHE 50 - CG GLU 60 2.60 14 0.34 0.57 + + +++++++++ * ++ VdW HZ PHE 50 - HG3 GLU 60 2.00 14 0.28 0.56 +++ +++ + +*+ + + ++ VdW HZ PHE 50 - CD GLU 60 2.50 6 0.16 0.73 + + +* + + VdW CE2 PHE 50 - CA ALA 61 3.20 7 0.15 0.62 ++ +* ++ + VdW CE2 PHE 50 - HA ALA 61 2.60 8 0.25 0.80 ++ ++++* + VdW CE2 PHE 50 - HG3 GLN 64 2.60 6 0.15 0.76 ++ + * + + VdW HA HIS 51 - O GLY 94 2.30 6 0.15 0.69 + * + ++ + VdW CG HIS 51 - C HIS 51 2.90 20 0.24 0.25 ++++++++++*+++++++++ VdW N TYR 52 - HA ALA 95 2.45 8 0.17 0.54 ++* + + + + + VdW N TYR 52 - O ALA 95 2.75 17 0.39 0.93 ++++++ ++++++ ++*++ VdW H TYR 52 - C ALA 95 2.45 13 0.27 0.67 ++++++ ++ + +*+ + VdW H TYR 52 - O ALA 95 1.80 7 0.18 0.62 ++ + + *++ VdW CA TYR 52 - O ALA 95 2.90 11 0.23 0.77 + ++ + +++ +*++ VdW HA TYR 52 - CG2 THR 56 2.60 7 0.11 0.32 ++ +* + ++ VdW CB TYR 52 - O GLY 57 2.90 11 0.29 0.65 +++ +* + ++ + ++ VdW CB TYR 52 - O ALA 95 2.90 13 0.28 0.94 + ++++ +++++ *+ + VdW HB2 TYR 52 - CG2 THR 56 2.60 7 0.15 0.46 * + + + ++ + VdW HB2 TYR 52 - O GLY 57 2.30 10 0.28 0.77 ++ ++ + +* + ++ VdW HB3 TYR 52 - CA ALA 95 2.60 6 0.16 0.47 * + + ++ + VdW HB3 TYR 52 - CB ALA 95 2.60 15 0.35 0.64 +++++ +* + ++ +++++ VdW CG TYR 52 - C TYR 52 2.90 18 0.22 0.24 +++ ++ *++++++++++++ VdW CG TYR 52 - O TYR 52 2.90 7 0.16 0.37 ++ ++ + + * VdW CG TYR 52 - C GLY 57 3.10 13 0.36 0.72 +++ ++ * +++ ++ ++ VdW CG TYR 52 - O GLY 57 2.90 14 0.39 0.94 +++ +++*++++ +++ VdW CG TYR 52 - O ALA 95 2.90 11 0.28 0.93 +++ + +++++ * + VdW CD1 TYR 52 - C TYR 52 3.10 11 0.28 0.91 + ++ + +++ *++ + VdW CD1 TYR 52 - O TYR 52 2.90 7 0.15 0.66 + + + + + * + VdW CD1 TYR 52 - O GLU 53 2.90 9 0.18 0.65 + ++ + *+ ++ + VdW CD1 TYR 52 - N GLY 57 3.05 7 0.23 0.89 * ++ ++ + + VdW CD1 TYR 52 - CA GLY 57 3.20 6 0.17 0.75 + *+ + + + VdW CD1 TYR 52 - C GLY 57 3.10 13 0.28 0.71 ++ + *++++++ + + + VdW CD1 TYR 52 - O GLY 57 2.90 6 0.15 0.60 + ++ + + * VdW CD1 TYR 52 - N PRO 58 3.05 7 0.14 0.55 ++ * + + + + VdW CD1 TYR 52 - O ALA 95 2.90 6 0.17 1.00 + * + + + + VdW HD1 TYR 52 - O GLU 53 2.30 8 0.13 0.46 + + ++* ++ + VdW CE1 TYR 52 - O GLU 53 2.90 6 0.17 0.59 ++ + *+ + VdW CE1 TYR 52 - CA GLY 57 3.20 7 0.19 0.84 + + +++ * + VdW CE1 TYR 52 - HA2 GLY 57 2.60 6 0.17 0.81 + + + + * + VdW CE1 TYR 52 - C GLY 57 3.10 6 0.12 0.43 + ++ * + + VdW CE2 TYR 52 - O GLU 53 2.90 6 0.15 0.78 ++ + + *+ VdW CE2 TYR 52 - N PRO 58 3.05 7 0.15 0.66 + + ++ *++ VdW CE2 TYR 52 - HD3 PRO 58 2.60 6 0.13 0.61 + + + ++ * VdW CD2 TYR 52 - C TYR 52 3.10 7 0.18 0.84 ++ * + + + + VdW CD2 TYR 52 - O GLU 53 2.90 8 0.16 0.48 +* + + + +++ VdW CD2 TYR 52 - C GLY 57 3.10 10 0.24 0.77 + + + * ++++++ VdW CD2 TYR 52 - N PRO 58 3.05 7 0.16 0.46 + + * +++ + VdW CD2 TYR 52 - CA PRO 58 3.20 9 0.20 0.64 + + +++ ++* + VdW CD2 TYR 52 - HA PRO 58 2.60 7 0.21 0.70 + + ++ ++* VdW CD2 TYR 52 - C ALA 95 3.10 7 0.15 0.53 + ++ *+ + + VdW CD2 TYR 52 - O ALA 95 2.90 8 0.18 0.82 + ++ *+ ++ + VdW HD2 TYR 52 - HA PRO 58 2.00 7 0.16 0.69 + + ++ ++* VdW HD2 TYR 52 - C ALA 95 2.50 7 0.19 0.74 + ++ *+ + + VdW O TYR 52 - O ALA 95 2.60 7 0.23 0.75 +++ + + *+ VdW N GLU 53 - CG GLU 53 2.85 6 0.16 0.20 * + ++++ VdW N GLU 53 - HB THR 56 2.45 7 0.13 0.39 + + + +* + + VdW H GLU 53 - CG GLU 53 2.55 16 0.25 0.38 + + ++++++ +++++* ++ VdW H GLU 53 - HB THR 56 1.95 6 0.16 0.63 + + *+ + + VdW C GLU 53 - N ALA 55 2.95 9 0.17 0.34 ++ +* +++ + + VdW C GLU 53 - H ALA 55 2.45 8 0.17 0.46 ++ +* ++ + + VdW O GLU 53 - N ALA 55 2.75 8 0.18 0.44 ++ + +*+ + + VdW O GLU 53 - N THR 56 2.75 12 0.23 0.43 *+ +++ +++++++ VdW O GLU 54 - O GLU 354 2.60 7 0.14 0.53 + + + +*+ + VdW CG2 THR 56 - C THR 56 2.90 15 0.21 0.32 * ++ ++++ +++++++ + VdW CG2 THR 56 - O THR 56 2.90 7 0.18 0.48 + * + ++ + + VdW CG2 THR 56 - CG GLU 60 3.20 9 0.15 0.46 * +++ + +++ + VdW O THR 56 - O GLY 57 2.60 6 0.16 0.40 + +* ++ + VdW CA GLY 57 - CA GLY 357 3.20 9 0.20 0.82 +++ + + ++* + VdW HA2 GLY 57 - CA GLY 357 2.60 6 0.15 0.81 ++ + +* + VdW HA3 GLY 57 - CA GLY 357 2.60 6 0.13 0.50 + + +*+ + VdW CD PRO 58 - O THR 356 2.90 7 0.13 0.45 ++ + * + + + VdW CA PRO 58 - HB2 GLN 359 2.60 7 0.23 1.33 + ++ +* ++ VdW HA PRO 58 - CB ALA 95 2.60 10 0.27 0.74 ++ ++ + ++ + *+ VdW HA PRO 58 - HB1 ALA 95 2.00 6 0.14 0.67 ++* ++ + VdW CB PRO 58 - CZ PHE 92 3.20 13 0.32 0.77 +* +++++ +++ ++ + VdW CB PRO 58 - HZ PHE 92 2.60 11 0.25 0.82 +++ +++ + + +* + VdW CB PRO 58 - CD1 LEU 96 3.20 7 0.18 0.90 + + * + + + + VdW HB2 PRO 58 - CE1 PHE 92 2.60 10 0.24 0.68 +++ * +++ + + + VdW HB2 PRO 58 - CZ PHE 92 2.60 15 0.59 1.25 ++* +++++ +++ ++ ++ VdW HB2 PRO 58 - HZ PHE 92 2.00 14 0.37 0.77 +++ +++++ ++ +* ++ VdW HB3 PRO 58 - CD1 LEU 96 2.60 7 0.29 1.38 + + * + ++ + VdW HB3 PRO 58 - HD13 LEU 96 2.00 6 0.16 0.78 + + + + *+ VdW C PRO 58 - N GLU 60 2.95 6 0.13 0.49 + + + ++ * VdW C PRO 58 - H GLU 60 2.45 6 0.17 0.78 + + + ++ * VdW C PRO 58 - CB GLN 359 3.10 7 0.30 2.01 + ++ +* ++ VdW C PRO 58 - HB2 GLN 359 2.50 8 0.29 1.24 ++ ++ +* ++ VdW O PRO 58 - N GLU 60 2.75 6 0.19 0.95 + + + ++ * VdW O PRO 58 - N ALA 61 2.75 6 0.15 0.45 + + * +++ VdW N GLN 59 - CA GLN 359 3.05 6 0.24 1.40 + + +* ++ VdW N GLN 59 - CB GLN 359 3.05 7 0.32 1.58 + ++ +* ++ VdW N GLN 59 - HB2 GLN 359 2.45 6 0.19 0.98 ++ *+ ++ VdW CA GLN 59 - HE2 PHE 92 2.60 6 0.13 0.71 ++ + * + + VdW CA GLN 59 - CB GLN 359 3.20 6 0.17 0.88 + + +* ++ VdW CA GLN 59 - CB ALA 395 3.20 6 0.23 1.01 ++ + + *+ VdW HA GLN 59 - HE2 PHE 92 2.00 7 0.19 0.79 +++ + * + + VdW HA GLN 59 - CB ALA 395 2.60 6 0.29 1.17 *+ + + ++ VdW CB GLN 59 - C PRO 358 3.10 7 0.22 1.41 + + + *+ + + VdW CB GLN 59 - N GLN 359 3.05 7 0.24 1.36 + + + *+ + + VdW CB GLN 59 - CA GLN 359 3.20 7 0.20 1.00 + + + ++ *+ VdW CB GLN 59 - CE1 PHE 392 3.20 6 0.14 0.67 + + *++ + VdW CG GLN 59 - C GLN 359 3.10 6 0.21 1.05 ++ * + + + VdW CD GLN 59 - C GLN 359 3.00 6 0.15 0.85 + + *+ ++ VdW NE2 GLN 59 - N ALA 361 2.90 6 0.22 1.20 ++ ++ *+ VdW C GLN 59 - N ALA 61 2.95 9 0.16 0.44 ++ + +* ++ ++ VdW C GLN 59 - H ALA 61 2.45 8 0.15 0.55 + + *+ ++ ++ VdW C GLN 59 - CB GLN 359 3.10 6 0.18 0.88 + + + + * + VdW O GLN 59 - N ALA 61 2.75 10 0.23 0.91 ++ +* ++ ++ ++ VdW O GLN 59 - N LEU 62 2.75 7 0.18 0.69 +* + ++ ++ VdW CG GLU 60 - C GLU 60 2.90 7 0.16 0.24 + *+ ++ + + VdW HG3 GLU 60 - C GLU 60 2.50 11 0.22 0.52 +++ + + ++ + + +* VdW CB ALA 61 - CB ALA 95 3.20 17 0.47 0.79 ++++ +*+++++++++++ VdW CB ALA 61 - HB1 ALA 95 2.60 6 0.15 0.67 + * + + ++ VdW CB ALA 61 - HB2 ALA 95 2.60 9 0.21 0.68 + *+ ++++ + + VdW CB ALA 61 - HB3 ALA 95 2.60 11 0.25 0.76 +*+ ++ + ++++ + VdW HB1 ALA 61 - CB ALA 95 2.60 7 0.19 0.55 + * + + + + + VdW HB1 ALA 61 - HB3 ALA 95 2.00 7 0.15 0.61 ++ * + ++ + VdW HB2 ALA 61 - CB ALA 95 2.60 7 0.14 0.66 + + +* + + + VdW HB3 ALA 61 - CB ALA 95 2.60 11 0.22 0.52 ++* + ++++ +++ VdW C ALA 61 - HG LEU 65 2.50 6 0.13 0.50 + * + + + + VdW O ALA 61 - CG LEU 65 2.90 14 0.35 0.75 +++ + +++ +++++ *+ VdW O ALA 61 - HG LEU 65 2.30 12 0.41 0.95 +++ + +* ++++ ++ VdW O ALA 61 - CD1 LEU 65 2.90 7 0.18 0.60 ++ *++ + + VdW O ALA 61 - CD2 LEU 65 2.90 11 0.24 0.65 +*+ + ++ + +++ + VdW HA LEU 62 - CD1 LEU 65 2.60 6 0.17 0.70 + + ++ + * VdW HA LEU 62 - HD12 LEU 65 2.00 6 0.10 0.49 + + +++ * VdW CB LEU 62 - CD2 PHE 92 3.20 9 0.19 0.80 ++++ + + *+ + VdW CB LEU 62 - HD2 PHE 92 2.60 9 0.32 1.18 +++ + + *+ + + VdW HB2 LEU 62 - CB PRO 112 2.60 6 0.14 0.68 +++ + * + VdW HB3 LEU 62 - CD2 PHE 92 2.60 9 0.27 0.84 ++* + + ++ + + VdW HB3 LEU 62 - HD2 PHE 92 2.00 8 0.31 0.95 ++* + + + + + VdW CG LEU 62 - HB2 PRO 112 2.60 6 0.18 0.65 +++ * + + VdW CD1 LEU 62 - CB PRO 112 3.20 6 0.11 0.44 + * + + + + VdW CD1 LEU 62 - HB2 PRO 112 2.60 7 0.18 0.61 + * ++ + ++ VdW CD2 LEU 62 - C LEU 62 3.10 6 0.23 0.91 +*+ + + + VdW CD2 LEU 62 - CB PRO 112 3.20 9 0.19 0.71 +++ + +*+ ++ VdW CD2 LEU 62 - HB2 PRO 112 2.60 9 0.31 0.99 ++* + +++ ++ VdW N GLN 64 - HG2 GLN 64 2.45 9 0.18 0.38 + ++ + * +++ + VdW H GLN 64 - CG GLN 64 2.55 19 0.31 0.41 ++++++*++++++++++ ++ VdW H GLN 64 - HG2 GLN 64 1.95 12 0.27 0.63 ++++ +++* +++ + VdW CD1 LEU 65 - HG3 GLN 91 2.60 11 0.21 0.68 ++++ + +++ + * + VdW CD1 LEU 65 - N PHE 92 3.05 7 0.13 0.56 * + ++++ + VdW CD2 LEU 65 - HG3 GLN 91 2.60 8 0.17 0.70 + + + + + ++* VdW O LEU 65 - SG CYS 69 3.10 18 0.31 0.61 +++++ ++*++++ ++++++ VdW HA ARG 66 - SG CYS 69 2.80 7 0.15 0.41 + *++ + + + VdW HA ARG 66 - CG2 VAL 88 2.60 7 0.16 0.47 + + + *++ + VdW CG GLU 67 - C GLU 67 2.90 16 0.21 0.24 ++ +*++ + +++++++ ++ VdW CG GLU 67 - N LEU 68 3.05 8 0.16 0.39 + + + *++++ VdW HG3 GLU 67 - C GLU 67 2.50 6 0.12 0.43 + * +++ + VdW O GLU 67 - HG3 GLN 71 2.30 17 0.27 0.44 +++ + *++++++ ++++++ VdW CA LEU 68 - CD1 LEU 68 3.00 8 0.11 0.27 + * ++++ + + VdW HA LEU 68 - CD1 LEU 68 2.60 9 0.18 0.47 + + ++++ + * + VdW HA CYS 69 - CE3 TRP 72 2.60 20 0.38 0.74 ++*+++++++++++++++++ VdW HA CYS 69 - HE3 TRP 72 2.00 20 0.47 0.62 ++++++*+++++++++++++ VdW SG CYS 69 - N ARG 70 3.25 11 0.20 0.40 + ++ + +++ * ++ + VdW SG CYS 69 - H ARG 70 2.75 12 0.21 0.39 + +++ * ++ + ++ + + VdW SG CYS 69 - CG2 VAL 88 3.40 10 0.22 0.69 + * + +++ + +++ VdW O CYS 69 - N TRP 72 2.75 8 0.17 0.41 ++ ++ + + + * VdW O CYS 69 - N LEU 73 2.75 20 0.31 0.55 +++*++++++++++++++++ VdW O CYS 69 - H LEU 73 1.80 18 0.29 0.47 +++*+++ ++++++++ +++ VdW O CYS 69 - CD2 LEU 73 2.90 6 0.11 0.30 + + + ++* VdW HA ARG 70 - CD2 LEU 73 2.60 8 0.12 0.34 ++ + * + +++ VdW O ARG 70 - CA ARG 74 2.90 10 0.17 0.30 ++ * + ++ + +++ VdW O ARG 70 - HA ARG 74 2.30 13 0.25 0.42 ++ + +++++ + + ++* VdW CG TRP 72 - C TRP 72 2.90 20 0.25 0.26 +++++++*++++++++++++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.40 0.51 +++++++++++*++++++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 8 0.16 0.30 ++ + + ++*+ VdW CH2 TRP 72 - CB LEU 87 3.20 8 0.14 0.34 ++ + + * +++ VdW CH2 TRP 72 - HB3 LEU 87 2.60 9 0.18 0.36 + + ++ ++ +* + VdW CH2 TRP 72 - CG LEU 87 3.20 7 0.17 0.35 + * ++ + + + VdW HH2 TRP 72 - CB LEU 87 2.60 7 0.13 0.35 ++ + + * ++ VdW HH2 TRP 72 - HB3 LEU 87 2.00 15 0.28 0.51 *++ ++++ ++++ + +++ VdW HG LEU 73 - SD MET 83 2.80 9 0.12 0.29 *+ + + + ++ + + VdW CD1 LEU 73 - HB3 MET 83 2.60 12 0.25 0.58 ++ + ++++ + + +*+ VdW CD1 LEU 73 - CD1 LEU 87 3.20 7 0.14 0.46 + + + + * ++ VdW HD11 LEU 73 - CG LEU 87 2.60 6 0.09 0.37 +++ *+ + VdW O LEU 73 - C ARG 74 2.80 10 0.19 0.41 ++ + + +* + +++ VdW O LEU 73 - O ARG 74 2.60 13 0.38 0.68 ++ + ++ ++++ + +*+ 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 0.37 ++++++++++++++++++*+ VdW CA PRO 75 - CE MET 83 3.20 9 0.12 0.35 ++ * + ++ + + + VdW HA PRO 75 - CE MET 83 2.60 17 0.44 0.74 +++ *++++++ ++++++ + VdW HB3 PRO 75 - HA LYS 80 2.00 11 0.20 0.38 +++ + + + ++++* VdW H VAL 77 - CG2 VAL 77 2.55 13 0.18 0.28 +*+ +++++++ + ++ VdW CB ARG 78 - N SER 79 2.85 11 0.18 0.21 +++ + +++ * ++ + VdW CB ARG 78 - H SER 79 2.55 18 0.35 0.40 ++++++ +++++* ++++++ VdW O LYS 80 - CB LEU 84 2.90 11 0.22 0.32 + + + +*+ +++++ VdW O LYS 80 - HB2 LEU 84 2.30 17 0.45 0.64 +++ ++ +++*++ ++++++ VdW O GLU 81 - HB2 GLU 85 2.30 12 0.27 0.53 +++*+++ +++ + + VdW O MET 83 - HB3 LEU 86 2.30 16 0.34 0.54 ++ ++++++*+++ + +++ VdW O MET 83 - HD13 LEU 87 2.30 6 0.13 0.49 *++ + + + VdW O MET 83 - CD2 LEU 87 2.90 7 0.18 0.62 + ++*+ + + VdW O MET 83 - HD22 LEU 87 2.30 7 0.18 0.86 + ++* + ++ VdW CA LEU 84 - CD2 LEU 84 3.00 7 0.11 0.26 + + + + *+ + VdW HA LEU 84 - CD2 LEU 87 2.60 10 0.19 0.41 + + ++ *++ ++ + VdW O LEU 84 - CD2 LEU 87 2.90 15 0.28 0.48 ++ ++ ++ ++++ *+ +++ VdW O LEU 84 - HD21 LEU 87 2.30 6 0.13 0.49 + ++ + *+ VdW O LEU 84 - HD23 LEU 87 2.30 6 0.13 0.46 + + * +++ VdW O LEU 84 - N VAL 88 2.75 10 0.18 0.31 + * + +++++ ++ VdW HG2 GLU 85 - CB SER 111 2.60 7 0.15 0.45 + + + * + + + VdW O GLU 85 - HB3 LEU 89 2.30 10 0.23 0.66 + + ++ * + + + ++ VdW HG LEU 86 - CD1 LEU 87 2.60 10 0.32 0.78 + * +++ +++ ++ VdW HG LEU 86 - HD11 LEU 87 2.00 8 0.16 0.50 + * +++ + ++ VdW HG LEU 86 - HD13 LEU 87 2.00 7 0.12 0.51 + * + + ++ + VdW CD1 LEU 86 - C LEU 86 3.10 10 0.21 0.48 +++ * + +++ ++ VdW CD2 LEU 86 - C LEU 86 3.10 8 0.16 0.47 + ++* ++ + + VdW N LEU 87 - CD1 LEU 87 3.05 12 0.23 0.55 ++ + ++ +++ * +++ VdW N LEU 87 - CD2 LEU 87 3.05 17 0.25 0.32 ++ +++++ +++* ++++++ VdW H LEU 87 - CG LEU 87 2.55 13 0.18 0.27 ++ + +* ++++ + +++ VdW H LEU 87 - CD1 LEU 87 2.55 7 0.16 0.53 + + + + + * + VdW H LEU 87 - CD2 LEU 87 2.55 17 0.43 0.59 ++ +++++ ++++ +*++++ VdW H LEU 87 - HD23 LEU 87 1.95 7 0.21 0.68 ++ + * +++ VdW CD2 LEU 87 - H VAL 88 2.55 7 0.13 0.48 + + ++ * ++ VdW CG1 VAL 88 - HB3 PRO 112 2.60 11 0.22 0.55 ++ + * +++ +++ + VdW O VAL 88 - N PHE 92 2.75 11 0.19 0.43 + + + +++++ + * + VdW O VAL 88 - H PHE 92 1.80 11 0.19 0.44 + + + +++++ + * + VdW CB LEU 89 - C SER 111 3.10 8 0.18 0.48 +++ + +* ++ VdW HB2 LEU 89 - CA SER 111 2.60 7 0.18 0.62 + + + + *+ + VdW HB2 LEU 89 - C SER 111 2.50 20 0.55 0.90 ++++++++++++++++*+++ VdW CG LEU 89 - N GLU 90 3.05 6 0.12 0.36 + + ++ * + VdW HG LEU 89 - N GLU 90 2.45 8 0.19 0.65 + ++ +++* + VdW HG LEU 89 - N SER 111 2.45 7 0.18 0.59 +++ + + * + VdW CD1 LEU 89 - N GLU 90 3.05 8 0.16 0.50 + *+++ ++ + VdW CD1 LEU 89 - HG2 PRO 109 2.60 6 0.13 0.64 + + +++* VdW CD2 LEU 89 - C LEU 89 3.10 10 0.27 0.71 +++++ +*++ + VdW CD2 LEU 89 - CB ALA 115 3.20 7 0.12 0.41 + + ++ *++ VdW HD22 LEU 89 - C LEU 89 2.50 6 0.10 0.34 + +* ++ + VdW CD GLN 91 - C GLN 91 3.00 11 0.23 0.51 + * + +++ +++ ++ VdW CD GLN 91 - O GLN 91 2.80 11 0.21 0.39 + + * +++ ++++ + VdW NE2 GLN 91 - O GLN 91 2.75 15 0.30 0.53 +++ +++++ +++ + + +* VdW O GLN 91 - C PHE 92 2.80 7 0.19 0.27 ++ + * + + + VdW O GLN 91 - N GLY 94 2.75 6 0.19 0.33 *+ + + + + VdW CD1 PHE 92 - C PHE 92 3.10 11 0.24 0.76 +++ *++++ ++ + VdW HD1 PHE 92 - C PHE 92 2.50 7 0.21 1.04 + *+ + ++ + VdW HD1 PHE 92 - N LEU 93 2.45 7 0.16 0.56 +++ ++ * + VdW CZ PHE 92 - CA ALA 116 3.20 14 0.35 0.64 +++ +++ +++ +++ +* VdW CZ PHE 92 - HA ALA 116 2.60 15 0.46 1.03 +++ ++* +++++++ ++ VdW CZ PHE 92 - CB ALA 116 3.20 15 0.33 0.64 +++ ++ + +++++++ *+ VdW HZ PHE 92 - CA ALA 116 2.60 7 0.13 0.52 + +* ++ + + VdW HZ PHE 92 - HA ALA 116 2.00 10 0.21 0.63 ++ ++ *+ + + ++ VdW HZ PHE 92 - CB ALA 116 2.60 6 0.11 0.60 + * + + ++ VdW CE2 PHE 92 - CB ALA 116 3.20 8 0.19 0.62 +++ ++ +* + VdW CE2 PHE 92 - HB2 ALA 116 2.60 6 0.10 0.43 *++ + + + VdW O PHE 92 - N ALA 95 2.75 14 0.25 0.51 +++ *++ + ++ +++ ++ VdW O PHE 92 - H ALA 95 1.80 9 0.19 0.53 *+ + ++ ++ ++ VdW O LEU 93 - CG GLN 101 2.90 7 0.16 0.32 + + + * + + + VdW O LEU 93 - HG3 GLN 101 2.30 13 0.26 0.62 + + + +++ + ++ *+ ++ VdW O LEU 93 - NE2 GLN 101 2.75 9 0.18 0.83 ++++ + ++ * + VdW HA2 GLY 94 - CD GLN 101 2.50 10 0.20 0.43 * ++++ + ++ ++ VdW HA2 GLY 94 - NE2 GLN 101 2.45 13 0.24 0.45 ++ +++ +++++ * ++ VdW O GLY 94 - NE2 GLN 101 2.75 8 0.15 0.51 ++ *+ + +++ VdW N LEU 96 - HG LEU 96 2.45 6 0.10 0.27 ++ * + + + VdW H LEU 96 - CD2 LEU 96 2.55 6 0.13 0.59 + + * ++ + VdW HG LEU 96 - CG1 VAL 119 2.60 8 0.17 0.68 + + + + +*+ + VdW CD1 LEU 96 - CG1 VAL 119 3.20 6 0.12 0.39 +++++ * VdW O LEU 96 - NE2 GLN 101 2.75 19 0.53 0.74 ++++++++++++++ *++++ VdW O LEU 96 - HE21 GLN 101 1.80 15 0.23 0.40 *+++++ ++ +++ ++++ VdW CD PRO 97 - HG13 ILE 100 2.60 11 0.18 0.30 + ++ +++ + *++ + VdW CB PRO 97 - CD PRO 98 3.20 15 0.26 0.40 +++ ++ +++++ *+++ + VdW CB PRO 97 - HD2 PRO 98 2.60 19 0.35 0.50 +++++++++++++ *+++++ VdW HB2 PRO 97 - CD PRO 98 2.60 15 0.29 0.51 +++ ++ +++++ *+++ + VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.50 0.75 ++++++++++++++*+++++ VdW HG2 PRO 97 - HG2 GLU 99 2.00 8 0.12 0.38 +* + ++ + ++ VdW HG2 PRO 97 - HG3 GLU 99 2.00 9 0.16 0.41 *+ + + + + + ++ VdW HD2 PRO 97 - CG1 ILE 100 2.60 13 0.23 0.49 + ++ +++ +++++* + VdW HD2 PRO 97 - HG13 ILE 100 2.00 17 0.36 0.60 ++ ++++++++++*+++ + VdW O PRO 97 - CB GLN 101 2.90 7 0.18 0.29 ++ + + + + * VdW N GLU 99 - CG GLU 99 2.85 12 0.17 0.20 ++ +++ + + + * ++ + VdW N GLU 99 - HG2 GLU 99 2.45 6 0.14 0.41 + + * + + + VdW H GLU 99 - CG GLU 99 2.55 12 0.20 0.36 + +++ +++ + +++* VdW H GLU 99 - HG2 GLU 99 1.95 7 0.15 0.27 *+ + ++ + + VdW N ILE 100 - CG1 ILE 100 2.85 18 0.23 0.24 +*+ +++++++++++++ ++ VdW H ILE 100 - CG1 ILE 100 2.55 20 0.31 0.34 ++++++++++++++*+++++ VdW HB ILE 100 - HB VAL 119 2.00 6 0.11 0.43 * ++ + + + VdW CB PRO 109 - HB2 GLU 114 2.60 8 0.17 0.60 +++* ++ ++ VdW HG2 PRO 109 - H GLY 110 1.95 9 0.14 0.28 ++* ++ + + ++ VdW HB3 SER 111 - HD2 PRO 112 2.00 7 0.13 0.48 + + + + + * + VdW O GLU 114 - CG LEU 118 2.90 13 0.22 0.45 + ++ ++++++++ *+ VdW O GLU 114 - HG LEU 118 2.30 14 0.38 0.67 + +++++++++++ *+ VdW CB ALA 116 - CB ALA 363 3.20 6 0.17 0.67 ++ + + *+ VdW N VAL 119 - CG1 VAL 119 2.85 7 0.12 0.24 + + + + * ++ VdW H VAL 119 - CG1 VAL 119 2.55 9 0.19 0.44 + + + +* + ++ + VdW CG2 VAL 119 - C VAL 119 2.90 11 0.19 0.33 + + ++++ +* ++ + VdW CG2 VAL 119 - N ASP 120 3.05 11 0.25 0.64 + +*++ + ++++ + VdW O LEU 122 - C ARG 123 2.80 10 0.21 0.48 +++ * + + ++ + + VdW HA2 GLY 339 - CD PRO 340 2.60 20 0.23 0.27 +*++++++++++++++++++ VdW HB2 PRO 340 - HD1 TRP 372 2.00 16 0.22 0.27 ++++*++ + +++++ +++ VdW O ALA 343 - N PHE 347 2.75 12 0.27 0.47 ++*++ ++ +++ ++ VdW O ALA 343 - H PHE 347 1.80 9 0.19 0.47 ++*++ + + + + VdW O ALA 343 - HB3 PHE 347 2.30 10 0.23 0.48 *++++ ++ + + + VdW CB PHE 347 - HB3 LEU 368 2.60 10 0.19 0.49 + +++ ++ ++* + VdW HB2 PHE 347 - CB LEU 368 2.60 16 0.31 0.51 ++++++ ++ +*++++ ++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 12 0.35 0.76 +++++ + ++*+++ VdW CG PHE 347 - C PHE 347 2.90 13 0.20 0.25 ++++++ ++ +++ +* VdW CD1 PHE 347 - C PHE 347 3.10 9 0.15 0.43 * ++ + + ++ ++ VdW CE1 PHE 347 - HZ3 TRP 372 2.60 8 0.16 0.43 + + ++ +*++ VdW HZ PHE 347 - C LEU 387 2.50 15 0.40 0.66 ++++++ ++ +++ + ++* VdW HZ PHE 347 - O LEU 387 2.30 15 0.30 0.53 ++ ++ +*+++ ++++++ VdW CE2 PHE 347 - HB3 LEU 365 2.60 10 0.23 0.67 * ++ +++ +++ + VdW HE2 PHE 347 - HB3 LEU 365 2.00 6 0.14 0.47 +* ++ ++ VdW HD2 PHE 347 - HB2 LEU 368 2.00 7 0.13 0.55 * ++ + + + + VdW O PHE 347 - CG GLN 391 2.90 6 0.14 0.57 + + + * ++ VdW O PHE 347 - HG2 GLN 391 2.30 12 0.22 0.53 +++++ + +++ + +* VdW HA ARG 348 - HG2 GLN 391 2.00 6 0.12 0.41 ++ + * + + VdW HB3 PHE 350 - NE2 GLN 391 2.45 8 0.16 0.55 +++ + + *++ VdW CE1 PHE 350 - HA ALA 361 2.60 6 0.21 1.02 + + * + ++ VdW CE1 PHE 350 - HG3 GLN 364 2.60 8 0.14 0.43 *+++ + ++ + VdW CZ PHE 350 - HG3 GLU 360 2.60 6 0.12 0.56 ++ * ++ + VdW CZ PHE 350 - HA ALA 361 2.60 7 0.22 1.10 + + + * + + + VdW HZ PHE 350 - CG GLU 360 2.60 9 0.18 0.63 +++ + + +*+ + VdW HZ PHE 350 - HG3 GLU 360 2.00 8 0.15 0.55 +++ ++ + * + VdW CE2 PHE 350 - CA ALA 361 3.20 7 0.16 0.60 + + + * + ++ VdW CE2 PHE 350 - HA ALA 361 2.60 9 0.25 0.91 + + + + + * +++ VdW CE2 PHE 350 - CB ALA 361 3.20 6 0.12 0.53 * + + + + + VdW CG HIS 351 - C HIS 351 2.90 16 0.21 0.25 +*++++ +++++++ +++ VdW N TYR 352 - O ALA 395 2.75 14 0.29 0.71 +++*++ + +++ + +++ VdW H TYR 352 - CA ALA 395 2.55 6 0.09 0.32 + + + + * + VdW H TYR 352 - C ALA 395 2.45 6 0.15 0.56 + *++ + + VdW CA TYR 352 - O ALA 395 2.90 9 0.17 0.40 + ++ * +++ + + VdW CB TYR 352 - O GLY 357 2.90 12 0.27 0.64 +++ ++ + +*+ + ++ VdW CB TYR 352 - O ALA 395 2.90 10 0.18 0.39 *+ ++ + ++ + ++ VdW HB2 TYR 352 - O GLY 357 2.30 8 0.22 0.76 + + + +*+ + + VdW HB3 TYR 352 - CA ALA 395 2.60 7 0.15 0.61 ++ + * + + + VdW HB3 TYR 352 - CB ALA 395 2.60 13 0.28 0.70 ++++++ * +++ + + + VdW CG TYR 352 - C TYR 352 2.90 13 0.17 0.24 +++ + ++ +++ * +++ VdW CG TYR 352 - O TYR 352 2.90 10 0.16 0.42 + + ++ +++ * ++ VdW CG TYR 352 - C GLY 357 3.10 12 0.32 0.70 +++ ++ + +*+ + ++ VdW CG TYR 352 - O GLY 357 2.90 12 0.33 0.87 +++ +* + +++ + ++ VdW CG TYR 352 - O ALA 395 2.90 11 0.19 0.57 +++ +* +++ + ++ VdW CD1 TYR 352 - C TYR 352 3.10 9 0.19 0.50 + + + *++ +++ VdW CD1 TYR 352 - O GLU 353 2.90 7 0.17 0.68 + * +++ ++ VdW CD1 TYR 352 - N GLY 357 3.05 7 0.24 0.77 + + +++ *+ VdW CD1 TYR 352 - CA GLY 357 3.20 7 0.17 0.69 + + +++ +* VdW CD1 TYR 352 - C GLY 357 3.10 9 0.24 0.67 +++ * ++ + ++ VdW CE1 TYR 352 - O GLU 353 2.90 8 0.16 0.52 + * + ++ +++ VdW CE1 TYR 352 - N GLY 357 3.05 6 0.16 0.71 + * ++ ++ VdW CE1 TYR 352 - H GLY 357 2.55 6 0.11 0.44 + +++ *+ VdW CE1 TYR 352 - CA GLY 357 3.20 6 0.19 0.76 * + ++ ++ VdW CE1 TYR 352 - HA2 GLY 357 2.60 6 0.15 0.68 + + *+ ++ VdW CZ TYR 352 - HA2 GLY 357 2.60 6 0.12 0.49 ++ + +* + VdW CE2 TYR 352 - O GLU 353 2.90 6 0.14 0.92 ++ *+ + + VdW CE2 TYR 352 - CD PRO 358 3.20 6 0.10 0.36 + +++ +* VdW CE2 TYR 352 - HA LEU 396 2.60 7 0.15 0.56 + * +++ ++ VdW CD2 TYR 352 - C GLY 357 3.10 8 0.19 0.68 ++ *+ +++ + VdW CD2 TYR 352 - N PRO 358 3.05 7 0.15 0.49 + + *++ ++ VdW CD2 TYR 352 - CA PRO 358 3.20 7 0.14 0.57 * + +++ ++ VdW CD2 TYR 352 - C ALA 395 3.10 7 0.17 0.65 + * +++ ++ VdW CD2 TYR 352 - O ALA 395 2.90 7 0.17 0.72 + + +++ *+ VdW HD2 TYR 352 - C ALA 395 2.50 7 0.19 0.68 + + +++ *+ VdW O TYR 352 - O ALA 395 2.60 9 0.21 0.64 ++ + + + + * + + VdW H GLU 353 - CG GLU 353 2.55 11 0.19 0.36 +++ + ++* + +++ VdW C GLU 353 - N ALA 355 2.95 8 0.19 0.65 +++ + * + + + VdW C GLU 353 - H ALA 355 2.45 8 0.19 0.85 +++ + * + + + VdW O GLU 353 - N ALA 355 2.75 9 0.24 1.31 +++ + * +++ + VdW O GLU 353 - N THR 356 2.75 15 0.28 0.51 +++ +++ *+++++ ++ + VdW O GLU 353 - H THR 356 1.80 7 0.14 0.36 *++ ++ + + VdW CG2 THR 356 - C THR 356 2.90 12 0.19 0.32 +++* ++ +++ ++ + VdW CG2 THR 356 - CG GLU 360 3.20 6 0.12 0.30 ++ + + *+ VdW HA PRO 358 - CB ALA 395 2.60 8 0.23 0.71 + + + *++ + + VdW HA PRO 358 - HB3 ALA 395 2.00 6 0.11 0.52 + + ++ * + VdW CB PRO 358 - CZ PHE 392 3.20 7 0.18 0.88 * + + +++ + VdW HB2 PRO 358 - CZ PHE 392 2.60 10 0.40 1.33 *++ + + +++ + + VdW HB2 PRO 358 - CE2 PHE 392 2.60 9 0.23 0.94 ++ * + +++ + + VdW HB3 PRO 358 - CG LEU 396 2.60 7 0.19 0.69 +++ * + + + VdW HB3 PRO 358 - HG LEU 396 2.00 6 0.14 0.64 + * + + + + VdW HB3 PRO 358 - CD2 LEU 396 2.60 8 0.17 0.75 + + * + ++ + + VdW HG3 PRO 358 - CG2 VAL 419 2.60 8 0.17 0.96 ++ +++ ++ * VdW N GLN 359 - OE1 GLN 359 2.75 6 0.19 0.82 * + + + ++ VdW HA GLN 359 - HE1 PHE 392 2.00 6 0.15 0.80 ++ + + * + VdW NE2 GLN 359 - O ALA 416 2.75 6 0.11 0.58 + * + ++ + VdW C GLN 359 - N ALA 361 2.95 7 0.13 0.49 + + * ++ + + VdW C GLN 359 - H ALA 361 2.45 6 0.12 0.50 + * ++ + + VdW O GLN 359 - N ALA 361 2.75 6 0.20 1.00 + + * ++ + VdW HG3 GLU 360 - C GLU 360 2.50 11 0.18 0.48 +++ +* ++ + + ++ VdW O GLU 360 - NE2 GLN 364 2.75 12 0.23 0.66 ++*++ + + ++ + + + VdW CB ALA 361 - CB ALA 395 3.20 11 0.27 0.65 *+++ + + + + +++ VdW CB ALA 361 - HB2 ALA 395 2.60 6 0.16 0.83 ++ + * ++ VdW HB3 ALA 361 - CB ALA 395 2.60 9 0.15 0.48 +*++ + ++ ++ VdW O ALA 361 - CG LEU 365 2.90 9 0.21 0.74 +++ + * + ++ + VdW O ALA 361 - HG LEU 365 2.30 7 0.24 0.75 ++ + + + + * VdW O ALA 361 - CD1 LEU 365 2.90 6 0.15 0.74 + +* + ++ VdW O ALA 361 - CD2 LEU 365 2.90 8 0.23 0.84 +++* + + ++ VdW CB LEU 362 - CD1 PHE 392 3.20 9 0.21 0.80 ++ + + + ++ * + VdW CB LEU 362 - HD1 PHE 392 2.60 8 0.32 1.16 ++ + + + ++ * VdW CB LEU 362 - HB2 PRO 412 2.60 6 0.10 0.36 + +* + ++ VdW HB3 LEU 362 - CD1 PHE 392 2.60 8 0.27 0.96 ++ + + + + * + VdW HB3 LEU 362 - HD1 PHE 392 2.00 6 0.27 1.20 ++ * + + + VdW CG LEU 362 - CB PRO 412 3.20 6 0.11 0.48 + ++ + + * VdW CG LEU 362 - HB2 PRO 412 2.60 11 0.30 0.64 + + *+++ ++++ + VdW HG LEU 362 - HB2 PRO 412 2.00 8 0.17 0.56 +* + ++++ + VdW CD1 LEU 362 - HB2 PRO 412 2.60 10 0.22 0.82 ++ + + + +* + + + VdW CD2 LEU 362 - CB PRO 412 3.20 7 0.12 0.51 + ++ * + + + VdW CD2 LEU 362 - HB2 PRO 412 2.60 9 0.23 0.74 + *+ + + ++ + + VdW N GLN 364 - HG2 GLN 364 2.45 9 0.16 0.44 +*+ + + + + + + VdW H GLN 364 - CG GLN 364 2.55 10 0.21 0.40 +++ ++ + +++ * VdW H GLN 364 - HG2 GLN 364 1.95 11 0.24 0.69 +++ * + + ++ + + + VdW CD1 LEU 365 - HG3 GLN 391 2.60 7 0.13 0.36 +*++ + ++ VdW CD2 LEU 365 - HG3 GLN 391 2.60 6 0.15 0.52 ++ + * + + VdW O LEU 365 - SG CYS 369 3.10 15 0.32 0.60 ++++ + +++*+ +++ ++ VdW HA ARG 366 - SG CYS 369 2.80 6 0.19 0.48 ++ + + * + VdW HA ARG 366 - CG2 VAL 388 2.60 8 0.15 0.52 +++ + ++ *+ VdW CG GLU 367 - C GLU 367 2.90 18 0.22 0.24 +++++ ++*++++++++++ VdW HG3 GLU 367 - C GLU 367 2.50 6 0.11 0.47 + + + +*+ VdW O GLU 367 - HG3 GLN 371 2.30 12 0.23 0.50 + +++++ *++ + ++ VdW CA LEU 368 - CD1 LEU 368 3.00 11 0.14 0.27 +++ ++ ++++* + VdW HA LEU 368 - CD1 LEU 368 2.60 11 0.21 0.46 +++ ++ ++++* + VdW HA CYS 369 - CE3 TRP 372 2.60 16 0.30 0.56 ++*+++ +++++ +++++ VdW HA CYS 369 - HE3 TRP 372 2.00 18 0.43 0.58 +*+++ +++++++++++++ VdW HB2 CYS 369 - CD2 LEU 373 2.60 6 0.12 0.51 + ++ + *+ VdW SG CYS 369 - H ARG 370 2.75 6 0.14 0.40 ++ +* ++ VdW SG CYS 369 - CG2 VAL 388 3.40 13 0.30 0.67 +++ +++ +++++*+ VdW SG CYS 369 - HG23 VAL 388 2.80 6 0.11 0.34 * ++ + ++ VdW O CYS 369 - N TRP 372 2.75 12 0.22 0.43 ++ ++ +++ *++++ VdW O CYS 369 - N LEU 373 2.75 17 0.31 0.54 ++++++ ++ +++ ++++*+ VdW O CYS 369 - H LEU 373 1.80 17 0.27 0.54 ++++++ ++ +++ ++++*+ VdW O CYS 369 - HG LEU 373 2.30 6 0.09 0.37 + +* + ++ VdW O ARG 370 - CA ARG 374 2.90 10 0.19 0.35 + *+ ++ +++ ++ VdW O ARG 370 - HA ARG 374 2.30 16 0.29 0.47 +++ +*+++++++++++ VdW CG TRP 372 - C TRP 372 2.90 20 0.25 0.26 ++*+++++++++++++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.40 0.54 +++++++++++++++++++* VdW CZ3 TRP 372 - HG LEU 387 2.60 11 0.23 0.52 + ++* ++ + +++ + VdW CH2 TRP 372 - CB LEU 387 3.20 8 0.17 0.39 +*+ ++ + ++ VdW CH2 TRP 372 - CG LEU 387 3.20 8 0.20 0.43 ++++++ + * VdW CH2 TRP 372 - HG LEU 387 2.60 11 0.27 0.54 +++++* + +++ + VdW HH2 TRP 372 - CB LEU 387 2.60 10 0.21 0.51 +* + + ++++ ++ VdW HH2 TRP 372 - HB3 LEU 387 2.00 11 0.24 0.51 ++++ + +++ + +* VdW CD1 LEU 373 - HB3 MET 383 2.60 10 0.20 0.52 ++ + ++ +*+ ++ VdW CD1 LEU 373 - CD1 LEU 387 3.20 9 0.18 0.38 + ++ + *+++ + VdW O LEU 373 - C ARG 374 2.80 8 0.15 0.43 + ++ +++ *+ VdW O LEU 373 - O ARG 374 2.60 12 0.33 0.60 + + ++ +* +++ +++ VdW HA ARG 374 - CD PRO 375 2.60 20 0.28 0.30 ++++++++++*+++++++++ VdW C ARG 374 - H GLU 376 2.45 18 0.26 0.33 +++++++++++*++ ++++ VdW CA PRO 375 - CE MET 383 3.20 7 0.13 0.34 * ++ +++ + VdW HA PRO 375 - CE MET 383 2.60 19 0.45 0.70 ++++++*++++++++++++ VdW HB3 PRO 375 - HA LYS 380 2.00 10 0.20 0.47 + ++ + +* ++ + + VdW H VAL 377 - CG2 VAL 377 2.55 15 0.20 0.34 +++++ *++ ++++++ + VdW CB ARG 378 - N SER 379 2.85 17 0.20 0.21 +++++++++* +++ ++++ VdW CB ARG 378 - H SER 379 2.55 20 0.39 0.40 +++++++++*++++++++++ VdW O LYS 380 - CB LEU 384 2.90 11 0.19 0.33 ++++*+ +++ + + VdW O LYS 380 - HB2 LEU 384 2.30 15 0.37 0.62 +*+++++ + ++++ ++ + VdW O LYS 380 - HG LEU 384 2.30 6 0.14 0.46 + + + + * + VdW H GLU 381 - CG GLU 381 2.55 8 0.17 0.21 + + ++ *+++ VdW O GLU 381 - HB2 GLU 385 2.30 17 0.32 0.47 ++ + +++++ +++++*+++ VdW CB MET 383 - CE MET 383 3.00 7 0.16 0.25 + ++ + * + + VdW O MET 383 - CB LEU 386 2.90 8 0.17 0.26 +++ *+ + + + VdW O MET 383 - HB3 LEU 386 2.30 15 0.31 0.55 ++++ +*+ ++ ++++ ++ VdW O MET 383 - HD23 LEU 387 2.30 9 0.18 0.61 + +++ * ++++ VdW O LEU 384 - CD2 LEU 387 2.90 16 0.32 0.57 +++* +++ ++++++++ + VdW O LEU 384 - HD23 LEU 387 2.30 11 0.28 0.75 +++ + * +++++ + VdW O LEU 384 - N VAL 388 2.75 11 0.20 0.33 +*+ + + ++++++ VdW O LEU 384 - H VAL 388 1.80 8 0.15 0.35 +*+ + + + ++ VdW O LEU 384 - CG2 VAL 388 2.90 6 0.12 0.40 + +* + ++ VdW HG2 GLU 385 - CB SER 411 2.60 10 0.23 0.49 ++ + +*+ ++++ VdW O GLU 385 - HB3 LEU 389 2.30 10 0.25 0.61 + ++* ++++ + + VdW HG LEU 386 - CD1 LEU 387 2.60 11 0.31 0.66 ++ ++ ++*+++ + VdW HG LEU 386 - HD13 LEU 387 2.00 7 0.15 0.55 + + ++++* VdW CD1 LEU 386 - C LEU 386 3.10 8 0.18 0.46 + ++*+++ + VdW CD2 LEU 386 - C LEU 386 3.10 7 0.16 0.51 ++ ++* + + VdW N LEU 387 - CD1 LEU 387 3.05 7 0.14 0.37 ++ ++ ++ * VdW N LEU 387 - CD2 LEU 387 3.05 15 0.26 0.51 + +*++++ + +++++ ++ VdW H LEU 387 - CG LEU 387 2.55 7 0.13 0.23 + + + + * + + VdW H LEU 387 - CD2 LEU 387 2.55 17 0.41 0.81 + +*+++++ + ++++++++ VdW H LEU 387 - HD23 LEU 387 1.95 11 0.28 0.69 + ++++++ *+++ VdW CD2 LEU 387 - N VAL 388 3.05 7 0.15 0.51 ++ + *+ + + VdW CD2 LEU 387 - H VAL 388 2.55 9 0.16 0.49 +++ + ++ + +* VdW HD22 LEU 387 - N VAL 388 2.45 7 0.14 0.48 + + + +++* VdW CG1 VAL 388 - HB3 PRO 412 2.60 6 0.13 0.53 + + + + *+ VdW O VAL 388 - N PHE 392 2.75 6 0.12 0.40 ++* + + + VdW HB2 LEU 389 - C SER 411 2.50 14 0.36 0.72 ++++++ * +++ + +++ VdW CG LEU 389 - N GLU 390 3.05 7 0.13 0.31 ++* + + ++ VdW HG LEU 389 - C LEU 389 2.50 8 0.14 0.38 +* + + + + ++ VdW HG LEU 389 - N GLU 390 2.45 10 0.25 0.60 ++* + +++ + ++ VdW CD1 LEU 389 - HG2 PRO 409 2.60 10 0.15 0.41 +++ * +++ + ++ VdW CD GLN 391 - C GLN 391 3.00 6 0.17 0.44 ++ + * + + VdW CD GLN 391 - O GLN 391 2.80 9 0.16 0.33 *++++ + +++ VdW NE2 GLN 391 - O GLN 391 2.75 15 0.30 0.78 +++ ++* + ++++++ ++ VdW CE1 PHE 392 - CB ALA 416 3.20 10 0.25 0.70 ++ *+ + +++ + + VdW CZ PHE 392 - CA ALA 416 3.20 12 0.25 0.60 *++ ++ + +++ + ++ VdW CZ PHE 392 - HA ALA 416 2.60 12 0.34 0.81 + + ++ + ++* + +++ VdW CZ PHE 392 - CB ALA 416 3.20 11 0.27 0.70 +++ +* + +++ + + VdW HZ PHE 392 - HA ALA 416 2.00 6 0.14 0.54 + + + * + + VdW CD2 PHE 392 - C PHE 392 3.10 12 0.29 0.77 ++ ++ + +++ ++ + * VdW HD2 PHE 392 - C PHE 392 2.50 7 0.27 0.99 + ++ + ++ * VdW HD2 PHE 392 - N LEU 393 2.45 9 0.21 0.67 ++ ++ * ++++ VdW C PHE 392 - N GLY 394 2.95 6 0.18 0.63 + + + + +* VdW O PHE 392 - C LEU 393 2.80 9 0.19 0.45 + ++ + ++ +* + VdW O PHE 392 - N GLY 394 2.75 7 0.26 1.19 + + + + +* + VdW O PHE 392 - N ALA 395 2.75 13 0.30 0.79 ++ + ++ + ++*++ ++ VdW O PHE 392 - H ALA 395 1.80 9 0.25 0.76 + + ++ + +* + + VdW H LEU 393 - CG LEU 393 2.55 6 0.10 0.33 + + + ++ * VdW O LEU 393 - HG3 GLN 401 2.30 11 0.16 0.34 ++++* +++ +++ VdW O LEU 393 - NE2 GLN 401 2.75 10 0.30 0.80 + + +*+ + ++++ VdW HA2 GLY 394 - CD GLN 401 2.50 7 0.13 0.36 + ++ *+ + + VdW HA2 GLY 394 - NE2 GLN 401 2.45 12 0.20 0.40 +++ ++ + +++ + +* VdW HA LEU 396 - CD PRO 397 2.60 6 0.16 0.29 + ++ + +* VdW CD1 LEU 396 - CG1 VAL 419 3.20 7 0.12 0.43 + + + *+ + + VdW O LEU 396 - NE2 GLN 401 2.75 17 0.46 0.62 +*+++++++ +++ + ++++ VdW O LEU 396 - HE21 GLN 401 1.80 16 0.24 0.37 +*+++++ + +++ + ++++ VdW CB PRO 397 - CD PRO 398 3.20 14 0.21 0.37 +*++++ + +++ + +++ VdW CB PRO 397 - HD2 PRO 398 2.60 14 0.30 0.47 +*++++ + +++ + +++ VdW HB2 PRO 397 - CD PRO 398 2.60 13 0.22 0.47 +*++++ + ++ + +++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 15 0.41 0.71 +*++++ + +++++ +++ VdW CG PRO 397 - CG1 ILE 400 3.20 6 0.10 0.48 ++ * + ++ VdW HG2 PRO 397 - HG3 GLU 399 2.00 8 0.16 0.43 ++ ++ + + +* VdW HG2 PRO 397 - CG1 ILE 400 2.60 6 0.21 0.77 ++ * + ++ VdW HD2 PRO 397 - CG1 ILE 400 2.60 6 0.14 0.56 + *+ + ++ VdW HD2 PRO 397 - HG13 ILE 400 2.00 16 0.28 0.51 ++++*+ +++++++ +++ VdW O PRO 397 - N GLN 401 2.75 6 0.12 0.54 ++ + + *+ VdW O PRO 397 - CB GLN 401 2.90 10 0.25 0.59 + ++++ ++ *+ + VdW N GLU 399 - CG GLU 399 2.85 9 0.12 0.20 ++ ++ + + + *+ VdW H GLU 399 - CG GLU 399 2.55 10 0.16 0.30 ++ + + * + + + ++ VdW N ILE 400 - CG1 ILE 400 2.85 17 0.23 0.24 +++ +*+++ +++ ++++++ VdW H ILE 400 - CG1 ILE 400 2.55 14 0.26 0.36 +++++* + +++ + +++ VdW CB ILE 400 - HB VAL 419 2.60 6 0.11 0.66 + + + + +* VdW O GLN 401 - CG1 VAL 404 2.90 6 0.12 0.39 + ++ * + + VdW HG2 PRO 409 - H GLY 410 1.95 7 0.11 0.28 + + + * +++ VdW HB3 SER 411 - HD2 PRO 412 2.00 6 0.12 0.34 + +* +++ VdW CG GLU 414 - C GLU 414 2.90 6 0.10 0.24 + * ++ + + VdW HG3 GLU 414 - C GLU 414 2.50 7 0.13 0.30 + + + *+ + + VdW O GLU 414 - HG LEU 418 2.30 7 0.18 0.58 +++ + ++ * VdW O GLU 414 - CD2 LEU 418 2.90 10 0.18 0.39 *++ ++ + + + + + VdW O ALA 415 - HG LEU 418 2.30 6 0.14 0.45 + * + + + + VdW H LEU 418 - CG LEU 418 2.55 6 0.12 0.33 + + ++ * + VdW N VAL 419 - CG1 VAL 419 2.85 9 0.14 0.24 + + * +++ + + + VdW H VAL 419 - CG1 VAL 419 2.55 12 0.23 0.44 + *+ + +++ + +++ + VdW CG2 VAL 419 - C VAL 419 2.90 12 0.20 0.33 + ++ * +++ + +++ + VdW CG2 VAL 419 - N ASP 420 3.05 10 0.19 0.45 +++ + ++*+ + + VdW O LEU 422 - C ARG 423 2.80 10 0.22 0.48 ++ ++ + + ++*+ Angle PHI ARG 44 -71.00 -51.00 6 3.56 14.18 * + + ++ + Angle PHI LEU 45 -72.00 -52.00 7 3.76 12.98 + * + + ++ + Angle PHI PHE 47 -74.00 -54.00 12 5.11 9.66 + ++*+ ++ +++ ++ Angle PSI ARG 48 -34.00 -4.00 12 6.95 17.52 ++ + + ++* ++ +++ Angle PSI CYS 49 -51.00 -5.00 16 8.47 16.44 ++++++ +* ++++++ ++ Angle PSI PHE 50 120.00 140.00 9 5.76 15.22 +++++ + +*+ Angle PHI HIS 51 -128.00 -90.00 17 11.60 19.66 +++ ++++++ +++++* ++ Angle PHI TYR 52 -106.00 -68.00 15 10.83 42.35 ++++ ++ +++++ ++*+ Angle PSI TYR 52 120.00 140.00 7 4.39 21.78 +* + + + ++ Angle PHI GLU 54 -70.00 -50.00 14 10.63 45.97 + + ++ + +++ +++*++ Angle PHI ALA 55 -80.00 -58.00 16 20.53 45.21 +*+ +++++ ++++++ ++ Angle PSI ALA 55 -50.00 -30.00 11 11.27 38.01 +*+ + + ++ + +++ Angle PHI THR 56 -112.00 -82.00 6 3.30 16.65 + + + +*+ Angle PSI THR 56 -15.00 15.00 8 7.75 33.85 +++++ *++ Angle PSI PRO 58 -41.00 -31.00 12 6.55 17.31 +++ ++ ++ + +++* Angle PHI GLN 59 -77.00 -57.00 17 13.82 27.16 ++*++ ++++ + +++++++ Angle PSI GLN 59 -46.00 -26.00 13 19.16 56.61 ++++ + ++ + + + *++ Angle PHI GLU 60 -75.00 -55.00 15 17.03 55.33 ++++++ + + +++ +*++ Angle PSI GLU 60 -54.00 -34.00 16 12.74 33.89 + ++ +*++++++++ +++ Angle PHI ALA 61 -72.00 -52.00 10 10.46 31.55 + + *+ +++ ++ + Angle PSI ALA 61 -53.00 -33.00 9 7.36 32.75 + ++ +++++ * Angle PHI LEU 62 -71.00 -51.00 15 12.96 33.86 ++* +++++++ ++ +++ Angle PSI LEU 62 -53.00 -33.00 12 6.96 26.92 +++ + *++ +++++ Angle PHI ALA 63 -76.00 -56.00 8 5.11 23.39 + ++ +*++ + Angle PSI ALA 63 -48.00 -28.00 17 21.20 45.05 +++ + +++++++++ +*++ Angle PHI GLN 64 -78.00 -58.00 11 11.63 28.89 ++++ ++*+ ++ + Angle PSI GLN 64 -51.00 -31.00 10 3.93 9.98 ++* + + + ++ ++ Angle PSI LEU 65 -52.00 -32.00 12 8.28 26.98 + * +++++ +++++ Angle PHI ARG 66 -76.00 -56.00 15 8.77 20.28 ++++ + ++++ +*++ ++ Angle PHI GLU 67 -79.00 -59.00 16 7.55 17.48 *++++ +++++++++++ Angle PHI ARG 70 -73.00 -53.00 6 3.53 10.61 ++ ++ + * Angle PSI VAL 77 -29.00 -5.00 13 6.40 10.91 + *+ +++ ++ ++ +++ Angle PHI SER 79 -113.00 -71.00 10 4.49 10.67 +++ ++ + + ++ * Angle PSI SER 79 155.00 175.00 19 19.17 35.79 +++++ +*++++++++++++ Angle PSI LYS 80 -48.00 -28.00 14 6.55 13.71 +++ * + ++ ++++ ++ + Angle PHI GLU 81 -73.00 -53.00 7 7.86 27.22 + + +++ +* Angle PSI GLU 81 -50.00 -30.00 18 11.74 19.80 +++++++ +++++ ++++*+ Angle PHI GLN 82 -76.00 -56.00 18 12.60 22.57 ++ *++++ +++++++++++ Angle PSI GLN 82 -48.00 -28.00 14 7.37 22.80 + + + + +++ ++++ +*+ Angle PHI MET 83 -75.00 -55.00 6 3.27 9.20 + *++ + + Angle PSI MET 83 -52.00 -32.00 10 5.46 14.13 ++ + *++ +++ + Angle PHI LEU 84 -73.00 -53.00 16 6.79 14.13 +++ +++ *++ +++++ ++ Angle PSI LEU 84 -52.00 -32.00 14 8.13 20.29 ++*++ ++++ + + +++ Angle PSI GLU 85 -54.00 -34.00 17 9.27 15.82 +++++ +++++++ ++ +*+ Angle PSI LEU 86 -51.00 -31.00 7 3.09 7.84 + * +++ ++ Angle PHI LEU 87 -77.00 -57.00 19 13.47 26.03 +++++++ *+++++++++++ Angle PHI VAL 88 -78.00 -58.00 16 9.89 22.10 +++ ++++++++ + +*+ + Angle PSI VAL 88 -55.00 -35.00 13 7.94 20.94 ++ + + * ++++ + +++ Angle PSI LEU 89 -57.00 -37.00 7 4.64 14.13 *+ +++ + + Angle PHI GLU 90 -73.00 -53.00 9 4.12 9.52 * ++ ++ + + + + Angle PHI GLN 91 -74.00 -54.00 16 8.66 15.20 ++ + * ++++++++++++ Angle PHI PHE 92 -74.00 -54.00 20 14.67 21.46 ++++++*+++++++++++++ Angle PHI LEU 93 -72.00 -52.00 16 9.51 22.23 ++++*++ + +++ + ++++ Angle PSI PRO 97 132.20 154.90 20 29.08 36.33 ++++++++++++++*+++++ Angle PSI PRO 98 -46.00 -28.00 20 27.72 36.15 ++++++++++++++*+++++ Angle PHI GLU 99 -76.00 -56.00 19 18.36 31.05 ++++++++++++++*+++ + Angle PSI GLU 99 -47.00 -27.00 8 3.99 8.56 + ++ * ++ + + Angle PHI ILE 100 -73.00 -53.00 20 16.51 25.56 ++++++++++++++++*+++ Angle PSI GLN 101 -51.00 -31.00 14 7.02 15.72 + + +++++ ++ *++++ Angle PHI ALA 102 -72.00 -52.00 6 3.34 8.17 + *+ + ++ Angle PSI ALA 102 -51.00 -31.00 11 5.92 11.68 ++* + + + + + +++ Angle PHI ARG 103 -73.00 -53.00 18 6.92 9.75 + +++++++++ +++*++++ Angle PSI ARG 103 -53.00 -33.00 6 3.79 9.43 + ++ + + * Angle PSI GLN 105 -52.00 -30.00 6 4.05 10.46 +*+ + ++ Angle PHI GLY 106 -79.00 -59.00 8 4.28 14.93 ++ *+ +++ + Angle PSI GLY 106 -40.00 -6.00 19 14.78 27.77 ++ +*+++++++++++++++ Angle PHI GLY 110 58.00 92.00 16 12.62 29.03 +++ + +++*+++ +++ ++ Angle PSI GLY 110 -10.00 46.00 6 4.14 13.98 + *+ + ++ Angle PSI PRO 112 -44.00 -28.00 11 8.06 56.61 ++ +*+++ ++ ++ Angle PHI GLU 114 -74.00 -54.00 9 7.02 22.88 ++ +*++ + + + Angle PHI ALA 115 -76.00 -56.00 10 5.91 17.93 + ++ * ++ ++ ++ Angle PSI ALA 117 -50.00 -30.00 6 7.56 40.27 + * + + + + Angle PHI LEU 118 -79.00 -59.00 9 5.87 17.26 + ++ ++ + +* + Angle PHI LEU 122 -91.00 -55.00 8 4.90 17.43 *+++ + ++ + Angle PSI LEU 122 -55.00 3.00 6 3.38 15.67 + + * + + + Angle PHI ARG 344 -71.00 -51.00 9 4.08 11.84 *+++ + ++ ++ Angle PHI PHE 347 -74.00 -54.00 6 3.21 8.93 + +* + + + Angle PSI ARG 348 -34.00 -4.00 12 6.73 18.24 +++++ * + +++++ Angle PSI CYS 349 -51.00 -5.00 18 12.50 54.51 +++ +++*+++++++++ ++ Angle PSI PHE 350 120.00 140.00 10 11.00 42.15 + + +*++ + +++ Angle PHI HIS 351 -128.00 -90.00 17 18.34 66.62 +++ ++++ *+++++++ ++ Angle PHI TYR 352 -106.00 -68.00 12 9.08 36.28 +++* ++ +++ + + + Angle PSI TYR 352 120.00 140.00 9 8.50 32.38 * ++++ ++++ Angle PHI GLU 354 -70.00 -50.00 15 13.57 54.23 ++* +++++ ++ ++ +++ Angle PHI ALA 355 -80.00 -58.00 13 16.66 47.75 *++ +++ + +++ + ++ Angle PSI ALA 355 -50.00 -30.00 14 12.27 42.18 + + ++ +++ ++*++++ Angle PSI THR 356 -15.00 15.00 10 8.54 35.68 + + + * +++++ + Angle PSI PRO 358 -41.00 -31.00 13 11.04 23.13 ++ ++ * + + ++++++ Angle PHI GLN 359 -77.00 -57.00 18 14.59 29.52 +++++++ ++++++++*++ Angle PSI GLN 359 -46.00 -26.00 12 17.93 51.23 +++* ++ ++++ + + Angle PHI GLU 360 -75.00 -55.00 11 13.62 47.53 + ++++ * ++ ++ + Angle PSI GLU 360 -54.00 -34.00 9 6.61 33.91 ++ ++ +++ * + Angle PHI ALA 361 -72.00 -52.00 8 7.48 32.43 +++ ++ + * + Angle PSI ALA 361 -53.00 -33.00 9 9.43 45.30 +++* + + +++ Angle PHI LEU 362 -71.00 -51.00 15 13.54 33.13 *++++++ + +++ + +++ Angle PSI LEU 362 -53.00 -33.00 7 4.37 18.73 +++ * + + + Angle PHI ALA 363 -76.00 -56.00 9 5.52 16.68 +++ ++ + * ++ Angle PSI ALA 363 -48.00 -28.00 18 17.07 37.34 ++++ *+++++++ ++++++ Angle PHI GLN 364 -78.00 -58.00 10 11.13 52.59 +++* + ++ + + + Angle PSI LEU 365 -52.00 -32.00 8 6.66 20.84 + ++ *+++ + Angle PHI ARG 366 -76.00 -56.00 14 7.35 17.32 ++++ *++++ +++ ++ Angle PHI GLU 367 -79.00 -59.00 10 4.54 17.87 ++++ ++ + + *+ Angle PSI LEU 368 -52.00 -32.00 7 3.01 8.50 + +++++ * Angle PHI ARG 370 -73.00 -53.00 13 6.19 12.48 ++ ++ +++ ++*+++ Angle PSI VAL 377 -29.00 -5.00 16 6.27 10.16 ++++++++ + ++++ *++ Angle PHI SER 379 -113.00 -71.00 14 6.91 12.70 ++++ ++++ + + *++ + Angle PSI SER 379 155.00 175.00 19 17.16 27.78 ++++ +++++++++*+++++ Angle PSI LYS 380 -48.00 -28.00 7 5.18 15.36 ++* + ++ + Angle PHI GLU 381 -73.00 -53.00 9 8.58 26.66 + * ++ ++++ + Angle PSI GLU 381 -50.00 -30.00 20 12.87 17.66 +++++++++++++++++*++ Angle PHI GLN 382 -76.00 -56.00 20 13.96 23.75 +*++++++++++++++++++ Angle PSI GLN 382 -48.00 -28.00 12 5.44 16.62 + +++ ++ * ++ +++ Angle PSI MET 383 -52.00 -32.00 13 7.14 15.68 + ++ ++ +++ ++++* Angle PHI LEU 384 -73.00 -53.00 14 5.48 10.55 + + +++++ + ++ +++ * Angle PSI LEU 384 -52.00 -32.00 17 9.75 21.60 + ++ +++ *++++++++++ Angle PHI GLU 385 -75.00 -55.00 8 5.21 16.23 + ++* ++ + + Angle PSI GLU 385 -54.00 -34.00 17 12.02 23.30 ++++ ++ *++++++++++ Angle PHI LEU 387 -77.00 -57.00 20 16.14 22.88 +++++++++*++++++++++ Angle PSI LEU 387 -51.00 -31.00 7 4.19 17.88 ++ + + +* + Angle PHI VAL 388 -78.00 -58.00 11 6.73 16.15 +*+ +++ ++ ++ + Angle PSI VAL 388 -55.00 -35.00 16 9.32 20.41 ++++ ++++++++++*+ Angle PSI LEU 389 -57.00 -37.00 6 3.33 8.63 + * + + + + Angle PSI GLU 390 -52.00 -32.00 7 8.53 39.46 +++ + + *+ Angle PHI GLN 391 -74.00 -54.00 20 11.01 27.85 +++++++++++++++*++++ Angle PHI PHE 392 -74.00 -54.00 19 16.66 45.00 +++++++ +++++*++++++ Angle PHI LEU 393 -72.00 -52.00 17 13.88 40.41 ++ + ++++++++++*+++ Angle PSI PRO 397 132.20 154.90 20 26.36 34.99 +*++++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 18 20.81 32.89 ++++*++ + ++++++++++ Angle PHI GLU 399 -76.00 -56.00 18 14.04 27.08 ++++*++ + ++++++++++ Angle PSI GLU 399 -47.00 -27.00 9 4.35 11.48 * ++ + ++ + + + Angle PHI ILE 400 -73.00 -53.00 20 22.68 52.96 +++++++++++++++*++++ Angle PSI GLN 401 -51.00 -31.00 10 4.94 10.66 + +* + ++++ ++ Angle PHI ALA 402 -72.00 -52.00 8 4.03 11.82 + + ++ ++*+ Angle PSI ALA 402 -51.00 -31.00 10 4.79 11.04 + +++ +*++ + + Angle PHI ARG 403 -73.00 -53.00 9 4.32 10.07 ++++++ * + + Angle PHI GLY 406 -79.00 -59.00 6 3.55 15.45 ++ + *+ + Angle PSI GLY 406 -40.00 -6.00 14 9.26 18.40 ++++++ ++ *+ + +++ Angle PHI GLY 410 58.00 92.00 16 10.62 25.61 ++++++ ++++++ * +++ Angle PSI GLY 410 -10.00 46.00 7 4.06 16.16 + + ++ + +* Angle PSI PRO 412 -44.00 -28.00 6 3.26 12.67 ++ + + +* Angle PHI GLU 414 -74.00 -54.00 6 3.33 13.12 +* + + ++ Angle PSI ALA 417 -50.00 -30.00 7 3.82 15.16 + ++ + + * + Angle PHI LEU 418 -79.00 -59.00 6 2.65 8.54 + + + * ++ Angle PHI GLY 421 -84.00 -58.00 7 4.03 11.82 + + + * + + + Angle PSI LEU 422 -55.00 3.00 7 3.32 11.03 * + +++++ 573 violated distance constraints. 145 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.73 +/- 0.24 A (0.44..1.37 A; 20 structures) Average heavy atom RMSD to mean : 1.16 +/- 0.24 A (0.82..1.70 A; 20 structures)