Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 295.94 355 0.1223 4.40 308 172.8 0.80 82 7.1628 28.76 2 296.19 347 0.1221 4.34 306 170.0 0.88 88 7.6609 32.23 3 297.29 374 0.1216 4.28 309 170.8 1.00 82 7.4898 36.94 4 297.55 355 0.1221 4.38 309 172.3 0.89 93 7.9537 32.63 5 298.72 350 0.1222 4.32 300 173.3 0.77 81 7.5709 34.42 6 299.54 360 0.1232 4.44 299 171.3 0.78 84 7.5195 32.42 7 299.96 340 0.1218 4.29 303 177.0 0.84 85 7.9176 34.50 8 300.71 357 0.1222 4.33 321 177.1 0.84 78 7.4822 31.91 9 302.31 338 0.1237 4.39 289 171.4 0.79 86 7.5922 34.66 10 302.44 342 0.1227 4.32 322 176.9 0.81 91 7.5274 31.13 11 302.81 364 0.1240 4.42 298 170.6 0.84 81 7.2998 31.31 12 302.90 365 0.1237 4.24 308 174.6 0.79 76 7.5847 30.32 13 303.33 356 0.1229 4.30 337 179.9 0.86 83 7.3487 30.73 14 303.48 359 0.1238 4.44 298 175.4 0.93 92 7.3801 32.28 15 303.48 386 0.1245 4.28 300 171.4 0.83 92 7.8286 31.89 16 304.01 370 0.1226 4.38 292 176.1 0.83 80 7.7732 35.96 17 305.75 363 0.1229 4.28 331 182.3 1.02 80 7.5594 33.28 18 305.96 354 0.1238 4.46 292 172.2 0.92 80 7.8263 38.01 19 306.41 374 0.1237 4.27 315 181.1 0.85 87 7.5998 32.14 20 306.69 359 0.1236 4.42 305 173.1 0.91 86 7.6560 34.89 Ave 301.77 358 0.1230 4.35 307 174.5 0.86 84 7.5867 33.02 +/- 3.30 12 0.0008 0.07 12 3.6 0.07 5 0.1995 2.25 Min 295.94 338 0.1216 4.24 289 170.0 0.77 76 7.1628 28.76 Max 306.69 386 0.1245 4.46 337 182.3 1.02 93 7.9537 38.01 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ALA 43 - HA TRP 72 5.50 20 0.40 0.71 +++++++++++++*++++++ peak 693 Upper HA ALA 43 - QB ARG 46 3.57 6 0.07 0.23 * + ++ ++ peak 1584 Upper QB ALA 43 - HG LEU 68 3.84 10 0.17 0.41 + *+++++ + + + peak 1528 Upper H LEU 45 - HG LEU 45 3.23 11 0.21 0.64 + ++ ++* + + +++ peak 686 Upper HA LEU 45 - H CYS 49 5.12 7 0.07 0.31 +* + ++ + + peak 759 Upper QD2 LEU 45 - H ARG 48 5.46 6 0.07 0.24 + + + + + * peak 1954 Upper H ARG 46 - QD2 LEU 68 5.50 10 0.16 0.52 + * ++++++ + + peak 2532 Upper H PHE 47 - QD2 LEU 68 4.73 6 0.06 0.22 + + *++ + peak 2533 Upper QD PHE 47 - QD1 LEU 65 4.93 7 0.07 0.26 + + + + *++ peak 304 Upper QD PHE 47 - HB2 CYS 69 5.50 9 0.12 0.38 +* + +++ + ++ peak 2547 Upper QD PHE 47 - HB3 CYS 69 5.50 13 0.28 0.58 + ++ *++ ++++ + ++ peak 2542 Upper QE PHE 47 - QG2 VAL 88 4.50 9 0.12 0.36 ++++ ++ + * + peak 3164 Upper H PHE 50 - QD1 LEU 68 5.50 12 0.21 0.43 + + ++ *++++++ + peak 2509 Upper HB2 PHE 50 - H HIS 51 4.34 7 0.09 0.12 ++ +* ++ + peak 781 Upper HB2 PHE 50 - QD1 LEU 68 4.88 9 0.09 0.24 + + + ++++ * + peak 2013 Upper HB3 PHE 50 - QB ALA 95 5.09 20 0.37 0.51 +++++++++++*++++++++ peak 2008 Upper QD PHE 50 - HB2 GLN 64 4.36 6 0.05 0.17 *+ ++ + + peak 275 Upper QD PHE 50 - QD1 LEU 68 4.34 13 0.14 0.33 * ++ + +++++++++ peak 2510 Upper QD PHE 50 - QB ALA 95 3.77 20 0.60 0.77 ++++++*+++++++++++++ peak 278 Upper QD PHE 50 - QB ALA 395 3.01 20 4.31 4.46 +++++++++++++++++*++ peak 8165 Upper QE PHE 50 - HB2 GLN 64 4.34 16 0.22 0.37 ++ + ++++*+++++++ + peak 264 Upper QE PHE 50 - QB ALA 95 4.34 20 0.62 0.85 +++++++++++++++*++++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 2.47 2.69 +++++++++++++++++*++ peak 8164 Upper H TYR 52 - HD2 PRO 97 5.50 20 0.30 0.58 *+++++++++++++++++++ peak 789 Upper QB TYR 52 - H ALA 95 5.13 15 0.17 0.36 ++++++++++*+ ++ + peak 1114 Upper QB TYR 52 - QB ALA 95 3.70 20 0.44 0.55 ++++++*+++++++++++++ peak 1713 Upper QB TYR 52 - QD2 LEU 96 4.16 15 0.34 0.81 ++++ ++ *+++++++ + peak 8179 Upper QB TYR 52 - HD3 PRO 97 5.50 20 0.44 0.55 +++++++++++++++*++++ peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 0.62 0.97 +++++++++++++++++*++ peak 8347 Upper QD TYR 52 - QB ALA 95 3.77 20 0.49 0.57 ++++++++++++*+++++++ peak 246 Upper QD TYR 52 - QD1 LEU 96 4.59 8 0.22 0.61 + + ++ +* + + peak 251 Upper QD TYR 52 - QD2 LEU 96 3.35 7 0.07 0.27 + *+ ++ + + peak 252 Upper QD TYR 52 - QD1 ILE 100 4.53 18 0.16 0.24 +++++++ +++++++*+ ++ peak 3486 Upper QD TYR 52 - QB ALA 395 3.67 20 2.29 2.59 +++++++++++++++++*++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 1.46 1.58 ++++++++*+++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 0.91 0.98 +++++*++++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.72 1.83 *+++++++++++++++++++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 20 0.22 0.30 +++++++++++++*++++++ peak 2087 Upper QE TYR 52 - QG2 THR 56 4.64 20 0.43 0.68 ++++++++++*+++++++++ peak 236 Upper QE TYR 52 - HB2 PRO 58 5.50 15 0.20 0.45 *++++++ + ++++ + + + peak 2168 Upper QE TYR 52 - HB3 PRO 58 4.23 15 0.23 0.54 *++ +++ + ++++++ + + peak 232 Upper QE TYR 52 - QD1 LEU 96 4.85 20 0.30 0.39 ++++++++++++++*+++++ peak 239 Upper QE TYR 52 - QG1 VAL 119 5.50 20 1.04 1.40 +*++++++++++++++++++ peak 3975 Upper QE TYR 52 - QG2 VAL 119 4.54 20 0.71 0.82 *+++++++++++++++++++ peak 8189 Upper QE TYR 52 - QB ALA 395 4.32 20 1.83 1.98 +++++++++++++++++*++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 0.58 0.65 ++++++++++++++*+++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.34 1.44 +++*++++++++++++++++ peak 8114 Upper QB ALA 55 - HB THR 56 4.14 16 0.17 0.38 *+++++ +++ ++++ + ++ peak 8150 Upper HB THR 56 - HG3 GLU 60 5.16 20 0.55 1.22 +++++++++++++++++*++ peak 2105 Upper QG2 THR 56 - HB3 GLU 60 3.51 12 0.21 0.48 *++ ++ ++ ++++ + peak 1767 Upper QG2 THR 56 - HG2 GLU 60 3.88 8 0.13 0.56 + ++ + + ++* peak 2231 Upper H GLY 57 - H GLU 60 5.50 20 0.33 0.43 ++++++++++++*+++++++ peak 398 Upper HA PRO 58 - H LEU 62 5.50 20 0.42 0.52 +++*++++++++++++++++ peak 875 Upper HB2 PRO 58 - QE PHE 92 4.20 20 0.54 0.69 ++++++*+++++++++++++ peak 156 Upper HB2 PRO 58 - HZ PHE 92 4.08 20 1.29 1.49 +++++++++++*++++++++ peak 168 Upper HB2 PRO 58 - QB ALA 116 5.00 20 1.34 1.61 ++++++++++++++++*+++ peak 8262 Upper HB2 PRO 58 - QG1 VAL 119 4.66 10 0.23 0.65 *+ + +++ +++ + peak 2133 Upper HB2 PRO 58 - QG2 VAL 119 5.13 8 0.09 0.32 *+ + + + + ++ peak 2131 Upper HB2 PRO 58 - H GLU 360 4.18 20 0.66 0.81 +++++++++++*++++++++ peak 860 Upper HB3 PRO 58 - QE PHE 92 5.07 20 0.77 0.94 ++++++*+++++++++++++ peak 2175 Upper HB3 PRO 58 - QG1 VAL 119 4.93 20 0.49 1.00 +*++++++++++++++++++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.56 20 0.79 0.91 +*++++++++++++++++++ peak 2140 Upper HG2 PRO 58 - HZ PHE 92 4.44 8 0.19 0.69 *+ +++ ++ + peak 169 HZ PHE 92 - HB VAL 119 Upper HG3 PRO 58 - HZ PHE 92 5.03 18 0.22 0.31 +++ +++++++++++* +++ peak 2165 HG3 PRO 58 - H LEU 96 Upper HD2 PRO 58 - QB ALA 95 4.19 11 0.11 0.31 ++ +++++ ++ * + peak 8166 Upper HD2 PRO 58 - QG2 VAL 119 5.41 20 0.71 0.85 +*++++++++++++++++++ peak 2145 Upper H GLN 59 - H LEU 62 5.50 18 0.21 0.36 ++++++ ++++++++*++ + peak 161 Upper H GLN 59 - HB2 LEU 62 5.50 20 0.81 1.03 +++++++++++++++*++++ peak 2295 Upper H GLN 59 - QB ALA 416 5.25 18 0.17 0.29 ++++++*++++++ +++++ peak 840 Upper HA GLN 59 - HB3 LEU 62 5.02 20 0.42 0.68 +++++++++++++++*++++ peak 1873 Upper HA GLN 59 - HG LEU 62 4.76 7 0.10 0.46 + ++ * + ++ peak 2291 HG LEU 62 - HA PHE 92 HG LEU 62 - HA PRO 112 Upper HA GLN 59 - H ALA 63 5.06 20 0.58 0.76 ++++++++*+++++++++++ peak 2216 Upper QB GLN 59 - HE21 GLN 59 3.91 12 0.34 0.62 + + +++ *++++ + + peak 848 Upper QB GLN 59 - H LEU 362 4.52 20 0.79 1.07 +++++++++++++++*++++ peak 881 Upper QB GLN 59 - QB ALA 416 3.32 14 0.17 0.38 ++++ +++++ + + ++* peak 8137 Upper HG2 GLN 59 - QB ALA 416 4.09 13 0.24 0.97 + ++++ +++ *++ ++ peak 2206 Upper HG3 GLN 59 - QB ALA 116 4.77 8 0.09 0.32 + ++ + + + * + peak 2205 QB ALA 116 - HG3 GLN 359 Upper HE22 GLN 59 - HB2 PRO 358 4.27 8 0.09 0.46 ++ ++ + +* + peak 2169 HB2 PRO 58 - HZ PHE 92 Upper HE22 GLN 59 - HA GLU 360 4.84 13 0.17 0.40 + ++++ + ++ *+++ + peak 868 Upper H GLU 60 - HB2 PRO 358 4.18 20 0.66 0.80 +++++++++++++*++++++ peak 860 Upper HA GLU 60 - HE22 GLN 359 4.84 10 0.14 0.33 * + ++ + + + ++ + peak 868 Upper HB3 GLU 60 - HE22 GLN 64 5.27 20 0.34 0.54 +*++++++++++++++++++ peak 925 Upper HG2 GLU 60 - H ALA 417 5.50 12 0.12 0.34 +++ ++ ++ +*++ + peak 1290 Upper QB ALA 61 - HG LEU 62 4.48 7 0.18 0.62 + ++ + + +* peak 2282 HG LEU 62 - HB3 PRO 112 Upper QB ALA 61 - QD PHE 392 3.23 20 3.51 3.69 ++++++++++++++++*+++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 1.87 2.03 ++*+++++++++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.75 7 0.22 0.71 + +* + + ++ peak 884 Upper H LEU 62 - HB3 LEU 65 5.50 12 0.17 0.59 +*++ + + ++++++ peak 2390 Upper H LEU 62 - QB GLN 359 4.52 20 0.78 1.12 *+++++++++++++++++++ peak 881 Upper HA LEU 62 - HG2 GLN 91 5.50 17 0.33 0.75 +++++++*++++++ +++ peak 3222 Upper HB3 LEU 62 - QG1 VAL 88 4.11 6 0.10 0.43 ++ + + +* peak 8197 Upper QD1 LEU 62 - H GLU 113 5.15 18 0.22 0.41 +*+++ ++ +++++++++++ peak 2307 Upper QD1 LEU 62 - HA GLU 113 4.20 20 0.53 0.92 ++++++++++++++*+++++ peak 3837 Upper QD1 LEU 62 - H ALA 115 5.50 20 0.87 1.03 *+++++++++++++++++++ peak 1288 Upper QD1 LEU 62 - H ALA 116 4.72 20 0.62 0.74 ++++++++*+++++++++++ peak 978 Upper QD1 LEU 62 - HA ALA 116 5.50 18 0.22 0.55 +++++++++++++++ *++ peak 3885 Upper QD1 LEU 62 - QB ALA 116 3.65 20 0.44 0.69 +++++++++++++++++*++ peak 1619 Upper QD1 LEU 62 - H ALA 363 4.40 20 0.70 0.95 +++*++++++++++++++++ peak 8311 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.12 1.26 ++++++++++++++*+++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 1.39 1.56 ++++++++++*+++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 18 0.26 0.34 +++++ *++++++++ ++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 1.16 1.23 +*++++++++++++++++++ peak 8267 Upper QD2 LEU 62 - H LEU 65 5.50 13 0.18 0.44 *++ + + +++++ ++ + peak 2315 Upper QD2 LEU 62 - HG LEU 65 4.50 20 0.98 1.61 +++++++++++*++++++++ peak 2375 Upper QD2 LEU 62 - HA LEU 89 5.50 14 0.19 0.43 +++ ++ +++++ * +++ peak 3177 Upper QD2 LEU 62 - HA PHE 92 5.50 13 0.27 0.76 *++ ++ + +++++ + + peak 3228 Upper QD2 LEU 62 - HB2 PHE 92 5.50 17 0.29 0.48 +++ + ++++*++++++ ++ peak 3238 Upper QD2 LEU 62 - HB3 PHE 92 4.39 12 0.14 0.37 *++ + + +++++ + + peak 2268 Upper QD2 LEU 62 - QD PHE 92 3.74 9 0.07 0.21 + ++ + ++ +*+ peak 147 Upper QD2 LEU 62 - HA PRO 112 4.44 19 0.22 0.37 +++ ++++++++++++++*+ peak 2289 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.08 1.54 +++++++++++++++++*++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.82 1.40 +++++*++++++++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 19 0.45 0.71 +++++*++++++++++ +++ peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 18 0.34 0.75 ++++++++*++++++ +++ peak 8266 Upper H ALA 63 - QD1 LEU 362 4.40 20 0.69 1.00 ++++++++++++++*+++++ peak 8311 Upper QB ALA 63 - HE22 GLN 64 4.82 19 0.29 0.53 ++++++++++ +++++++*+ peak 926 Upper HA GLN 64 - HE22 GLN 64 5.50 15 0.18 0.38 ++ ++*++ +++++ +++ peak 394 Upper H LEU 65 - HG2 GLU 67 5.50 10 0.09 0.21 +++ +++ +++* peak 2478 Upper QD1 LEU 65 - HA GLN 91 4.57 8 0.09 0.28 + +* + + + ++ peak 3219 Upper QD1 LEU 65 - QB ALA 95 4.63 19 0.41 0.71 +++++++++++++++* +++ peak 8283 Upper QD2 LEU 65 - QB ALA 95 5.38 20 0.43 0.72 +++++++++++++++*++++ peak 8169 Upper HA ARG 66 - QG1 VAL 88 4.59 19 0.33 0.43 +++++++++++*++++ +++ peak 3845 Upper HA ARG 66 - QG2 VAL 88 3.40 12 0.24 0.54 ++*+++++++ + + peak 3844 Upper QB ARG 66 - QG1 VAL 88 3.97 11 0.13 0.32 + + +++++++ +* peak 8199 Upper QG ARG 66 - HG3 GLU 67 5.50 12 0.21 0.69 ++ *+ +++ +++++ peak 2459 Upper QG ARG 66 - QG2 VAL 88 3.52 20 0.58 0.90 +++++*++++++++++++++ peak 3144 Upper H GLU 67 - HG LEU 68 5.50 14 0.52 1.24 + + ++ ++++++ *+++ peak 2527 Upper H GLU 67 - QD1 LEU 84 5.50 12 0.18 0.41 +*++ ++++ ++++ peak 957 Upper HA GLU 67 - HG2 GLU 67 3.99 8 0.08 0.20 + + +++++* peak 1363 Upper H LEU 68 - QD2 LEU 68 4.10 7 0.06 0.19 + +++ + + * peak 2534 Upper HB2 CYS 69 - HB3 LEU 73 5.18 8 0.16 0.51 + + ++ *+ + + peak 2564 Upper QB ARG 70 - H ARG 74 4.01 11 0.15 0.39 ++ * ++ +++ + ++ peak 995 Upper HD2 ARG 70 - H ARG 74 5.50 9 0.09 0.25 *+ +++++ + + peak 2606 Upper HD1 TRP 72 - QD2 LEU 73 5.05 17 0.21 0.38 ++++++++++++*+ ++ + peak 227 Upper HZ2 TRP 72 - HB3 LEU 86 5.50 10 0.25 0.63 +*++ + + ++ ++ peak 3072 HH2 TRP 72 - HB3 LEU 86 Upper HZ2 TRP 72 - QD1 LEU 86 5.11 17 0.30 0.59 ++++ ++++++++++* ++ peak 194 Upper HZ2 TRP 72 - HG LEU 87 4.92 17 0.23 0.86 ++ ++ +++++++++++*+ peak 190 Upper HH2 TRP 72 - HA LEU 87 4.43 14 0.17 0.39 + ++ + + +++++ + +*+ peak 120 Upper QD1 LEU 73 - QB LEU 84 4.92 6 0.07 0.41 ++ ++ *+ peak 2939 Upper QD1 LEU 73 - HG LEU 84 4.86 8 0.12 0.52 *+ +++ ++ + peak 2993 Upper QD1 LEU 73 - H VAL 88 5.13 20 0.27 0.45 *+++++++++++++++++++ peak 1124 Upper QD2 LEU 73 - HA LEU 86 5.50 20 0.37 0.61 ++++++++++++++++++*+ peak 1785 Upper QD2 LEU 73 - HG LEU 86 5.50 6 0.06 0.22 ++ + + * + peak 3066 Upper HD2 PRO 75 - H VAL 77 5.50 8 0.09 0.38 ++ +++ + + * peak 304 Upper HD2 PRO 75 - QD1 LEU 84 4.49 11 0.13 0.71 ++++ ++++ + +* peak 3006 Upper H GLU 76 - QG1 VAL 77 5.50 6 0.08 0.31 * +++ + + peak 2770 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.35 1.33 + +++ * + peak 2779 Upper HB VAL 77 - HG2 ARG 78 3.66 6 0.15 0.56 + +++ + * peak 2775 Upper HA VAL 88 - HB3 PRO 112 4.67 8 0.07 0.15 ++ + ++* + + peak 3139 Upper HB VAL 88 - H LEU 89 3.24 13 0.61 0.97 ++++++++++ + * + peak 1130 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.17 1.42 ++++++++++++++*+++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.04 1.41 ++++++++++++++*+++++ peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 4.28 10 0.38 1.10 ++++ + + ++*+ peak 3778 Upper H LEU 89 - HG2 PRO 112 4.52 19 0.26 0.41 ++++++++++*++ ++++++ peak 1129 Upper QD1 LEU 89 - HD2 PRO 112 5.50 10 0.22 0.58 +++ + + ++++ * peak 3775 Upper HE22 GLN 91 - H ALA 95 5.37 18 0.24 0.38 ++*+++++++++++ ++++ peak 446 Upper H PHE 92 - H ALA 95 5.50 20 0.44 0.52 ++++++++*+++++++++++ peak 426 Upper H PHE 92 - QB ALA 95 5.50 20 0.53 0.64 ++++++*+++++++++++++ peak 1728 Upper H PHE 92 - HB3 PRO 112 4.56 16 0.20 0.39 ++++*+++++++ +++ + peak 1166 Upper HA PHE 92 - H ALA 95 3.86 20 0.23 0.31 ++++++++*+++++++++++ peak 449 Upper HA PHE 92 - QB ALA 95 3.83 13 0.14 0.29 ++ +++*++ +++ + + peak 1716 Upper QD PHE 92 - QD2 LEU 93 3.14 9 0.16 0.45 +++ + + * ++ + peak 149 Upper QD PHE 92 - QD1 LEU 96 4.38 7 0.16 0.50 * ++ ++ + + peak 148 Upper QD PHE 92 - QD2 LEU 96 5.38 6 0.05 0.18 * ++ ++ + peak 153 Upper QD PHE 92 - QB ALA 361 3.23 20 3.50 3.64 ++*+++++++++++++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.62 1.25 +++++++++++++++*++++ peak 8215 Upper QE PHE 92 - QD1 LEU 96 3.82 7 0.10 0.36 * ++ ++ + + peak 165 Upper QE PHE 92 - QB ALA 115 3.63 14 0.13 0.30 + + + +++*+++++ ++ peak 180 Upper QE PHE 92 - QB ALA 361 3.18 20 1.85 2.00 ++*+++++++++++++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 19 0.36 0.61 ++++++++++++++++* ++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 5.50 8 0.16 0.50 * +++ ++ + + peak 182 Upper HZ PHE 92 - QD2 LEU 96 4.71 20 0.45 0.55 +++++++++++++++*++++ peak 183 Upper HZ PHE 92 - QB ALA 115 4.48 20 0.32 0.44 +++++++++++*++++++++ peak 178 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 1.37 1.63 +++++++*++++++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.50 11 0.26 0.66 + + + ++++ *+ + + peak 3357 Upper HA LEU 93 - QD1 LEU 96 3.59 7 0.10 0.28 + + ++ *+ + peak 3332 Upper HA LEU 93 - QD2 LEU 96 5.37 6 0.07 0.26 + ++ ++ * peak 3260 Upper HB2 LEU 93 - QD1 LEU 96 5.50 8 0.12 0.43 + + ++ ++ + * peak 3258 Upper HB3 LEU 93 - HE21 GLN 101 5.50 12 0.18 0.38 ++*+ ++ + ++ + + + peak 1199 Upper HG LEU 93 - QD1 LEU 96 5.50 9 0.24 0.69 +++ + + * ++ + peak 3265 Upper QD1 LEU 93 - H ALA 115 5.50 11 0.28 0.62 +*+ + + + ++ + ++ peak 3299 Upper QD2 LEU 93 - QD1 LEU 96 3.81 11 0.15 0.32 ++ ++ * + ++ +++ peak 3318 Upper H GLY 94 - QD1 LEU 96 5.48 7 0.07 0.28 + ++ +* + + peak 1181 Upper H ALA 95 - HG LEU 96 4.98 13 0.48 1.41 +++*+++ + ++ + + + peak 3361 Upper QB ALA 95 - QD PHE 350 3.01 20 4.31 4.44 +++++*++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 2.44 2.57 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 0.58 0.73 +++*++++++++++++++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.26 2.41 +++++++++++++*++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 1.81 1.93 +++++++++++++*++++++ peak 8176 Upper H LEU 96 - HG LEU 96 3.38 12 0.40 0.69 +++ +++ + ++ + + * peak 1185 Upper H LEU 96 - HA GLN 101 5.50 7 0.10 0.36 * ++ ++ + + peak 3521 Upper HA LEU 96 - H GLN 101 5.50 7 0.07 0.17 * + + + + ++ peak 3367 Upper HB2 LEU 96 - HG2 GLN 101 4.53 11 0.09 0.24 ++++ ++ + ++ * + peak 4096 Upper HB2 LEU 96 - HE22 GLN 101 5.50 13 0.20 0.36 +++++++ * ++ + + + peak 1206 Upper HB3 LEU 96 - HA GLN 101 5.50 18 0.31 0.50 ++++++++++++++++ + * peak 3335 Upper HB3 LEU 96 - QD TYR 352 5.50 20 1.46 1.63 +++++*++++++++++++++ peak 8340 Upper HG LEU 96 - HA VAL 119 3.95 9 0.33 1.10 ++++ *+ + ++ peak 3944 Upper HG LEU 96 - QG1 VAL 119 3.43 8 0.26 0.80 ++ +++ ++ * peak 3952 Upper QD1 LEU 96 - H ILE 100 4.83 12 0.16 0.41 +++ +++ + ++ + * + peak 234 Upper QD1 LEU 96 - QG2 ILE 100 3.11 6 0.05 0.25 + + + *+ + peak 1609 Upper QD1 LEU 96 - HG12 ILE 100 4.62 13 0.36 1.01 +*+++++ + ++ + + + peak 3468 Upper QD1 LEU 96 - HG13 ILE 100 5.50 6 0.04 0.24 + + + ++ * peak 3470 Upper QD1 LEU 96 - HA VAL 104 5.50 16 0.28 0.68 +++++ + +++++++*++ peak 3590 Upper QD1 LEU 96 - H GLN 105 5.50 15 0.24 0.56 +*+++++++ ++++ + + peak 3359 Upper QD2 LEU 96 - HG2 PRO 97 5.50 13 0.13 0.25 +++*+++ + ++ + + + peak 3411 Upper QD2 LEU 96 - H ILE 100 5.50 20 0.37 0.59 +++*++++++++++++++++ peak 284 Upper QD2 LEU 96 - HG13 ILE 100 5.34 6 0.05 0.20 ++ + ++ * peak 3471 Upper QD2 LEU 96 - QQG VAL 104 4.45 6 0.06 0.18 + + ++ * + peak 3592 Upper QD2 LEU 96 - QD TYR 352 3.68 20 0.92 1.05 +++++*++++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 0.59 0.69 +++++*++++++++++++++ peak 8182 Upper HB2 PRO 97 - HB ILE 100 5.37 7 0.09 0.31 + + + *+ + + peak 3458 Upper HB2 PRO 97 - HG13 ILE 100 4.74 6 0.18 0.68 * + + ++ + peak 3395 Upper HD2 PRO 97 - QG2 ILE 100 5.13 11 0.10 0.28 +++ + + + ++ + + * peak 1616 Upper HD2 PRO 97 - HG12 ILE 100 5.50 6 0.09 0.33 + * ++ + + peak 3481 Upper HD2 PRO 97 - HE21 GLN 101 5.50 19 0.16 0.23 +++ +++*++++++++++++ peak 3428 Upper HA ILE 100 - HB2 ARG 103 4.23 7 0.08 0.30 +++ + *+ + peak 3455 Upper QG2 ILE 100 - HG3 GLN 101 4.38 11 0.20 0.51 ++ + + + +*++ ++ peak 1612 Upper QD1 ILE 100 - HA ARG 123 5.50 19 0.30 0.49 +*++++++++++++++ +++ peak 3484 Upper QD1 ILE 100 - QD ARG 123 4.06 19 0.28 0.42 + ++++++++*+++++++++ peak 2729 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.74 1.83 +++++*++++++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.33 1.49 +++++*++++++++++++++ peak 8114 Upper QB ALA 102 - HE21 GLN 105 5.50 7 0.07 0.36 + *+ +++ + peak 1223 Upper QD ARG 103 - QD1 LEU 122 4.21 6 0.07 0.24 +++ +* + peak 4007 Upper QQG VAL 104 - HE21 GLN 107 3.77 8 0.07 0.35 ++ + + *+ ++ peak 1240 Upper H GLN 107 - H ARG 108 3.93 20 0.51 0.58 +++++++++++++++++++* peak 491 Upper H ARG 108 - HG2 PRO 109 5.50 19 0.21 0.61 ++++++++++++++++*++ peak 1247 Upper HB3 PRO 109 - QD1 LEU 118 3.86 6 0.08 0.24 ++ + * + + peak 3685 Upper HB2 PRO 112 - QD1 LEU 362 4.16 20 0.28 0.45 ++++++++++++++++*+++ peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.18 1.30 ++++++++++++++++*+++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 15 0.22 0.60 +++++ ++++++*+++ peak 8266 Upper HD2 PRO 112 - HB2 GLU 113 4.47 7 0.07 0.23 + + +++ + * peak 3771 Upper HG2 GLU 113 - H GLU 114 4.89 10 0.13 0.51 +++ + + ++* + + peak 3817 Upper HG2 GLU 113 - HG LEU 362 5.06 6 0.09 0.54 ++ ++ + * peak 3840 Upper HG3 GLU 113 - H GLU 114 4.40 8 0.29 0.87 + ++ * ++ + + peak 3819 Upper HA GLU 114 - QD2 LEU 118 4.53 7 0.07 0.24 +++ + + + * peak 3882 Upper HA ALA 116 - HB VAL 119 4.00 6 0.14 0.65 ++ + + *+ peak 3960 Upper HA ALA 116 - QG2 VAL 119 4.49 11 0.14 0.39 +++ ++ * ++ + + + peak 1759 Upper QB ALA 116 - H GLN 359 5.25 20 0.19 0.30 ++++++++++++++++*+++ peak 840 Upper QB ALA 116 - QB GLN 359 3.32 14 0.21 0.51 ++++ ++ + ++ ++*++ peak 8137 Upper QB ALA 116 - HG2 GLN 359 4.09 6 0.09 0.39 * + + ++ + peak 2206 Upper H ALA 117 - QG1 VAL 119 4.84 11 0.14 0.33 + ++ + ++++*+ + peak 1298 Upper H ALA 117 - HG2 GLU 360 5.50 10 0.10 0.26 + + +* ++++ + + peak 1290 Upper HA LEU 118 - HG LEU 122 5.01 6 0.05 0.20 *+ + ++ + peak 4004 Upper HB3 LEU 118 - H GLY 121 5.03 13 0.12 0.29 +++ +++*++++ ++ peak 3909 Upper HA VAL 119 - HB3 LEU 122 5.19 9 0.12 0.37 + + * + ++++ + peak 3945 Upper HB VAL 119 - H ASP 120 3.27 8 0.33 0.94 *+ +++ ++ + peak 805 Upper QG2 VAL 119 - HG LEU 122 3.83 11 0.13 0.34 + + * ++++++ + + peak 3955 Upper QG2 VAL 119 - QD ARG 123 3.62 11 0.16 0.39 + + +*++ ++ + + + peak 4025 Upper H ASP 120 - QD ARG 123 5.34 7 0.08 0.20 + +* + +++ peak 4042 Upper H ALA 343 - HA TRP 372 5.50 19 0.38 0.58 +++*+++ ++++++++++++ peak 693 Upper HA ALA 343 - QB ARG 346 3.57 9 0.09 0.35 ++ * ++++ + + peak 1584 Upper QB ALA 343 - HG LEU 368 3.84 14 0.22 0.39 + + + ++++ +*+++++ peak 1528 Upper HD3 ARG 344 - HE1 TRP 372 4.75 7 0.09 0.30 + * + + +++ peak 253 Upper H LEU 345 - HG LEU 345 3.23 10 0.16 0.70 ++ + ++ ++ * + + peak 686 Upper HA LEU 345 - H CYS 349 5.12 8 0.11 0.33 + + + + + +*+ peak 759 Upper QD2 LEU 345 - H ARG 348 5.46 8 0.08 0.21 ++ *+ + ++ + peak 1954 Upper H ARG 346 - QD2 LEU 368 5.50 6 0.13 0.59 +* + + + + peak 2532 Upper QD PHE 347 - HB3 CYS 369 5.50 10 0.23 0.57 *+ +++ +++ ++ peak 2542 Upper QE PHE 347 - HG LEU 365 3.76 13 0.38 0.84 ++++ +*+ ++ ++ ++ peak 317 Upper QE PHE 347 - QG1 VAL 388 4.50 10 0.10 0.31 + *+++ ++ + ++ peak 2762 Upper QE PHE 347 - QG2 VAL 388 4.50 6 0.08 0.32 + + + +* + peak 3164 Upper H PHE 350 - QD1 LEU 368 5.50 9 0.14 0.42 ++ ++ + ++ * + peak 2509 Upper HB2 PHE 350 - H HIS 351 4.34 8 0.09 0.12 + + +*++ + + peak 781 Upper HB3 PHE 350 - QB ALA 395 5.09 18 0.33 0.55 +++++++++++*+ +++ ++ peak 2008 Upper QD PHE 350 - QD2 LEU 365 3.74 7 0.06 0.17 +++ *+ ++ peak 281 Upper QD PHE 350 - QD1 LEU 368 4.34 11 0.14 0.45 ++ + + ++++ +* + peak 2510 Upper QD PHE 350 - QB ALA 395 3.77 20 0.53 0.76 +++++++++++*++++++++ peak 278 Upper QE PHE 350 - HB2 GLU 360 3.80 6 0.08 0.43 + + + + * + peak 265 Upper QE PHE 350 - HB2 GLN 364 4.34 19 0.22 0.39 +++++++++++++ +*++++ peak 264 Upper QE PHE 350 - QB ALA 395 4.34 20 0.52 0.76 ++++*+++++++++++++++ peak 1723 Upper H TYR 352 - HD2 PRO 397 5.50 19 0.34 0.61 ++++++++++++++*++ ++ peak 789 Upper QB TYR 352 - H ALA 395 5.13 9 0.12 0.36 ++ + + ++ + +* peak 1114 Upper QB TYR 352 - QB ALA 395 3.70 20 0.39 0.54 +++++++++++*++++++++ peak 1713 Upper QB TYR 352 - QD2 LEU 396 4.16 18 0.44 0.74 ++++++++++ +*++ ++++ peak 8179 Upper QB TYR 352 - HD3 PRO 397 5.50 20 0.44 0.61 ++++++++++++++++*+++ peak 3382 Upper QD TYR 352 - QB ALA 395 3.77 20 0.46 0.59 +++++++++++*++++++++ peak 246 Upper QD TYR 352 - QD1 LEU 396 4.59 12 0.33 0.66 ++* + +++ ++ +++ peak 251 Upper QD TYR 352 - QD2 LEU 396 3.35 9 0.08 0.23 ++ + + + *+ ++ peak 252 Upper QD TYR 352 - HG3 PRO 397 5.50 7 0.07 0.17 + * + ++ + + peak 3432 Upper QD TYR 352 - QD1 ILE 400 4.53 18 0.16 0.27 ++++++++ + +++++*+++ peak 3486 Upper QE TYR 352 - QG GLU 353 5.50 20 0.22 0.29 +++++++++++*++++++++ peak 2087 Upper QE TYR 352 - QG2 THR 356 4.64 20 0.41 0.61 +++++++++++++*++++++ peak 236 Upper QE TYR 352 - HB2 PRO 358 5.50 14 0.17 0.35 + +*++ + ++ ++++ ++ peak 2168 Upper QE TYR 352 - HB3 PRO 358 4.23 15 0.21 0.39 ++ +*++ + ++ ++++ ++ peak 232 Upper QE TYR 352 - QD1 LEU 396 4.85 20 0.33 0.43 +++++++++++++*++++++ peak 239 Upper QE TYR 352 - HG2 PRO 397 5.50 8 0.09 0.20 + * ++ + ++ + peak 3429 Upper QE TYR 352 - QG1 VAL 419 5.50 20 0.92 1.38 ++++++*+++++++++++++ peak 3975 Upper QE TYR 352 - QG2 VAL 419 4.54 20 0.73 0.89 +++*++++++++++++++++ peak 8189 Upper HA GLU 354 - QG GLU 354 3.17 8 0.06 0.15 + + *+ ++ + + peak 101 HA GLU 54 - QG GLU 354 Upper QB ALA 355 - HB THR 356 4.14 15 0.15 0.30 + ++ ++ +++++++*++ peak 8150 Upper HB THR 356 - HG3 GLU 360 5.16 20 0.59 1.22 +++++*++++++++++++++ peak 2105 Upper QG2 THR 356 - HB3 GLU 360 3.51 13 0.21 0.43 ++ + +++ *+++ + + + peak 1767 Upper QG2 THR 356 - HG2 GLU 360 3.88 9 0.18 0.67 + ++ + * + +++ peak 2231 Upper H GLY 357 - H GLU 360 5.50 20 0.33 0.42 +++++++++*++++++++++ peak 398 Upper HA PRO 358 - H LEU 362 5.50 20 0.42 0.60 ++++++++++++++*+++++ peak 875 Upper HB2 PRO 358 - QE PHE 392 4.20 20 0.52 0.63 ++++++++*+++++++++++ peak 156 Upper HB2 PRO 358 - HZ PHE 392 4.08 20 1.26 1.40 ++++++++++++++++*+++ peak 168 Upper HB2 PRO 358 - QB ALA 416 5.00 20 1.34 1.45 ++++++++++++++++++*+ peak 8262 Upper HB2 PRO 358 - QG1 VAL 419 4.66 7 0.15 0.69 + * + + + ++ peak 2133 Upper HB2 PRO 358 - QG2 VAL 419 5.13 7 0.07 0.22 + * + ++ ++ peak 2131 Upper HB3 PRO 358 - QE PHE 392 5.07 20 0.75 0.90 ++++++++++++++++*+++ peak 2175 Upper HB3 PRO 358 - QG1 VAL 419 4.93 18 0.39 1.09 ++++ *+++++++++++++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.56 20 0.80 0.98 +++*++++++++++++++++ peak 2140 Upper HG3 PRO 358 - HZ PHE 392 5.03 19 0.24 0.40 +++++*+++++++++++ ++ peak 2165 HG3 PRO 358 - H LEU 396 Upper HD2 PRO 358 - QB ALA 395 4.19 12 0.12 0.28 ++*+ ++ + ++ + ++ peak 8166 Upper HD2 PRO 358 - QG2 VAL 419 5.41 20 0.74 0.97 ++++++*+++++++++++++ peak 2145 Upper H GLN 359 - H LEU 362 5.50 19 0.26 0.38 *+++++++++++++++ +++ peak 161 Upper H GLN 359 - HB2 LEU 362 5.50 20 0.85 1.05 *+++++++++++++++++++ peak 2295 Upper HA GLN 359 - HB3 LEU 362 5.02 20 0.46 0.67 *+++++++++++++++++++ peak 1873 Upper HA GLN 359 - H ALA 363 5.06 20 0.57 0.79 +++*++++++++++++++++ peak 2216 Upper QB GLN 359 - HE21 GLN 359 3.91 6 0.17 0.60 + * + + + + peak 848 Upper HG2 GLN 359 - HE22 GLN 359 3.53 13 0.22 0.39 +++* +++ + ++ + ++ peak 828 Upper HG3 GLN 359 - QB ALA 416 4.77 13 0.17 0.36 + ++++ + ++ +++ + * peak 2205 HG3 GLN 59 - QB ALA 416 Upper HB3 GLU 360 - HE22 GLN 364 5.27 20 0.32 0.49 +++++++++*++++++++++ peak 925 Upper H LEU 362 - HB3 LEU 365 5.50 11 0.12 0.37 ++ + + ++++ * + + peak 2390 Upper HA LEU 362 - HG2 GLN 391 5.50 12 0.14 0.46 + + + +++++ * ++ + peak 3222 Upper QD1 LEU 362 - H GLU 413 5.15 17 0.21 0.46 +++++++ ++++++ ++*+ peak 2307 Upper QD1 LEU 362 - HA GLU 413 4.20 20 0.55 0.95 +++*++++++++++++++++ peak 3837 Upper QD1 LEU 362 - H ALA 415 5.50 20 0.87 1.03 +++++++++++++*++++++ peak 1288 Upper QD1 LEU 362 - H ALA 416 4.72 20 0.57 0.73 ++++++++++++++*+++++ peak 978 Upper QD1 LEU 362 - HA ALA 416 5.50 17 0.18 0.34 +++*+ ++ +++ +++++++ peak 3885 Upper QD1 LEU 362 - QB ALA 416 3.65 20 0.39 0.58 ++++++++++++++*+++++ peak 1619 Upper QD2 LEU 362 - H LEU 365 5.50 16 0.22 0.48 *++ ++++++++++ +++ peak 2315 Upper QD2 LEU 362 - HG LEU 365 4.50 17 0.64 1.66 +++ +++++++++++ *++ peak 2375 Upper QD2 LEU 362 - QD1 LEU 365 3.99 6 0.09 0.45 ++ + + + * peak 2261 Upper QD2 LEU 362 - HA LEU 389 5.50 16 0.29 0.60 ++ ++++ ++*+++++ ++ peak 3177 Upper QD2 LEU 362 - HA PHE 392 5.50 19 0.35 0.61 +++++++++++++*+++ ++ peak 3228 Upper QD2 LEU 362 - HB2 PHE 392 5.50 20 0.40 0.58 ++++++++++++*+++++++ peak 3238 Upper QD2 LEU 362 - HB3 PHE 392 4.39 15 0.20 0.38 ++++++++ +++*+ ++ peak 2268 Upper QD2 LEU 362 - QD PHE 392 3.74 9 0.11 0.30 + ++ + +*++ + peak 147 Upper QD2 LEU 362 - HA PRO 412 4.44 18 0.27 0.40 ++++++++ ++++*++++ + peak 2289 Upper QB ALA 363 - HE22 GLN 364 4.82 20 0.32 0.48 ++++++++++++++++*+++ peak 926 Upper HA GLN 364 - HE22 GLN 364 5.50 12 0.16 0.31 ++ * ++++ + ++++ peak 394 Upper H LEU 365 - HG2 GLU 367 5.50 11 0.10 0.23 *+ +++ + + ++ ++ peak 2478 Upper QD1 LEU 365 - QB ALA 395 4.63 20 0.39 0.63 ++++++++++++++*+++++ peak 8283 Upper QD2 LEU 365 - QB ALA 395 5.38 19 0.38 0.61 +++++++++++*+++++ ++ peak 8169 Upper HA ARG 366 - QG1 VAL 388 4.59 14 0.28 0.59 +* ++ ++++ ++++++ peak 3845 Upper QB ARG 366 - QG1 VAL 388 3.97 7 0.09 0.44 * + +++ + + peak 8199 Upper QG ARG 366 - HG3 GLU 367 5.50 17 0.32 0.69 + +++ +*+++++ ++++++ peak 2459 Upper QG ARG 366 - QG1 VAL 388 4.60 7 0.22 0.78 + +++ ++ * peak 2412 Upper QG ARG 366 - QG2 VAL 388 3.52 20 0.48 0.92 +++++++++*++++++++++ peak 3144 Upper H GLU 367 - HG LEU 368 5.50 8 0.32 1.18 ++++ + * ++ peak 2527 Upper H GLU 367 - QD1 LEU 384 5.50 7 0.10 0.41 + +++ +* + peak 957 Upper H LEU 368 - QD2 LEU 368 4.10 9 0.08 0.23 + + ++ + ++*+ peak 2534 Upper HB2 CYS 369 - HB3 LEU 373 5.18 11 0.20 0.44 ++ + ++ ++ +*++ peak 2564 Upper HB2 CYS 369 - QD1 LEU 384 4.08 9 0.08 0.26 ++ ++ + *+++ peak 3002 Upper QB ARG 370 - H ARG 374 4.01 15 0.21 0.46 +++* + ++ + +++++ ++ peak 995 Upper HD2 ARG 370 - H ARG 374 5.50 10 0.15 0.76 ++ * +++ ++ + + peak 2606 Upper HD1 TRP 372 - QD2 LEU 373 5.05 17 0.19 0.33 +++++++*+ + ++ +++++ peak 227 Upper HZ2 TRP 372 - HB3 LEU 386 5.50 15 0.36 0.72 ++ ++++*++ +++ ++ + peak 3072 HH2 TRP 372 - HB3 LEU 386 Upper HZ2 TRP 372 - QD1 LEU 386 5.11 14 0.22 0.56 +*+++ ++ + +++ +++ peak 194 Upper HZ2 TRP 372 - HG LEU 387 4.92 16 0.24 0.89 +++++ ++++ *++ ++ ++ peak 190 Upper HH2 TRP 372 - HA LEU 387 4.43 12 0.16 0.49 +++ +++ ++*+ ++ peak 120 Upper QD1 LEU 373 - HG LEU 384 4.86 14 0.20 0.47 ++*+ +++ + +++ +++ peak 2993 Upper QD1 LEU 373 - H LEU 386 5.50 6 0.07 0.24 + + ++ + * peak 1100 Upper QD1 LEU 373 - H VAL 388 5.13 19 0.24 0.37 +++++*+++ ++++++++++ peak 1124 Upper QD2 LEU 373 - QB LEU 384 5.10 7 0.08 0.23 + + + * ++ + peak 2938 Upper QD2 LEU 373 - HA LEU 386 5.50 20 0.39 0.52 ++++++++++++++*+++++ peak 1785 Upper QD2 LEU 373 - HG LEU 386 5.50 12 0.10 0.21 + +*+++ + +++ ++ peak 3066 Upper QD2 LEU 373 - QD1 LEU 386 3.35 10 0.10 0.28 ++ +++* ++ + + peak 3068 Upper HD2 PRO 375 - H VAL 377 5.50 10 0.11 0.25 + ++* + +++ ++ peak 304 Upper HD2 PRO 375 - QD1 LEU 384 4.49 6 0.05 0.20 + + + + + * peak 3006 Upper H GLU 376 - QG1 VAL 377 5.50 9 0.12 0.33 + * + + + ++ ++ peak 2770 Upper QB GLU 376 - QG2 VAL 377 4.51 9 0.11 0.31 + + + + + ++ +* peak 1731 Upper HG2 GLU 376 - QG1 VAL 377 3.10 9 0.50 1.19 + + + + + ++ *+ peak 2779 Upper HB VAL 377 - HG2 ARG 378 3.66 9 0.22 0.51 + + + + * ++ ++ peak 2775 Upper HG2 ARG 378 - H SER 379 4.48 9 0.07 0.17 + + + * + ++ ++ peak 2830 Upper H LEU 386 - HG LEU 386 4.18 7 0.08 0.25 + ++ * + ++ peak 3075 Upper HA VAL 388 - HB3 PRO 412 4.67 6 0.05 0.22 + * + + ++ peak 3139 Upper HB VAL 388 - H LEU 389 3.24 8 0.38 0.97 + + * + + ++ + peak 1130 Upper QG2 VAL 388 - HG3 PRO 412 4.28 14 0.60 1.21 +*++ ++ + + ++++ ++ peak 3778 Upper H LEU 389 - HG2 PRO 412 4.52 18 0.23 0.38 ++ +++++*++++++++++ peak 1129 Upper HB3 LEU 389 - HG2 PRO 412 4.97 6 0.09 0.38 * + + + + + peak 3787 Upper QD1 LEU 389 - HD2 PRO 412 5.50 11 0.21 0.50 ++ ++ + + + ++*+ peak 3775 Upper QD2 LEU 389 - HA PRO 412 4.01 7 0.10 0.55 * + + + + ++ peak 3744 Upper HE22 GLN 391 - H ALA 395 5.37 16 0.19 0.37 +++ + ++++*+ ++ ++++ peak 446 Upper H PHE 392 - H ALA 395 5.50 20 0.43 0.50 +++*++++++++++++++++ peak 426 Upper H PHE 392 - QB ALA 395 5.50 20 0.49 0.61 ++++*+++++++++++++++ peak 1728 Upper H PHE 392 - HB3 PRO 412 4.56 18 0.19 0.37 + +*++++++ +++++++++ peak 1166 Upper HA PHE 392 - H ALA 395 3.86 20 0.23 0.28 ++++*+++++++++++++++ peak 449 Upper HA PHE 392 - QB ALA 395 3.83 10 0.12 0.31 +++ + ++ ++* + peak 1716 Upper QD PHE 392 - QD1 LEU 396 4.38 11 0.25 0.57 +++ + +++ +* ++ peak 148 Upper QD PHE 392 - QD2 LEU 396 5.38 10 0.09 0.25 ++ + +++ +* ++ peak 153 Upper QE PHE 392 - QD1 LEU 396 3.82 11 0.16 0.37 +++ + +*+ ++ ++ peak 165 Upper QE PHE 392 - QB ALA 415 3.63 14 0.14 0.31 ++++ ++++ *+ + + ++ peak 180 Upper HZ PHE 392 - QD1 LEU 396 5.50 11 0.22 0.47 +++ + +*+ ++ ++ peak 182 Upper HZ PHE 392 - QD2 LEU 396 4.71 19 0.45 0.61 ++++++++*++++++++ ++ peak 183 Upper HZ PHE 392 - QB ALA 415 4.48 20 0.29 0.49 +++++++++++*++++++++ peak 178 Upper H LEU 393 - QD1 LEU 396 5.50 13 0.37 0.70 +++ + +++ +* + +++ peak 3357 Upper HA LEU 393 - QD1 LEU 396 3.59 12 0.14 0.32 +++ + +++ +* + ++ peak 3332 Upper HA LEU 393 - QD2 LEU 396 5.37 11 0.11 0.26 *++ + +++ ++ ++ peak 3260 Upper HB2 LEU 393 - QD1 LEU 396 5.50 11 0.18 0.41 *++ + +++ ++ ++ peak 3258 Upper HB3 LEU 393 - HE21 GLN 401 5.50 9 0.11 0.37 *+ + ++ ++++ peak 1199 Upper QD1 LEU 393 - QG GLN 405 4.22 7 0.08 0.20 * + + + +++ peak 3599 Upper QD1 LEU 393 - H ALA 415 5.50 9 0.19 0.66 ++ +++ +* + + peak 3299 Upper QD2 LEU 393 - QD1 LEU 396 3.81 14 0.15 0.29 *+ +++++++++++ + peak 3318 Upper H GLY 394 - QD1 LEU 396 5.48 11 0.13 0.29 *++ + +++ ++ ++ peak 1181 Upper H ALA 395 - HG LEU 396 4.98 9 0.33 1.37 ++ + ++ +++* peak 3361 Upper H LEU 396 - HG LEU 396 3.38 8 0.27 0.71 ++ * ++ +++ peak 1185 Upper H LEU 396 - HA GLN 401 5.50 11 0.15 0.33 +++ + +++ +* ++ peak 3521 Upper HA LEU 396 - H GLN 401 5.50 11 0.11 0.19 +++ ++ + + + ++* peak 3367 Upper HB2 LEU 396 - HG2 GLN 401 4.53 9 0.08 0.25 *+ + ++ ++++ peak 4096 Upper HB2 LEU 396 - HE22 GLN 401 5.50 13 0.19 0.36 + *+++ ++ ++++++ peak 1206 Upper HB3 LEU 396 - HA GLN 401 5.50 18 0.32 0.60 ++ +++++ ++++++*++++ peak 3335 Upper HG LEU 396 - HA VAL 419 3.95 14 0.60 1.20 +++ ++++++ ++ + +* peak 3944 Upper QD1 LEU 396 - H ILE 400 4.83 8 0.09 0.32 ++ + +* +++ peak 234 Upper QD1 LEU 396 - HG12 ILE 400 4.62 8 0.31 1.06 ++ + * ++++ peak 3468 Upper QD1 LEU 396 - HE22 GLN 401 5.50 6 0.07 0.30 ++ + + *+ peak 1209 Upper QD1 LEU 396 - HA VAL 404 5.50 19 0.29 0.55 +++ +++++++*++++++++ peak 3590 Upper QD1 LEU 396 - H GLN 405 5.50 13 0.18 0.56 + ++++ + *+ +++++ peak 3359 Upper QD2 LEU 396 - HG2 PRO 397 5.50 9 0.08 0.24 ++ + ++ +++* peak 3411 Upper QD2 LEU 396 - H ILE 400 5.50 16 0.27 0.58 + +++ +++ +*+++++++ peak 284 Upper QD2 LEU 396 - HA GLN 401 5.50 7 0.06 0.25 + + + +++* peak 3502 Upper QD2 LEU 396 - QQG VAL 404 4.45 10 0.10 0.24 *+ ++++++ + + peak 3592 Upper HD2 PRO 397 - QG2 ILE 400 5.13 12 0.12 0.31 + +++* ++ ++++ + peak 1616 Upper HD2 PRO 397 - HE21 GLN 401 5.50 19 0.17 0.24 ++++++++*++++++++ ++ peak 3428 Upper QG2 ILE 400 - HG3 GLN 401 4.38 10 0.16 0.57 + ++ + ++ *+ ++ peak 1612 Upper QD1 ILE 400 - HA ARG 423 5.50 19 0.27 0.53 ++++ *++++++++++++++ peak 3484 Upper QD1 ILE 400 - QD ARG 423 4.06 18 0.32 0.65 *++++ +++++++++++++ peak 2729 Upper QQG VAL 404 - HE21 GLN 407 3.77 8 0.09 0.34 + + + +* ++ + peak 1240 Upper H GLN 407 - H ARG 408 3.93 20 0.48 0.56 +++++++++++++++*++++ peak 491 Upper H ARG 408 - HG2 PRO 409 5.50 15 0.20 0.54 +++ +*++++++ ++++ peak 1247 Upper HD2 PRO 412 - HB2 GLU 413 4.47 9 0.10 0.22 +++ +++ * ++ peak 3771 Upper HG2 GLU 413 - H GLU 414 4.89 8 0.10 0.28 *+ +++ + + + peak 3817 Upper HA GLU 414 - QD2 LEU 418 4.53 6 0.07 0.22 ++ + *++ peak 3882 Upper HA ALA 416 - QG2 VAL 419 4.49 10 0.13 0.44 ++ + ++ +*++ + peak 1759 Upper H ALA 417 - QG1 VAL 419 4.84 14 0.20 0.38 +++ +* +++ + ++ + ++ peak 1298 Upper HA ALA 417 - HB2 ASP 420 3.66 9 0.12 0.35 ++ ++ ++ ++* peak 1492 Upper HB3 LEU 418 - H GLY 421 5.03 12 0.13 0.28 ++ ++ + * ++ ++++ peak 3909 Upper HA VAL 419 - HB3 LEU 422 5.19 8 0.10 0.36 + + *+ + + + + peak 3945 Upper QG1 VAL 419 - H LEU 422 5.50 8 0.08 0.18 + + + + + * ++ peak 1328 Upper QG2 VAL 419 - HB2 ASP 420 4.80 6 0.06 0.23 + + ++ +* peak 3957 Upper QG2 VAL 419 - HG LEU 422 3.83 12 0.14 0.31 +++ *+ + + +++ ++ peak 3955 Upper QG2 VAL 419 - QD ARG 423 3.62 16 0.20 0.42 +++ +++++++*++++ + peak 4025 Upper H ASP 420 - QD ARG 423 5.34 10 0.09 0.20 + + +* +++ ++ + peak 4042 VdW HB2 PHE 47 - CB LEU 68 2.60 6 0.12 0.35 * + +++ + VdW CG PHE 47 - C PHE 47 2.90 12 0.20 0.25 ++++++*++ ++ + VdW CZ PHE 47 - HB3 LEU 87 2.60 7 0.17 0.32 + + + ++ + * VdW CZ PHE 47 - HB2 GLN 91 2.60 10 0.20 0.36 *+++ + + ++ + + VdW HA ARG 48 - HG2 GLN 91 2.00 10 0.19 0.42 ++* + ++ ++ + + VdW HA ARG 48 - OE1 GLN 91 2.30 13 0.24 0.39 + + ++ +++++ +* ++ VdW O CYS 49 - C PHE 50 2.80 8 0.20 0.25 + + +* + + + + VdW CD1 PHE 50 - CB ALA 61 3.20 8 0.14 0.38 + + + + +++ * VdW HE1 PHE 50 - CA PRO 58 2.60 6 0.10 0.26 + + + + +* VdW HZ PHE 50 - HB3 GLU 60 2.00 9 0.21 0.56 + ++++ + + +* VdW HZ PHE 50 - CG GLU 60 2.60 13 0.22 0.40 +*+ ++ ++ ++++ ++ VdW HE2 PHE 50 - O PRO 58 2.30 6 0.10 0.34 + + + + *+ VdW CD2 PHE 50 - CB ALA 61 3.20 6 0.12 0.35 + + + + +* VdW HB2 TYR 52 - N PRO 58 2.45 16 0.22 0.27 + +++ ++ +++ +*+++++ VdW HB2 TYR 52 - CA PRO 58 2.60 20 0.30 0.38 +++++++*++++++++++++ VdW HB2 TYR 52 - HA PRO 58 2.00 14 0.24 0.37 +++ +* ++++++ +++ VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 ++++++++++++++++*+++ VdW CG TYR 52 - HD3 PRO 58 2.60 20 0.39 0.48 +++++++++++++++*++++ VdW CD1 TYR 52 - C TYR 52 3.10 9 0.14 0.40 + +++* + + + + VdW CD1 TYR 52 - CA GLY 57 3.20 9 0.13 0.32 + ++*+ + + + + VdW CD1 TYR 52 - HA2 GLY 57 2.60 9 0.21 0.54 + ++*+ + + + + VdW CD1 TYR 52 - CD PRO 58 3.20 9 0.12 0.32 + ++++ + * + + VdW CD1 TYR 52 - HD3 PRO 58 2.60 9 0.25 0.62 + ++++ + * + + VdW CD1 TYR 52 - O ALA 95 2.90 7 0.13 0.42 + + + + * + + VdW HD1 TYR 52 - CA GLY 57 2.60 9 0.18 0.46 + +*++ + + + + VdW HD1 TYR 52 - HA2 GLY 57 2.00 8 0.12 0.38 + ++*+ + + + VdW HD1 TYR 52 - O ALA 95 2.30 7 0.10 0.32 + +* + + + + VdW HD1 TYR 52 - HA LEU 96 2.00 7 0.11 0.28 + +*+ + + + VdW CE1 TYR 52 - HD3 PRO 58 2.60 8 0.11 0.33 + +++ + + * + VdW HE1 TYR 52 - OH TYR 352 2.30 7 0.12 0.33 + *++ + + + VdW HE2 TYR 52 - OH TYR 352 2.30 8 0.13 0.32 + + *+++ + + VdW CD2 TYR 52 - C TYR 52 3.10 11 0.18 0.39 + ++ ++*+ + + + + VdW CD2 TYR 52 - CA GLY 57 3.20 11 0.16 0.39 + +* ++++ + + + + VdW CD2 TYR 52 - HA2 GLY 57 2.60 11 0.27 0.58 + ++ ++++ + + + * VdW CD2 TYR 52 - CD PRO 58 3.20 10 0.14 0.33 + ++ ++++ + + * VdW CD2 TYR 52 - HD3 PRO 58 2.60 11 0.30 0.62 + ++ ++++ + + * + VdW HD2 TYR 52 - CA GLY 57 2.60 11 0.23 0.49 + ++ ++++ + + * + VdW HD2 TYR 52 - HA2 GLY 57 2.00 10 0.18 0.49 + ++ + ++ + + * + VdW OH TYR 52 - HE1 TYR 352 2.30 8 0.11 0.32 + +* ++ ++ + VdW OH TYR 52 - HE2 TYR 352 2.30 9 0.13 0.29 + ++++ +++ * VdW OH TYR 52 - OH TYR 352 2.60 20 0.36 0.40 +++++++++++++++*++++ VdW O GLU 53 - N GLY 57 2.75 7 0.18 0.27 ++*+ + + + VdW O GLU 54 - CD1 ILE 400 2.90 6 0.17 0.33 * + + ++ + VdW HA ALA 55 - CD1 ILE 400 2.60 16 0.26 0.34 ++++++ +++ ++*+ + ++ VdW CG2 THR 56 - C THR 56 2.90 20 0.27 0.30 +++++++++++++++++*++ VdW O THR 56 - O GLY 57 2.60 16 0.28 0.46 *+++++ +++ ++++ + ++ VdW O THR 56 - CG1 VAL 419 2.90 6 0.14 0.26 ++ ++ +* VdW CD PRO 58 - CD PRO 358 3.20 20 0.51 0.58 +++++++++++++++++*++ VdW CD PRO 58 - CG PRO 358 3.20 20 0.52 0.65 ++*+++++++++++++++++ VdW CD PRO 58 - HG2 PRO 358 2.60 18 0.25 0.42 ++*+++++++++++ + +++ VdW CD PRO 58 - HD2 PRO 358 2.60 20 0.55 0.64 ++++++++*+++++++++++ VdW CB PRO 58 - CA ALA 95 3.20 20 0.53 0.61 ++++++++++++++++*+++ VdW CB PRO 58 - HA ALA 95 2.60 20 0.52 0.59 +++++++++++++++*++++ VdW CB PRO 58 - CB ALA 95 3.20 20 0.38 0.48 +++++++++++++*++++++ VdW CB PRO 58 - O ALA 95 2.90 11 0.25 0.39 ++ +++ + ++ ++ * VdW HB2 PRO 58 - CA ALA 95 2.60 15 0.26 0.47 ++ + ++ ++++++ *+++ VdW HB2 PRO 58 - CB ALA 95 2.60 20 0.52 0.71 ++++++++++++++++*+++ VdW HB2 PRO 58 - HB2 ALA 95 2.00 6 0.10 0.32 + + + ++ * VdW HB2 PRO 58 - HB2 GLN 359 2.00 15 0.25 0.40 ++++++++ + ++* +++ VdW HB3 PRO 58 - CA ALA 95 2.60 20 0.47 0.55 *+++++++++++++++++++ VdW HB3 PRO 58 - HA ALA 95 2.00 19 0.36 0.56 +++ +++++++++++*++++ VdW HB3 PRO 58 - C ALA 95 2.50 20 0.40 0.53 +++*++++++++++++++++ VdW HB3 PRO 58 - O ALA 95 2.30 20 0.45 0.70 +++++++++++++++++++* VdW CG PRO 58 - CD PRO 358 3.20 20 0.51 0.67 ++++++++++++++++*+++ VdW CG PRO 58 - CG PRO 358 3.20 15 0.24 0.31 +++ +++ + ++++++*+ VdW CG PRO 58 - HG2 PRO 358 2.60 14 0.21 0.30 ++*+ + + + ++++ +++ VdW CG PRO 58 - HD2 PRO 358 2.60 20 0.80 1.02 ++++++++++++++++*+++ VdW HG2 PRO 58 - CD PRO 358 2.60 15 0.23 0.45 +++++++++ ++ *+++ VdW HG2 PRO 58 - CG PRO 358 2.60 11 0.20 0.32 + + ++ + ++ *+++ VdW HG2 PRO 58 - HG2 PRO 358 2.00 20 0.29 0.38 ++++++++++++++++++*+ VdW HG2 PRO 58 - H GLN 359 1.95 20 0.46 0.56 +++++++++++++++++*++ VdW HG3 PRO 58 - HD2 PRO 358 2.00 19 0.34 0.52 +++++++++++++++ *+++ VdW HD2 PRO 58 - CD PRO 358 2.60 20 0.56 0.63 ++++++++*+++++++++++ VdW HD2 PRO 58 - CG PRO 358 2.60 20 0.81 1.00 ++*+++++++++++++++++ VdW HD2 PRO 58 - HG2 PRO 358 2.00 8 0.20 0.45 ++* + + + + + VdW HD2 PRO 58 - HG3 PRO 358 2.00 20 0.34 0.48 ++*+++++++++++++++++ VdW O PRO 58 - N ALA 61 2.75 13 0.22 0.33 +++ ++ ++*+ +++ + VdW O PRO 58 - H ALA 61 1.80 12 0.20 0.32 +++ ++ ++*+ + + + VdW O PRO 58 - HB1 ALA 61 2.30 8 0.14 0.41 *+ + + ++ + + VdW O PRO 58 - HB3 ALA 61 2.30 6 0.10 0.40 + + + + + * VdW O PRO 58 - NE2 GLN 359 2.75 7 0.14 0.31 ++ + ++ +* VdW H GLN 59 - HG2 PRO 358 1.95 20 0.43 0.53 ++++++++++++++++*+++ VdW CA GLN 59 - OE1 GLN 59 2.90 13 0.20 0.33 + ++++++ +++ +* + VdW HA GLN 59 - CD GLN 59 2.50 12 0.25 0.40 + +*++++ ++ ++ + VdW HA GLN 59 - OE1 GLN 59 2.30 13 0.24 0.44 + ++++++ +++ +* + VdW HA GLN 59 - CD GLN 359 2.50 7 0.16 0.48 + + + + + * + VdW HA GLN 59 - NE2 GLN 359 2.45 16 0.30 0.61 + +++++++++ +* + +++ VdW CB GLN 59 - CZ PHE 392 3.20 17 0.33 0.48 +++ +++++++++*+++ + VdW CB GLN 59 - CB ALA 395 3.20 18 0.28 0.46 ++ ++++*+++++++++++ VdW CB GLN 59 - HB1 ALA 395 2.60 8 0.12 0.33 *+ + ++ ++ + VdW CB GLN 59 - HB3 ALA 395 2.60 8 0.13 0.42 *++ ++ +++ VdW HB2 GLN 59 - HB2 PRO 358 2.00 9 0.19 0.41 + ++*+ + +++ VdW HB2 GLN 59 - CB ALA 395 2.60 9 0.20 0.43 + ++ * + ++ + + VdW HB3 GLN 59 - CE1 PHE 392 2.60 8 0.15 0.37 + + *++++ + VdW HB3 GLN 59 - CZ PHE 392 2.60 19 0.49 0.93 ++ ++++++++++*++++++ VdW HB3 GLN 59 - CE2 PHE 392 2.60 9 0.16 0.48 ++ +++ + + * + VdW CD GLN 59 - HA GLN 359 2.50 14 0.30 0.55 *++ +++ ++++++ + + VdW OE1 GLN 59 - NE2 GLN 359 2.75 8 0.14 0.43 + *+ + + + + + VdW OE1 GLN 59 - CE1 PHE 392 2.90 8 0.16 0.51 + +++ + * + + VdW OE1 GLN 59 - CE2 PHE 392 2.90 7 0.13 0.50 + + ++ +* + VdW NE2 GLN 59 - CA GLN 359 3.05 8 0.19 0.32 + ++ ++ ++ * VdW NE2 GLN 59 - HA GLN 359 2.45 18 0.39 0.62 ++ +++++++++*++++++ VdW NE2 GLN 59 - OE1 GLN 359 2.75 7 0.12 0.47 * ++ + + + + VdW NE2 GLN 59 - O GLN 359 2.75 6 0.14 0.30 + ++ ++ * VdW HE22 GLN 59 - HB2 LEU 362 1.95 7 0.13 0.31 + + + ++ + * VdW C GLN 59 - CZ PHE 392 3.10 20 0.35 0.42 +++++++++++*++++++++ VdW C GLN 59 - HZ PHE 392 2.50 20 0.48 0.57 ++++++++++++++++*+++ VdW O GLN 59 - HE1 PHE 392 2.30 8 0.13 0.30 + + * + + + + + VdW O GLN 59 - CZ PHE 392 2.90 6 0.14 0.26 + + + ++* VdW O GLN 59 - HE2 PHE 392 2.30 6 0.09 0.26 + * ++ + + VdW N GLU 60 - HZ PHE 392 2.45 19 0.32 0.42 +++++++++*+++++++ ++ VdW CA GLU 60 - CB ALA 416 3.20 12 0.21 0.28 +++ * + +++++ + + VdW HA GLU 60 - CA ALA 416 2.60 7 0.17 0.27 + ++ + + *+ VdW HA GLU 60 - CB ALA 416 2.60 20 0.49 0.62 ++++*+++++++++++++++ VdW HG3 GLU 60 - C GLU 60 2.50 10 0.15 0.30 ++ *+ ++ +++ + VdW OE2 GLU 60 - HA ALA 417 2.30 7 0.11 0.30 ++ + + *+ + VdW CB ALA 61 - HE22 GLN 359 2.55 12 0.19 0.38 +++ ++ + ++ + +*+ VdW O ALA 61 - C LEU 62 2.80 16 0.23 0.28 ++++++++++ ++++*+ VdW O ALA 61 - N ALA 63 2.75 15 0.24 0.35 +++ ++++++ ++++*+ VdW O ALA 61 - N LEU 65 2.75 16 0.25 0.39 +++++*+++ ++++ +++ VdW O ALA 61 - H LEU 65 1.80 14 0.23 0.35 ++++*++++++ + ++ VdW H LEU 62 - HE22 GLN 359 1.90 8 0.15 0.38 + * + ++ + + + VdW CD1 LEU 62 - CD1 LEU 362 3.20 11 0.25 0.50 *++ + + +++++ + VdW CD1 LEU 62 - HD11 LEU 362 2.60 7 0.12 0.42 ++ + * ++ + VdW CD1 LEU 62 - HD12 LEU 362 2.60 7 0.11 0.38 *++ ++ + + VdW HD12 LEU 62 - CD1 LEU 362 2.60 6 0.12 0.38 ++ * + + + VdW HD13 LEU 62 - CD1 LEU 362 2.60 8 0.12 0.42 + + + ++++* VdW CB ALA 63 - O GLU 413 2.90 19 0.40 0.58 +++++++++++++++ +*++ VdW CB ALA 63 - CB ALA 416 3.20 20 0.30 0.39 +++++++*++++++++++++ VdW CB ALA 63 - HB1 ALA 416 2.60 10 0.17 0.41 + ++ +++* +++ VdW CB ALA 63 - HB3 ALA 416 2.60 6 0.10 0.35 ++ *+ + + VdW HB1 ALA 63 - CB ALA 416 2.60 7 0.12 0.38 * + ++ + ++ VdW HB2 ALA 63 - CB ALA 416 2.60 6 0.12 0.39 + +* ++ + VdW H GLN 64 - CG GLN 64 2.55 19 0.27 0.33 +++++*+++++++++ ++++ VdW O GLN 64 - N LEU 68 2.75 6 0.14 0.39 ++ ++ * + VdW O GLN 64 - HB2 LEU 68 2.30 6 0.10 0.35 ++ + * + + VdW CD1 LEU 65 - HG3 GLN 91 2.60 8 0.16 0.37 ++ ++ + +* + VdW O LEU 65 - SG CYS 69 3.10 14 0.31 0.52 + ++ + + ++++++++* VdW HA ARG 66 - SG CYS 69 2.80 6 0.09 0.32 + * ++ + + VdW CG GLU 67 - C GLU 67 2.90 19 0.21 0.24 +++ +*++++++++++++++ VdW HA LEU 68 - CD1 LEU 68 2.60 8 0.14 0.44 + *+++++ + VdW SG CYS 69 - HB2 LEU 87 2.80 10 0.19 0.57 + ++ + + +++ * + VdW CG TRP 72 - C TRP 72 2.90 17 0.22 0.25 ++*++ ++++++++ ++++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.43 0.55 ++++++++++++++++++*+ VdW HA ARG 74 - CD PRO 75 2.60 19 0.29 0.31 +*+++++++++++++ ++++ VdW C ARG 74 - H GLU 76 2.45 19 0.31 0.38 ++++++++++++*++++++ VdW O LYS 80 - HB2 LEU 84 2.30 8 0.13 0.28 ++ * +++ + + VdW HA LEU 84 - CD2 LEU 87 2.60 7 0.14 0.28 ++ ++ * + + VdW HA GLU 85 - CG1 VAL 88 2.60 11 0.19 0.42 * ++++++++ + + VdW HB2 LEU 89 - CA SER 111 2.60 6 0.12 0.40 +++ + + * VdW HB2 LEU 89 - HA SER 111 2.00 15 0.30 0.54 ++++++*+++ + ++++ VdW CG LEU 89 - N GLU 90 3.05 10 0.17 0.33 ++ +++ + +*+ + VdW HG LEU 89 - N GLU 90 2.45 10 0.14 0.38 ++ +++ + *++ + VdW CD1 LEU 89 - C LEU 89 3.10 9 0.21 0.51 ++ *++ + ++ + VdW CD1 LEU 89 - N GLU 90 3.05 12 0.23 0.35 +*+ + + + ++++ + + VdW CD1 LEU 89 - N SER 111 3.05 8 0.10 0.29 ++ *++ + + + VdW CD2 LEU 89 - C LEU 89 3.10 10 0.26 0.65 +++ + * ++++ + VdW CD2 LEU 89 - N SER 111 3.05 6 0.07 0.30 + + ++ * + VdW CD GLN 91 - C GLN 91 3.00 17 0.27 0.44 * +++++++++++++ +++ VdW CD GLN 91 - O GLN 91 2.80 16 0.25 0.37 + ++++++++++ +*+ ++ VdW NE2 GLN 91 - C GLN 91 2.95 13 0.22 0.44 ++ + *++++++ +++ VdW NE2 GLN 91 - O GLN 91 2.75 13 0.26 0.44 ++ + *++++++ +++ VdW CG PHE 92 - HG2 GLN 359 2.60 9 0.15 0.32 ++ + + *+ + ++ VdW CD1 PHE 92 - C PHE 92 3.10 7 0.17 0.52 +++* + + + VdW CD1 PHE 92 - HG2 GLN 359 2.60 9 0.17 0.49 * + ++ + ++ + + VdW HD1 PHE 92 - C PHE 92 2.50 7 0.21 0.64 *+++ + + + VdW HD1 PHE 92 - N LEU 93 2.45 7 0.09 0.35 +++* + + + VdW CE1 PHE 92 - HA ALA 116 2.60 6 0.09 0.29 ++++ * + VdW CE1 PHE 92 - CG GLN 359 3.20 8 0.19 0.46 + ++ + + + *+ VdW CE1 PHE 92 - HG2 GLN 359 2.60 7 0.14 0.45 + + ++ + + * VdW CE1 PHE 92 - O GLN 359 2.90 8 0.14 0.29 + + ++ + * + + VdW HE1 PHE 92 - O GLN 359 2.30 6 0.14 0.32 + ++ + + * VdW CZ PHE 92 - CA ALA 116 3.20 20 0.27 0.34 +++++++++*++++++++++ VdW CZ PHE 92 - HA ALA 116 2.60 19 0.32 0.41 ++++++++++++++++* ++ VdW CZ PHE 92 - CB ALA 116 3.20 20 0.40 0.48 +++++++++++++++++*++ VdW CZ PHE 92 - HB1 ALA 116 2.60 7 0.20 0.68 ++ + *+++ VdW CZ PHE 92 - HB2 ALA 116 2.60 8 0.24 0.64 + ++* + + ++ VdW CZ PHE 92 - CB GLN 359 3.20 20 0.31 0.42 ++++++++*+++++++++++ VdW CZ PHE 92 - HB3 GLN 359 2.60 18 0.39 0.66 +++ +*++++++++++ +++ VdW CZ PHE 92 - CG GLN 359 3.20 8 0.17 0.33 + ++ ++ + *+ VdW CZ PHE 92 - C GLN 359 3.10 20 0.38 0.44 ++++++++++++*+++++++ VdW CZ PHE 92 - O GLN 359 2.90 9 0.18 0.28 +++ + ++ +* + VdW HZ PHE 92 - HB1 ALA 116 2.00 7 0.16 0.59 *+ + ++++ VdW HZ PHE 92 - HB2 ALA 116 2.00 8 0.17 0.53 + ++* + + ++ VdW HZ PHE 92 - C GLN 359 2.50 20 0.50 0.59 ++++++*+++++++++++++ VdW HZ PHE 92 - O GLN 359 2.30 6 0.13 0.29 ++ + ++ * VdW HZ PHE 92 - N GLU 360 2.45 20 0.34 0.43 ++++++++++*+++++++++ VdW CE2 PHE 92 - HA ALA 116 2.60 9 0.15 0.30 ++ *+ + + ++ + VdW CE2 PHE 92 - HB3 GLN 359 2.60 7 0.15 0.44 * ++ ++ + + VdW CE2 PHE 92 - O GLN 359 2.90 7 0.09 0.28 +*++ + + + VdW HE2 PHE 92 - O GLN 359 2.30 7 0.10 0.38 ++++ * + + VdW CD2 PHE 92 - C PHE 92 3.10 13 0.32 0.54 *+ ++ ++ ++++++ + VdW CD2 PHE 92 - O PHE 92 2.90 9 0.14 0.27 ++ ++ + + ++ * VdW CD2 PHE 92 - HG2 GLN 359 2.60 6 0.13 0.45 * + ++ + + VdW HD2 PHE 92 - C PHE 92 2.50 13 0.39 0.66 +* ++ ++ ++++++ + VdW HD2 PHE 92 - O PHE 92 2.30 10 0.16 0.31 +* + ++ + +++ + VdW HD2 PHE 92 - N LEU 93 2.45 11 0.17 0.37 *+ ++ ++ ++ + + + VdW C PHE 92 - N GLY 94 2.95 7 0.19 0.24 ++ * ++ ++ VdW O PHE 92 - C LEU 93 2.80 7 0.19 0.25 ++ + * ++ + VdW O PHE 92 - N GLY 94 2.75 12 0.22 0.35 ++ + + *+++++ ++ VdW O PHE 92 - N ALA 95 2.75 19 0.26 0.33 ++*+++ +++++++++++++ VdW CA LEU 93 - CD1 LEU 93 3.00 11 0.14 0.27 ++ + + * ++++ ++ VdW HA LEU 93 - CD1 LEU 93 2.60 11 0.18 0.36 *+ + + + ++++ ++ VdW C LEU 93 - H ALA 95 2.45 20 0.30 0.36 ++++++++++*+++++++++ VdW HA2 GLY 94 - CD GLN 101 2.50 7 0.16 0.26 * + + ++ + + VdW C GLY 94 - H LEU 96 2.45 11 0.28 0.50 ++ ++ *++ ++ + + VdW CB ALA 95 - CB GLN 359 3.20 16 0.28 0.44 + ++++++*++++++ ++ VdW CB ALA 95 - HB2 GLN 359 2.60 8 0.16 0.37 + +* + + + + + VdW HB1 ALA 95 - CB GLN 359 2.60 9 0.15 0.41 + + + *++ +++ VdW HB3 ALA 95 - CB GLN 359 2.60 8 0.14 0.43 + *++ + +++ VdW C ALA 95 - CG LEU 96 3.10 7 0.09 0.30 + ++ ++ * + VdW C ALA 95 - HG LEU 96 2.50 7 0.16 0.49 + *+ ++ + + VdW C ALA 95 - CD1 LEU 96 3.10 12 0.15 0.30 +++ +++ * ++ + + + VdW N LEU 96 - HG LEU 96 2.45 7 0.11 0.32 + *+ ++ + + VdW N LEU 96 - CD2 LEU 96 3.05 12 0.27 0.46 +++ *++ + ++ + + + VdW CB LEU 96 - CD PRO 97 3.20 8 0.18 0.25 + ++++ * + + VdW CB LEU 96 - HD2 PRO 97 2.60 17 0.26 0.34 +++++++ * ++++++ +++ VdW HB2 LEU 96 - HB ILE 100 2.00 13 0.23 0.32 +++++++ * ++ + + + VdW HB3 LEU 96 - HD2 PRO 97 2.00 12 0.21 0.30 +++*+++ + + + + + VdW CB PRO 97 - CD PRO 98 3.20 20 0.25 0.28 +++++++++++++++++++* VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.34 0.38 +++++++++++++++++++* VdW HB2 PRO 97 - CD PRO 98 2.60 20 0.26 0.32 +++++++++++++++++++* VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.48 0.54 +++++++++++++++++++* VdW HG2 PRO 97 - CG GLU 99 2.60 6 0.11 0.26 + ++ + * + VdW CD1 ILE 100 - O GLU 354 2.90 6 0.19 0.33 + ++* ++ VdW CD1 ILE 100 - HA ALA 355 2.60 19 0.29 0.38 ++++++++ ++++++*++++ VdW HA GLN 101 - CG1 VAL 104 2.60 10 0.15 0.42 ++ + + + +++*+ VdW CG1 VAL 104 - C VAL 104 2.90 6 0.09 0.33 +++ +* + VdW HD3 PRO 109 - CD1 LEU 118 2.60 10 0.19 0.32 *+ + + + + + +++ VdW O GLU 113 - CB ALA 363 2.90 20 0.37 0.51 +++*++++++++++++++++ VdW CB ALA 116 - CA GLU 360 3.20 13 0.20 0.28 +++ + +++*++++ + VdW CB ALA 116 - HA GLU 360 2.60 20 0.50 0.62 +++++++++*++++++++++ VdW CB ALA 116 - CB ALA 363 3.20 17 0.30 0.41 +++ +*+++++++++ +++ VdW CB ALA 116 - HB1 ALA 363 2.60 7 0.14 0.42 ++ ++* + + VdW CB ALA 116 - HB2 ALA 363 2.60 7 0.16 0.41 * +++ + ++ VdW HB1 ALA 116 - CB ALA 363 2.60 8 0.17 0.47 + +++ + + *+ VdW HB1 ALA 116 - HB2 ALA 363 2.00 7 0.12 0.38 + +++ ++* VdW HB3 ALA 116 - CB ALA 363 2.60 6 0.10 0.36 ++ ++*+ VdW O ALA 116 - CG1 VAL 119 2.90 7 0.10 0.32 + +++ +* + VdW O ALA 116 - HG2 GLU 360 2.30 6 0.16 0.55 + + + * + + VdW HB VAL 119 - HB2 GLU 360 2.00 6 0.12 0.33 + ++ + * + VdW O VAL 119 - HG LEU 122 2.30 9 0.16 0.32 + + *+++++ + VdW CB ASP 120 - HG3 GLU 360 2.60 6 0.10 0.35 * + + + + + VdW HB2 ASP 120 - HG2 GLU 360 2.00 6 0.10 0.31 + + + +* + VdW CG PHE 347 - C PHE 347 2.90 12 0.20 0.24 +++++ ++ + +*++ VdW CZ PHE 347 - HB3 LEU 387 2.60 6 0.16 0.24 + + * + ++ VdW CZ PHE 347 - HB2 GLN 391 2.60 6 0.16 0.33 + ++ *++ VdW HA ARG 348 - HG2 GLN 391 2.00 7 0.12 0.32 + + + +*++ VdW HA ARG 348 - OE1 GLN 391 2.30 20 0.29 0.40 +++++++*++++++++++++ VdW CD1 PHE 350 - CB ALA 361 3.20 7 0.12 0.36 + *++ + + + VdW HZ PHE 350 - HB3 GLU 360 2.00 8 0.22 0.56 + + * +++ + + VdW HZ PHE 350 - CG GLU 360 2.60 13 0.22 0.40 ++ + +++ *+++ + + + VdW CD2 PHE 350 - CB ALA 361 3.20 10 0.15 0.32 ++ ++ +++* ++ VdW HB2 TYR 352 - N PRO 358 2.45 14 0.22 0.30 ++++ ++++ +++ + *+ VdW HB2 TYR 352 - CA PRO 358 2.60 19 0.31 0.42 +++++++++++++++++ *+ VdW HB2 TYR 352 - HA PRO 358 2.00 15 0.25 0.37 ++++ +*++ ++++ + ++ VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 +++++++++++++++++*++ VdW CG TYR 352 - HD3 PRO 358 2.60 19 0.39 0.49 ++++++++*++++++++ ++ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.13 0.40 * ++ ++ ++ + VdW CD1 TYR 352 - CA GLY 357 3.20 8 0.11 0.46 + ++ ++ +* + VdW CD1 TYR 352 - HA2 GLY 357 2.60 8 0.18 0.53 + *+ ++ ++ + VdW CD1 TYR 352 - CD PRO 358 3.20 7 0.10 0.31 + +* ++ + + VdW CD1 TYR 352 - HD3 PRO 358 2.60 8 0.23 0.59 + +* ++ ++ + VdW CD1 TYR 352 - O ALA 395 2.90 6 0.10 0.44 ++ + ++ * VdW HD1 TYR 352 - CA GLY 357 2.60 8 0.15 0.44 + ++ ++ +* + VdW HD1 TYR 352 - HA2 GLY 357 2.00 6 0.10 0.40 + * ++ + + VdW HD1 TYR 352 - HA LEU 396 2.00 7 0.12 0.31 + ++ + + * + VdW CE2 TYR 352 - HD3 PRO 358 2.60 8 0.13 0.34 + ++ + * ++ + VdW CD2 TYR 352 - C TYR 352 3.10 12 0.20 0.40 + +++*++ +++ + + VdW CD2 TYR 352 - CA GLY 357 3.20 12 0.16 0.38 + ++++++ +++ * + VdW CD2 TYR 352 - HA2 GLY 357 2.60 12 0.27 0.60 + ++*+++ +++ + + VdW CD2 TYR 352 - CD PRO 358 3.20 10 0.15 0.33 + ++ ++* +++ + VdW CD2 TYR 352 - HD3 PRO 358 2.60 12 0.32 0.61 + +++++* +++ + + VdW HD2 TYR 352 - CA GLY 357 2.60 12 0.23 0.49 + ++++++ +++ * + VdW HD2 TYR 352 - HA2 GLY 357 2.00 8 0.16 0.43 + +*++ ++ + VdW O GLU 353 - N GLY 357 2.75 7 0.18 0.26 +++ + * + + VdW CG2 THR 356 - C THR 356 2.90 20 0.27 0.31 +*++++++++++++++++++ VdW O THR 356 - O GLY 357 2.60 14 0.24 0.42 + ++ ++ +++++++* + VdW CB PRO 358 - CA ALA 395 3.20 20 0.53 0.62 ++++++++++++++++++*+ VdW CB PRO 358 - HA ALA 395 2.60 19 0.50 0.65 +++*+++++++++++++ ++ VdW CB PRO 358 - CB ALA 395 3.20 20 0.43 0.56 +++++*++++++++++++++ VdW CB PRO 358 - HB2 ALA 395 2.60 6 0.10 0.37 ++ + *++ VdW CB PRO 358 - O ALA 395 2.90 10 0.21 0.41 +++ *+ ++ +++ VdW HB2 PRO 358 - CA ALA 395 2.60 13 0.25 0.48 +*+ ++ + ++ + ++++ VdW HB2 PRO 358 - HA ALA 395 2.00 7 0.13 0.29 ++ + + + * + VdW HB2 PRO 358 - CB ALA 395 2.60 20 0.58 0.84 +++++++++++++++++*++ VdW HB2 PRO 358 - HB2 ALA 395 2.00 6 0.11 0.46 + + + *++ VdW HB2 PRO 358 - HB3 ALA 395 2.00 7 0.14 0.43 ++ + + + + * VdW HB3 PRO 358 - CA ALA 395 2.60 19 0.47 0.59 +++++++++++++++*+ ++ VdW HB3 PRO 358 - HA ALA 395 2.00 19 0.37 0.53 +++++++++++++*+++ ++ VdW HB3 PRO 358 - C ALA 395 2.50 20 0.39 0.60 +++++++++++++++++*++ VdW HB3 PRO 358 - O ALA 395 2.30 16 0.37 0.63 ++++++*+ ++++ ++++ VdW O PRO 358 - N ALA 361 2.75 11 0.20 0.31 +++ + +*++ + ++ VdW O PRO 358 - H ALA 361 1.80 10 0.18 0.30 +++ ++*+ + ++ VdW O PRO 358 - HB3 ALA 361 2.30 9 0.16 0.41 ++* + ++ ++ + VdW CA GLN 359 - OE1 GLN 359 2.90 8 0.12 0.37 + +* + + + + + VdW HA GLN 359 - CD GLN 359 2.50 8 0.16 0.40 + ++ + + + * + VdW HA GLN 359 - OE1 GLN 359 2.30 8 0.16 0.50 + +* + + + + + VdW HG3 GLU 360 - C GLU 360 2.50 11 0.14 0.35 + + ++ ++++ + + * VdW CD GLU 360 - O GLU 360 2.80 6 0.12 0.43 + + + * + + VdW C ALA 361 - N ALA 363 2.95 10 0.20 0.31 +++ ++ +* ++ + VdW C ALA 361 - HG LEU 365 2.50 13 0.28 0.60 ++++ +++ ++ +* ++ VdW O ALA 361 - C LEU 362 2.80 18 0.26 0.35 +++++++++ +++++*+++ VdW O ALA 361 - N ALA 363 2.75 14 0.31 0.51 ++++ ++ ++++*+ ++ VdW O ALA 361 - N GLN 364 2.75 13 0.23 0.42 ++++ +++ *+ ++ ++ VdW O ALA 361 - N LEU 365 2.75 9 0.18 0.31 ++ + +++ + *+ VdW O ALA 361 - HG LEU 365 2.30 11 0.20 0.42 + ++ +*+ ++ ++ + VdW N LEU 362 - HG LEU 365 2.45 8 0.14 0.39 ++ + + +* ++ VdW CA LEU 362 - HG LEU 365 2.60 7 0.15 0.35 + +++ *+ + VdW H GLN 364 - CG GLN 364 2.55 18 0.25 0.31 ++ ++++++++*+++++++ VdW O GLN 364 - HB2 LEU 368 2.30 7 0.11 0.39 + +* + ++ + VdW O LEU 365 - SG CYS 369 3.10 15 0.30 0.49 ++ ++*++++++ ++ ++ VdW HA ARG 366 - SG CYS 369 2.80 7 0.14 0.38 + + + +*++ VdW CG GLU 367 - C GLU 367 2.90 16 0.19 0.24 +* ++ ++++++++++++ VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.09 0.46 ++ + + * + VdW SG CYS 369 - HB2 LEU 387 2.80 6 0.14 0.45 + + + + +* VdW CG TRP 372 - C TRP 372 2.90 15 0.21 0.25 ++ ++++++++++ ++* VdW CD1 TRP 372 - C TRP 372 3.10 20 0.43 0.57 +++++++++*++++++++++ VdW HD1 TRP 372 - O TRP 372 2.30 6 0.17 0.29 + + * ++ + VdW HA ARG 374 - CD PRO 375 2.60 20 0.30 0.31 ++++++*+++++++++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.33 0.38 ++++++*+++++++++++++ VdW HG3 GLU 376 - C GLU 376 2.50 9 0.11 0.26 + + + + * ++ ++ VdW HA GLU 385 - CG1 VAL 388 2.60 7 0.12 0.37 + * + + ++ + VdW HB2 LEU 389 - CA SER 411 2.60 10 0.20 0.50 + ++ + + *+++ + VdW HB2 LEU 389 - HA SER 411 2.00 11 0.23 0.54 ++ + +++ + +*++ VdW HB2 LEU 389 - C SER 411 2.50 6 0.12 0.44 * ++ + ++ VdW CG LEU 389 - N GLU 390 3.05 9 0.15 0.32 ++ + + + + +*+ VdW HG LEU 389 - N GLU 390 2.45 9 0.14 0.38 ++ * + + + +++ VdW CD1 LEU 389 - C LEU 389 3.10 8 0.15 0.50 + + + + + ++* VdW CD1 LEU 389 - N GLU 390 3.05 10 0.18 0.36 +++ + + + + * ++ VdW CD2 LEU 389 - C LEU 389 3.10 11 0.29 0.64 ++ ++ + * + ++++ VdW CD GLN 391 - C GLN 391 3.00 18 0.27 0.47 ++++++++ ++++++*+ ++ VdW CD GLN 391 - O GLN 391 2.80 15 0.27 0.42 +*+++ + + + +++++++ VdW NE2 GLN 391 - C GLN 391 2.95 9 0.16 0.46 + + + ++++*+ VdW NE2 GLN 391 - O GLN 391 2.75 11 0.23 0.41 + + + + ++++*+ + VdW O GLN 391 - C PHE 392 2.80 6 0.18 0.24 ++ * + + + VdW CD1 PHE 392 - C PHE 392 3.10 9 0.22 0.54 + + + ++ ++ *+ VdW CD1 PHE 392 - O PHE 392 2.90 8 0.11 0.29 + + + *+ ++ + VdW HD1 PHE 392 - C PHE 392 2.50 9 0.27 0.65 + + + ++ *+ ++ VdW HD1 PHE 392 - O PHE 392 2.30 7 0.12 0.35 + + + ++ * + VdW HD1 PHE 392 - N LEU 393 2.45 8 0.11 0.38 + + ++ ++ *+ VdW CZ PHE 392 - CA ALA 416 3.20 19 0.26 0.38 ++++++++++++*+++++ + VdW CZ PHE 392 - HA ALA 416 2.60 20 0.33 0.52 ++++++++++++*+++++++ VdW CZ PHE 392 - CB ALA 416 3.20 20 0.38 0.44 ++++++++++++++++*+++ VdW CZ PHE 392 - HB1 ALA 416 2.60 6 0.17 0.65 ++ ++ * + VdW CZ PHE 392 - HB2 ALA 416 2.60 10 0.27 0.63 + ++ ++++ *++ VdW HZ PHE 392 - HB1 ALA 416 2.00 6 0.13 0.45 +* ++ + + VdW HZ PHE 392 - HB2 ALA 416 2.00 10 0.21 0.57 + ++ ++++ *++ VdW CD2 PHE 392 - C PHE 392 3.10 11 0.27 0.51 +++ *++ + + + + + VdW CD2 PHE 392 - O PHE 392 2.90 7 0.12 0.27 +* + + + + + VdW HD2 PHE 392 - C PHE 392 2.50 11 0.32 0.64 ++* +++ + + + + + VdW HD2 PHE 392 - N LEU 393 2.45 10 0.15 0.36 +++ ++ + + * + + VdW O PHE 392 - C LEU 393 2.80 6 0.18 0.23 ++ * + + + VdW O PHE 392 - N GLY 394 2.75 8 0.18 0.26 *++ + + ++ + VdW O PHE 392 - N ALA 395 2.75 19 0.25 0.30 +++++++*+++++++++ ++ VdW CA LEU 393 - CD1 LEU 393 3.00 15 0.19 0.27 ++++ +++ * ++ +++ ++ VdW HA LEU 393 - CD1 LEU 393 2.60 15 0.24 0.39 ++++ +++ + ++ +*+ ++ VdW C LEU 393 - H ALA 395 2.45 20 0.33 0.37 +++++*++++++++++++++ VdW HA2 GLY 394 - CD GLN 401 2.50 8 0.17 0.31 *+ + + +++ + VdW C GLY 394 - H LEU 396 2.45 14 0.34 0.49 ++++ +++++ +* + ++ VdW C ALA 395 - CG LEU 396 3.10 11 0.14 0.28 ++* + +++ ++ ++ VdW C ALA 395 - HG LEU 396 2.50 11 0.24 0.47 +++ + +++ *+ ++ VdW C ALA 395 - CD1 LEU 396 3.10 8 0.10 0.29 ++ * ++ +++ VdW O ALA 395 - CD2 LEU 396 2.90 6 0.09 0.31 +* + + + + VdW N LEU 396 - HG LEU 396 2.45 11 0.17 0.33 +++ + +++ +* ++ VdW N LEU 396 - CD2 LEU 396 3.05 8 0.19 0.50 ++ * ++ +++ VdW CB LEU 396 - CD PRO 397 3.20 8 0.17 0.26 + + ++ +*++ VdW CB LEU 396 - HD2 PRO 397 2.60 16 0.25 0.35 ++ ++++ ++++ +*++++ VdW HB2 LEU 396 - HB ILE 400 2.00 9 0.21 0.35 ++ * ++ ++++ VdW HB3 LEU 396 - HD2 PRO 397 2.00 11 0.21 0.31 +++ + ++ +++*+ VdW CB PRO 397 - CD PRO 398 3.20 20 0.25 0.30 ++++++*+++++++++++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.34 0.40 ++++++*+++++++++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 20 0.26 0.35 ++++++*+++++++++++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.48 0.57 ++++++*+++++++++++++ VdW HA GLN 401 - CG1 VAL 404 2.60 9 0.15 0.39 ++ + + + +* ++ VdW HD3 PRO 409 - CD1 LEU 418 2.60 6 0.15 0.32 + ++ + * + VdW O VAL 419 - HG LEU 422 2.30 13 0.19 0.28 +++ *+ + + +++ + ++ Angle PSI ARG 48 -34.00 -4.00 11 4.96 12.78 + + + ++ +*+++ + Angle PHI CYS 49 -106.00 -66.00 20 10.73 14.85 ++++*+++++++++++++++ Angle PSI CYS 49 -51.00 -5.00 20 30.77 34.89 +++++++++++++++++++* Angle PHI PHE 50 -112.00 -54.00 20 15.36 19.56 ++++++*+++++++++++++ Angle PSI PHE 50 120.00 140.00 20 8.93 11.55 +++++*++++++++++++++ Angle PHI HIS 51 -128.00 -90.00 11 5.31 7.25 + ++*+ + ++ ++ + Angle PSI HIS 51 99.00 143.00 20 14.46 18.50 +++++++++++++++++++* Angle PHI ALA 55 -80.00 -58.00 20 28.65 32.63 +++*++++++++++++++++ Angle PHI THR 56 -112.00 -82.00 13 5.71 13.58 ++* ++ +++ ++++ + Angle PSI THR 56 -15.00 15.00 20 20.25 35.96 +++++++++++++++*++++ Angle PSI PRO 58 -41.00 -31.00 10 4.30 11.07 +++ ++ + + ++* Angle PHI GLN 59 -77.00 -57.00 20 14.37 19.52 ++++++*+++++++++++++ Angle PHI GLU 60 -75.00 -55.00 9 5.75 9.48 + ++ + +* +++ Angle PSI GLU 60 -54.00 -34.00 20 11.18 16.02 +++++++*++++++++++++ Angle PSI ALA 61 -53.00 -33.00 10 5.25 12.42 + + + ++++ *+ + Angle PHI LEU 62 -71.00 -51.00 20 14.87 19.10 ++++++++++++++++++*+ Angle PSI ALA 63 -48.00 -28.00 16 8.73 18.46 +++ *+++++++++ +++ Angle PSI GLN 64 -51.00 -31.00 15 9.07 18.96 *++++++++ +++ ++ + Angle PSI LEU 65 -52.00 -32.00 16 9.75 16.41 ++++ * +++++++++ ++ Angle PSI ARG 66 -50.00 -30.00 15 7.27 12.98 +++++ + ++++*++ ++ Angle PSI SER 79 155.00 175.00 14 5.78 9.36 +++ ++* ++ ++ ++ + + Angle PHI LYS 80 -69.00 -49.00 19 7.85 10.03 ++++++++++ +++++++*+ Angle PSI LYS 80 -48.00 -28.00 10 5.15 8.92 ++ + *++ ++ ++ Angle PSI GLU 81 -50.00 -30.00 9 4.15 10.07 *+ ++++ + ++ Angle PHI GLN 82 -76.00 -56.00 9 4.34 14.51 ++ ++++ + *+ Angle PSI MET 83 -52.00 -32.00 9 3.61 12.00 ++ +++ + + *+ Angle PSI GLU 85 -54.00 -34.00 6 4.16 12.80 ++ + + + * Angle PHI LEU 87 -77.00 -57.00 19 8.41 13.00 +++++++++++++*+ ++++ Angle PSI LEU 87 -51.00 -31.00 13 6.86 12.46 +++*++++++ + + + Angle PHI VAL 88 -78.00 -58.00 20 10.81 17.01 *+++++++++++++++++++ Angle PSI VAL 88 -55.00 -35.00 19 8.28 12.88 +++++++++++++++++*+ Angle PSI LEU 89 -57.00 -37.00 10 6.00 15.96 +++ + + ++*+ + Angle PHI GLU 90 -73.00 -53.00 9 5.28 18.80 + ++ +*+ + + + Angle PHI GLN 91 -74.00 -54.00 9 3.86 9.14 + ++ + * + + + + Angle PHI PHE 92 -74.00 -54.00 20 14.05 17.61 ++++++++++*+++++++++ Angle PHI LEU 93 -72.00 -52.00 20 12.69 17.48 +++++++++*++++++++++ Angle PSI GLY 94 -46.00 -8.00 20 14.40 18.33 ++++++++*+++++++++++ Angle PSI PRO 97 132.20 154.90 20 28.34 30.16 +++++++++++++++++++* Angle PSI PRO 98 -46.00 -28.00 20 13.13 15.93 ++++++++*+++++++++++ Angle PHI ILE 100 -73.00 -53.00 20 9.31 11.18 ++++++++++++++++++*+ Angle PHI ALA 102 -72.00 -52.00 20 7.28 10.47 +++++++++++++++++++* Angle PHI ARG 103 -73.00 -53.00 20 9.24 12.63 +++++++++++++++++++* Angle PSI ARG 103 -53.00 -33.00 7 3.38 8.20 +* + ++ ++ Angle PSI GLN 105 -52.00 -30.00 10 4.32 8.19 +++++ + + ++* Angle PSI GLY 106 -40.00 -6.00 16 6.81 9.56 ++++++ *++ +++++ ++ Angle PHI GLY 110 58.00 92.00 6 5.42 21.58 +++ * + + Angle PHI GLU 113 -75.00 -55.00 17 6.97 11.65 +++++ ++++* +++++++ Angle PSI GLU 113 -51.00 -31.00 8 4.18 10.50 +++ +++ *+ Angle PHI GLU 114 -74.00 -54.00 17 11.01 20.87 ++++++ +++++++* +++ Angle PSI ALA 117 -50.00 -30.00 18 9.00 18.11 ++++ ++++++++ ++*+++ Angle PSI LEU 118 -48.00 -28.00 8 3.30 10.23 +* +++ ++ + Angle PHI VAL 119 -74.00 -54.00 9 5.35 8.94 + ++ + + ++ *+ Angle PHI ASP 120 -69.00 -49.00 20 16.57 21.88 ++++++++++++++++++*+ Angle PSI LEU 345 -52.00 -32.00 10 4.96 9.54 + ++ ++ +*++ + Angle PSI ARG 348 -34.00 -4.00 11 5.87 12.54 ++ + *++ + +++ + Angle PHI CYS 349 -106.00 -66.00 20 10.02 13.81 +++++++++++++++++++* Angle PSI CYS 349 -51.00 -5.00 20 30.83 38.01 +++++++++++++++++*++ Angle PHI PHE 350 -112.00 -54.00 20 13.67 16.26 +++++++++++++++++*++ Angle PSI PHE 350 120.00 140.00 20 8.63 11.10 *+++++++++++++++++++ Angle PSI HIS 351 99.00 143.00 20 14.23 17.85 ++*+++++++++++++++++ Angle PHI ALA 355 -80.00 -58.00 20 29.54 32.72 +++++++++++++++*++++ Angle PHI THR 356 -112.00 -82.00 18 7.60 10.77 ++ +++*+ +++++++++++ Angle PSI THR 356 -15.00 15.00 20 19.94 32.88 ++++++++*+++++++++++ Angle PHI GLN 359 -77.00 -57.00 20 13.17 17.89 ++++++++*+++++++++++ Angle PHI GLU 360 -75.00 -55.00 10 5.38 9.79 * + + + ++++++ Angle PSI GLU 360 -54.00 -34.00 20 11.38 17.23 +*++++++++++++++++++ Angle PSI ALA 361 -53.00 -33.00 17 8.38 14.11 +++++++*+ ++++ + +++ Angle PHI LEU 362 -71.00 -51.00 20 17.80 25.79 ++++++++++++++++*+++ Angle PSI ALA 363 -48.00 -28.00 10 5.81 14.65 + ++++ ++++* Angle PSI GLN 364 -51.00 -31.00 13 8.59 16.33 + + +++++ ++ +*++ Angle PSI LEU 365 -52.00 -32.00 14 8.75 17.14 ++ ++++ *++++++ + Angle PSI ARG 366 -50.00 -30.00 6 4.06 11.59 +* + + ++ Angle PSI SER 379 155.00 175.00 13 6.01 10.27 +++ ++ +++++ + * + Angle PHI LYS 380 -69.00 -49.00 20 7.52 9.59 +++*++++++++++++++++ Angle PSI LYS 380 -48.00 -28.00 12 6.54 13.12 ++++ + + + +*+ ++ Angle PSI GLU 381 -50.00 -30.00 14 5.95 12.22 ++++ + +++ +*+ +++ Angle PHI GLN 382 -76.00 -56.00 14 6.44 15.71 ++++ + +++ +*+ +++ Angle PSI MET 383 -52.00 -32.00 10 4.34 8.28 +++ +* + + +++ Angle PHI LEU 387 -77.00 -57.00 18 8.99 12.94 ++ ++++*+++++++++++ Angle PSI LEU 387 -51.00 -31.00 9 5.24 13.09 + + + + + +*++ Angle PHI VAL 388 -78.00 -58.00 20 10.99 16.79 +++++++++++++++*++++ Angle PSI VAL 388 -55.00 -35.00 15 8.39 14.93 ++++ ++*++ ++ ++++ Angle PSI LEU 389 -57.00 -37.00 12 6.50 15.46 *+ ++ + + + ++++ + Angle PHI GLU 390 -73.00 -53.00 7 4.79 18.67 + + ++ *++ Angle PHI GLN 391 -74.00 -54.00 6 3.73 11.00 + * + ++ + Angle PHI PHE 392 -74.00 -54.00 20 14.46 18.45 +++*++++++++++++++++ Angle PHI LEU 393 -72.00 -52.00 20 12.39 15.79 +++++++*++++++++++++ Angle PSI GLY 394 -46.00 -8.00 20 13.13 18.28 +++++++++++++++*++++ Angle PSI PRO 397 132.20 154.90 20 28.36 30.99 ++++++*+++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 13.14 16.58 ++++++*+++++++++++++ Angle PHI ILE 400 -73.00 -53.00 19 9.12 11.30 +++++++++++++*+++ ++ Angle PHI ALA 402 -72.00 -52.00 19 7.43 11.35 +++*++++++++++++ +++ Angle PHI ARG 403 -73.00 -53.00 18 9.26 17.75 ++++++++ ++++ +++*++ Angle PSI ARG 403 -53.00 -33.00 8 3.08 7.92 *+ + + + ++ + Angle PSI GLN 405 -52.00 -30.00 10 5.12 8.92 + + + + + * ++ ++ Angle PSI GLY 406 -40.00 -6.00 15 5.63 8.80 + +* ++ ++++ + +++++ Angle PHI GLY 410 58.00 92.00 10 6.31 20.49 ++ + + *+++++ Angle PHI GLU 413 -75.00 -55.00 18 7.68 11.22 ++++ ++++++++++ +*++ Angle PSI GLU 413 -51.00 -31.00 12 6.19 12.65 + +++++ + ++ +*+ Angle PHI GLU 414 -74.00 -54.00 20 14.06 25.71 +++*++++++++++++++++ Angle PSI ALA 417 -50.00 -30.00 17 8.10 18.88 ++ ++++++ ++*++++++ Angle PHI VAL 419 -74.00 -54.00 7 4.89 10.05 + ++++ + * Angle PHI ASP 420 -69.00 -49.00 20 16.75 19.66 +++*++++++++++++++++ 435 violated distance constraints. 103 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.32 +/- 0.09 A (0.21..0.53 A; 20 structures) Average heavy atom RMSD to mean : 0.83 +/- 0.09 A (0.70..1.05 A; 20 structures)