Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 131.21 205 0.0722 3.37 148 101.0 0.78 74 6.2097 26.55 2 131.22 193 0.0709 3.33 163 101.1 0.76 70 6.2885 26.84 3 131.66 191 0.0714 3.33 162 99.4 0.75 61 6.2090 27.21 4 132.03 190 0.0708 3.35 158 101.5 0.76 68 6.2977 27.27 5 132.43 204 0.0717 3.34 156 102.3 0.72 65 6.1802 26.99 6 132.80 220 0.0725 3.31 170 102.1 0.76 65 6.1809 27.78 7 133.10 192 0.0715 3.37 164 102.7 0.79 74 6.3472 26.74 8 133.15 205 0.0715 3.35 152 104.0 0.76 76 6.2241 27.08 9 133.20 201 0.0722 3.36 157 101.9 0.77 75 6.2746 26.89 10 133.21 217 0.0715 3.38 152 105.1 0.73 69 6.1901 27.18 11 133.41 200 0.0716 3.32 153 102.2 0.75 68 6.2767 27.36 12 133.70 197 0.0707 3.36 162 106.2 0.74 74 6.3056 27.10 13 133.83 212 0.0717 3.35 173 105.8 0.74 67 6.2804 26.81 14 133.89 198 0.0720 3.34 174 105.6 0.68 73 6.3329 27.98 15 134.16 189 0.0711 3.36 168 104.5 0.74 66 6.2754 27.16 16 134.27 210 0.0723 3.35 152 104.5 0.73 71 6.2710 26.84 17 134.34 210 0.0716 3.37 173 105.5 0.75 69 6.3809 26.77 18 134.36 204 0.0715 3.36 164 103.5 0.77 69 6.1284 27.68 19 134.37 186 0.0713 3.38 170 105.2 0.74 69 6.3047 27.26 20 134.50 190 0.0710 3.32 171 107.2 0.75 76 6.4076 26.94 Ave 133.24 201 0.0716 3.35 162 103.6 0.75 70 6.2683 27.12 +/- 1.03 10 0.0005 0.02 8 2.0 0.02 4 0.0696 0.36 Min 131.21 186 0.0707 3.31 148 99.4 0.68 61 6.1284 26.55 Max 134.50 220 0.0725 3.38 174 107.2 0.79 76 6.4076 27.98 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 44 - HD1 TRP 72 5.50 15 0.11 0.16 +++++ ++ +*+++++ + peak 647 Upper QD PHE 47 - H ARG 70 5.50 14 0.16 0.31 *+++++ +++ ++ ++ + peak 97 Upper QE PHE 47 - QQG VAL 88 3.91 14 0.12 0.20 ++ + *+++++ + + +++ peak 3164 Upper QE PHE 47 - H PHE 92 5.50 20 0.23 0.31 +++++++*++++++++++++ peak 425 Upper HZ PHE 47 - H CYS 69 5.50 20 0.20 0.33 +++++++++*++++++++++ peak 86 Upper HZ PHE 47 - HA CYS 69 5.50 20 0.23 0.32 +++++++*++++++++++++ peak 285 Upper HZ PHE 47 - HB3 LEU 87 4.03 13 0.14 0.33 +++ + + ++ ++++*+ peak 290 Upper HA PHE 50 - HB2 HIS 51 5.50 20 0.17 0.18 ++++++++++++++++*+++ peak 2038 Upper HB3 PHE 50 - QQD LEU 65 4.12 20 0.18 0.23 +++++*++++++++++++++ peak 2359 Upper QD PHE 50 - HA PHE 92 5.47 11 0.11 0.20 ++++ + *+ + ++ + peak 3240 Upper QD PHE 50 - QB ALA 395 3.01 20 3.34 3.37 ++++++++++++++++*+++ peak 8165 Upper QE PHE 50 - QB ALA 95 4.59 20 0.38 0.51 ++++++++++++++++*+++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 1.63 1.66 ++++++*+++++++++++++ peak 8164 Upper HE1 HIS 51 - HB2 GLU 53 4.47 15 0.17 0.33 ++++ * ++++ ++ ++++ peak 259 Upper HE1 HIS 51 - HB3 GLU 53 4.47 7 0.13 0.44 +++ * + ++ peak 260 Upper QB TYR 52 - QB ALA 61 5.15 20 0.16 0.21 +++++++++++++++++*++ peak 1602 Upper QB TYR 52 - HD2 PRO 97 5.50 8 0.09 0.12 + ++* ++++ peak 3382 Upper QD TYR 52 - H THR 56 5.15 20 0.34 0.46 +++++*++++++++++++++ peak 63 Upper QD TYR 52 - QG2 THR 56 4.43 17 0.15 0.21 +*+++ +++++++++ +++ peak 248 Upper QD TYR 52 - QB ALA 95 4.48 19 0.15 0.18 ++++++++++++++*++++ peak 246 Upper QD TYR 52 - HB3 LEU 96 4.15 20 0.18 0.22 ++++++*+++++++++++++ peak 249 Upper QD TYR 52 - QB ALA 395 3.67 20 0.99 1.03 *+++++++++++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 0.55 0.67 +++++++++++++*++++++ peak 8340 Upper QD TYR 52 - QQD LEU 396 3.66 20 0.51 0.58 ++++++*+++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.55 1.62 +++++++++++++++++*++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 16 0.15 0.20 +++++++ ++++ +* +++ peak 2087 Upper QE TYR 52 - HA GLU 54 4.21 17 0.18 0.36 * +++++++ +++++ ++++ peak 2183 Upper QE TYR 52 - H GLY 57 5.05 20 0.38 0.43 *+++++++++++++++++++ peak 400 Upper QE TYR 52 - HB3 LEU 96 3.94 20 0.19 0.26 +++++++++++++*++++++ peak 237 Upper QE TYR 52 - QQD LEU 96 4.12 20 0.20 0.25 *+++++++++++++++++++ peak 240 Upper QE TYR 52 - QD2 LEU 96 5.50 18 0.22 0.30 +++++++ ++++*++++++ peak 240 Upper QE TYR 52 - QB ALA 395 4.32 20 0.92 0.95 +++++*++++++++++++++ peak 8176 Upper QE TYR 52 - QQD LEU 396 3.87 20 0.49 0.57 ++++++*+++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.21 1.33 +++++++++++++++++*++ peak 8114 Upper HB3 GLU 53 - HB THR 56 4.58 6 0.05 0.12 +*+ + ++ peak 2101 Upper HB THR 56 - H GLY 57 3.04 11 0.12 0.23 ++ + +++ ++ *+ + peak 819 Upper HB3 PRO 58 - H LEU 96 4.68 18 0.13 0.18 +++*++++++++++++ ++ peak 8254 Upper HB3 PRO 58 - H GLN 359 5.04 7 0.09 0.12 *+ ++ + + + peak 2176 Upper HG3 PRO 58 - H GLN 59 3.61 20 0.20 0.23 ++*+++++++++++++++++ peak 836 Upper H GLN 59 - HB3 PRO 358 5.04 7 0.08 0.13 + +*++ + + peak 2176 Upper HA GLN 59 - QG GLN 359 3.58 8 0.06 0.18 +++ +++ * + peak 2203 Upper HA GLN 59 - HG2 GLN 359 4.11 9 0.15 0.36 +++ ++++ + * peak 2204 Upper HA GLN 59 - QB ALA 416 4.70 20 0.40 0.46 +++++*++++++++++++++ peak 2197 Upper QB GLN 59 - HA ALA 416 4.00 20 0.24 0.43 +++++++++++++*++++++ peak 3889 Upper QB GLN 59 - QB ALA 416 3.84 20 0.20 0.24 +++++++++*++++++++++ peak 1620 Upper QG GLN 59 - HA GLN 359 3.58 10 0.07 0.16 + ++ ++ * ++++ peak 2203 Upper HG2 GLN 59 - HA GLN 359 4.11 10 0.17 0.36 + ++ *+ + ++++ peak 2204 Upper QG GLN 59 - H LEU 362 5.34 14 0.14 0.23 ++ +* ++ + +++++++ peak 880 Upper QE2 GLN 59 - QB ALA 116 4.52 20 0.52 0.58 ++++++++++++++++++*+ peak 850 Upper QE2 GLN 59 - HA GLU 360 5.34 10 0.15 0.29 + + +++ * +++ + peak 868 Upper HE21 GLN 59 - HA LEU 362 5.36 10 0.14 0.32 + + +++ + +++ * peak 843 Upper QE2 GLN 59 - HA LEU 362 4.72 7 0.06 0.13 * + + + + ++ peak 843 Upper HE22 GLN 59 - HA LEU 362 5.36 10 0.08 0.20 * ++ ++ + ++++ peak 1852 Upper HA GLU 60 - QB ALA 63 3.67 10 0.10 0.29 + + + +++ + *+ + peak 2225 Upper HA GLU 60 - QE2 GLN 359 5.34 11 0.16 0.26 ++ ++ +++ + +*+ peak 868 Upper QB ALA 61 - QD PHE 392 3.23 20 2.17 2.23 +++*++++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 0.87 0.93 ++++++++++++++++*+++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 20 0.61 0.68 +++++++++++++*++++++ peak 884 Upper H LEU 62 - QG GLN 359 5.34 13 0.13 0.20 ++++ *+++++++ + peak 880 Upper HA LEU 62 - QG1 VAL 88 3.24 20 0.31 0.36 +*++++++++++++++++++ peak 8202 Upper HA LEU 62 - HE21 GLN 359 5.36 11 0.16 0.33 ++ *+ +++ + +++ peak 843 Upper HA LEU 62 - HE22 GLN 359 5.36 9 0.07 0.20 +++ *+++ + + peak 1852 Upper QQD LEU 62 - HB3 PRO 112 4.24 20 0.44 0.52 ++++++++++++++++*+++ peak 2265 Upper QQD LEU 62 - QQG VAL 388 2.82 20 0.71 0.77 +++++++++++*++++++++ peak 8207 Upper QQD LEU 62 - HZ PHE 392 3.67 20 0.27 0.31 +++++++++++++++++*++ peak 8306 Upper QQD LEU 62 - H ALA 416 4.19 20 0.73 0.83 *+++++++++++++++++++ peak 2305 Upper QQD LEU 62 - QB ALA 416 3.35 19 0.13 0.15 ++++*++++++++++++++ peak 8301 Upper QD2 LEU 62 - H GLU 413 4.73 20 0.81 0.85 +++++++++++++++++++* peak 2316 Upper HA GLN 64 - HG3 GLU 67 4.69 6 0.09 0.14 ++ + +* + peak 2453 Upper QQD LEU 65 - HB3 PHE 92 4.37 6 0.07 0.26 + * +++ + peak 8286 Upper QD2 LEU 65 - H PHE 92 4.49 7 0.07 0.12 +++ + * + + peak 1171 Upper QD2 LEU 65 - HA PHE 92 4.36 15 0.18 0.26 ++*++ + +++ ++ ++++ peak 3229 Upper HA ARG 66 - QQG VAL 88 3.80 20 0.30 0.36 +++++*++++++++++++++ peak 3844 Upper QB ARG 66 - QQG VAL 88 3.34 20 0.25 0.33 ++++++++++++++*+++++ peak 8231 Upper QG ARG 66 - HG2 GLU 67 5.50 20 0.19 0.21 +++++++++++++++++*++ peak 2456 Upper QG ARG 66 - HG3 GLU 67 5.50 20 0.17 0.21 +++++*++++++++++++++ peak 2459 Upper QG ARG 66 - QG1 VAL 88 5.50 20 0.42 0.48 +*++++++++++++++++++ peak 2412 Upper H GLU 67 - HG2 GLU 67 4.04 20 0.15 0.18 +++++++++++*++++++++ peak 2472 Upper HZ2 TRP 72 - HA LEU 73 5.50 6 0.07 0.14 + + + ++ * peak 1853 Upper HZ2 TRP 72 - QD1 LEU 86 4.94 20 0.21 0.25 +*++++++++++++++++++ peak 3081 Upper HA LYS 80 - HG3 LYS 80 3.75 8 0.12 0.31 + + * + ++ + + peak 730 Upper HG3 MET 83 - QQD LEU 87 5.44 10 0.11 0.24 +++ ++*+ ++ + peak 2961 Upper QB LEU 84 - QD2 LEU 87 4.14 6 0.09 0.30 + + +* ++ peak 3114 Upper HG LEU 84 - H GLU 85 4.14 17 0.14 0.22 + ++*+ ++++++++++++ peak 3021 Upper QQG VAL 88 - QQD LEU 362 2.82 20 0.71 0.77 ++++++++++*+++++++++ peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 5.50 20 0.26 0.38 +++++++*++++++++++++ peak 3788 Upper HE22 GLN 91 - HA ALA 95 5.47 14 0.11 0.20 + +++*++ ++++++ + peak 416 Upper QD PHE 92 - QB ALA 361 3.23 20 2.17 2.23 ++++++++++*+++++++++ peak 8145 Upper QE PHE 92 - QB ALA 95 4.09 12 0.11 0.17 *++ ++ + ++ + +++ peak 1722 Upper QE PHE 92 - QD1 LEU 96 4.52 16 0.14 0.24 ++++++++* ++++ ++ + peak 165 Upper QE PHE 92 - QQD LEU 96 3.78 20 0.21 0.38 ++++++++*+++++++++++ peak 165 Upper QE PHE 92 - QB ALA 361 3.18 20 0.86 0.93 ++++++++++++++++*+++ peak 8146 Upper HZ PHE 92 - HB VAL 119 3.74 16 0.13 0.25 ++++ +++ + ++ *+++++ peak 169 Upper HZ PHE 92 - QQD LEU 362 3.67 20 0.27 0.30 +++++*++++++++++++++ peak 8306 Upper HA LEU 93 - HG LEU 96 4.26 18 0.94 1.10 +++++++ +++++++*+++ peak 3330 Upper HG LEU 93 - QB ALA 115 4.00 6 0.08 0.35 + + +*+ + peak 1684 Upper QQD LEU 93 - QQD LEU 96 3.03 14 0.12 0.31 +++++ ++ + + +*+ ++ peak 3318 Upper HA2 GLY 94 - HB2 LEU 96 5.50 20 0.29 0.39 +++++++++*++++++++++ peak 3340 Upper QB ALA 95 - QD PHE 350 3.01 20 3.35 3.38 +++++++++*++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 1.63 1.66 +++++++++++++*++++++ peak 8164 Upper QB ALA 95 - QD TYR 352 3.67 20 0.99 1.04 *+++++++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 0.92 0.95 +++++++++++++*++++++ peak 8176 Upper H LEU 96 - HA GLN 101 5.50 20 0.32 0.44 *+++++++++++++++++++ peak 3521 Upper HA LEU 96 - H GLN 101 5.50 20 0.22 0.26 +++++*++++++++++++++ peak 3367 Upper HB2 LEU 96 - HA GLN 101 4.42 13 0.10 0.16 +++ ++ + + *+ ++++ peak 3509 Upper HB3 LEU 96 - QD TYR 352 5.50 20 0.55 0.62 +++++++++++++*++++++ peak 8340 Upper HG LEU 96 - HA VAL 119 3.95 20 0.33 1.19 ++++++++*+++++++++++ peak 3944 Upper QQD LEU 96 - QG2 ILE 100 2.71 9 0.09 0.13 + ++ + + *++ + peak 3317 Upper QD1 LEU 96 - HG12 ILE 100 5.50 18 0.14 0.21 +++*+++ +++++++++++ peak 3470 Upper QQD LEU 96 - QQG VAL 104 3.02 10 0.09 0.19 ++*++++ + + + peak 3591 Upper QD1 LEU 96 - H VAL 119 5.50 18 0.27 0.33 ++*++++ +++++++++++ peak 1314 Upper QQD LEU 96 - H VAL 119 4.48 18 0.40 0.51 +++++++ ++++++*++++ peak 1314 Upper QQD LEU 96 - QD TYR 352 3.66 20 0.51 0.61 *+++++++++++++++++++ peak 8183 Upper QQD LEU 96 - QE TYR 352 3.87 20 0.50 0.59 *+++++++++++++++++++ peak 8182 Upper QD2 LEU 96 - HG12 ILE 100 5.50 19 0.18 0.27 ++++++++ ++++++*++++ peak 3471 Upper H ILE 100 - HG3 GLN 101 5.50 15 0.12 0.19 ++++*++++ +++ +++ peak 4102 Upper QG2 ILE 100 - HE21 GLN 101 5.50 6 0.08 0.22 + ++ +* + peak 1675 Upper QG2 ILE 100 - H LEU 122 5.50 15 0.16 0.28 ++ ++ + ++ +++*++++ peak 1675 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.55 1.62 ++++++++*+++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.20 1.28 +++++++++++++*++++++ peak 8114 Upper HA GLN 101 - HB VAL 104 3.76 9 0.18 0.55 *++ + +++ ++ peak 3508 Upper H VAL 104 - HB2 LEU 118 5.50 9 0.11 0.32 ++ +*+ + ++ + peak 3907 Upper H GLN 107 - H ARG 108 3.50 12 0.52 0.89 +++++++ + + + + * peak 491 Upper H GLN 107 - HD2 PRO 109 5.50 13 0.12 0.21 ++++++*++++ + + peak 3707 Upper QB GLN 107 - QD2 LEU 118 3.53 7 0.07 0.18 ++* ++ + + peak 3933 Upper HA PRO 109 - H ALA 115 5.26 6 0.04 0.14 * ++ ++ + peak 573 Upper H GLU 113 - QD2 LEU 362 4.73 20 0.81 0.85 +++++++++++++++++++* peak 2316 Upper HA GLU 114 - H ALA 116 4.06 18 0.14 0.18 +++++ +++++++ ++++*+ peak 3874 Upper QB GLU 114 - QD2 LEU 118 4.52 15 0.12 0.17 ++++* +++++ ++++ + peak 3880 Upper HG3 GLU 114 - H ALA 117 4.68 9 0.07 0.18 + + +++ *+ ++ peak 1291 Upper H ALA 116 - QQD LEU 362 4.19 20 0.74 0.80 ++++++++++++++++*+++ peak 2305 Upper HA ALA 116 - QB GLN 359 4.00 20 0.24 0.45 +++++++++++++*++++++ peak 3889 Upper QB ALA 116 - HA GLN 359 4.70 20 0.40 0.48 +++++++++++++*++++++ peak 2197 Upper QB ALA 116 - QB GLN 359 3.84 19 0.18 0.23 *++++++++++++++ ++++ peak 1620 Upper QB ALA 116 - QQD LEU 362 3.35 20 0.13 0.16 +++++++++++++++++*++ peak 8301 Upper H LEU 118 - QG1 VAL 119 4.48 20 1.12 1.21 +++++++++++++++++++* peak 8239 Upper H LEU 118 - QQG VAL 119 3.91 13 0.11 0.22 ++ ++++*+++ +++ peak 8239 Upper HA LEU 118 - HG LEU 122 5.01 11 0.11 0.30 ++ ++ + +*++++ peak 4004 Upper QG2 VAL 119 - H LEU 122 5.50 17 0.14 0.22 + +++ ++*++++ ++++++ peak 3978 Upper H ASP 120 - QD ARG 123 5.34 19 0.29 0.39 ++++++++*++++ ++++++ peak 4042 Upper QA GLY 121 - HB2 LEU 122 5.50 7 0.09 0.13 ++ ++ + +* peak 3608 Upper H ARG 344 - HD1 TRP 372 5.50 12 0.11 0.16 + ++ + +*++++++ peak 647 Upper QD PHE 347 - H ARG 370 5.50 17 0.18 0.28 +++++++*++++++ ++ + peak 97 Upper QE PHE 347 - QQG VAL 388 3.91 14 0.13 0.24 ++ + *++++ ++ ++ ++ peak 3164 Upper QE PHE 347 - H PHE 392 5.50 20 0.24 0.32 ++++*+++++++++++++++ peak 425 Upper HZ PHE 347 - H CYS 369 5.50 20 0.22 0.37 ++++++++*+++++++++++ peak 86 Upper HZ PHE 347 - HA CYS 369 5.50 20 0.24 0.37 ++++++++++*+++++++++ peak 285 Upper HZ PHE 347 - HB3 LEU 387 4.03 10 0.12 0.31 ++ ++ ++ ++ *+ peak 290 Upper HA PHE 350 - HB2 HIS 351 5.50 20 0.17 0.18 *+++++++++++++++++++ peak 2038 Upper HB3 PHE 350 - QQD LEU 365 4.12 20 0.18 0.22 +++++++++++++++++++* peak 2359 Upper QD PHE 350 - HA PHE 392 5.47 12 0.10 0.17 *++++++ + ++++ peak 3240 Upper QE PHE 350 - QB ALA 395 4.59 20 0.38 0.49 ++++++++++++++++*+++ peak 1723 Upper HE1 HIS 351 - HB2 GLU 353 4.47 15 0.16 0.31 ++++ +*++++ ++ +++ peak 259 Upper HE1 HIS 351 - HB3 GLU 353 4.47 6 0.12 0.42 ++ ++ +* peak 260 Upper QB TYR 352 - QB ALA 361 5.15 19 0.15 0.19 + +++*++++++++++++++ peak 1602 Upper QB TYR 352 - HD2 PRO 397 5.50 8 0.09 0.17 + ++ + + +*+ peak 3382 Upper QD TYR 352 - H THR 356 5.15 20 0.35 0.46 +++++*++++++++++++++ peak 63 Upper QD TYR 352 - QG2 THR 356 4.43 19 0.15 0.19 +++++++ +++++++++*++ peak 248 Upper QD TYR 352 - QB ALA 395 4.48 18 0.15 0.17 +++++* ++++++ ++++++ peak 246 Upper QD TYR 352 - HB3 LEU 396 4.15 20 0.18 0.22 ++++++++++++++++++*+ peak 249 Upper QE TYR 352 - QG GLU 353 5.50 15 0.15 0.20 ++++++ ++++ +*+ ++ peak 2087 Upper QE TYR 352 - HA GLU 354 4.21 19 0.19 0.39 +++++++++++++++ +*++ peak 2183 Upper QE TYR 352 - H GLY 357 5.05 20 0.38 0.45 +++++++++++++++++*++ peak 400 Upper QE TYR 352 - HB3 LEU 396 3.94 20 0.19 0.27 +++++++++++++*++++++ peak 237 Upper QE TYR 352 - QQD LEU 396 4.12 20 0.18 0.26 ++++++*+++++++++++++ peak 240 Upper QE TYR 352 - QD2 LEU 396 5.50 19 0.23 0.31 ++++++ ++++++*++++++ peak 240 Upper HB THR 356 - H GLY 357 3.04 15 0.12 0.21 ++++ +*++++ ++ +++ peak 819 Upper HB3 PRO 358 - H LEU 396 4.68 18 0.14 0.18 ++++++ +++ +++++*+++ peak 8254 Upper HG3 PRO 358 - H GLN 359 3.61 20 0.20 0.25 +++++++++++++++++*++ peak 836 Upper QE2 GLN 359 - QB ALA 416 4.52 20 0.52 0.57 ++*+++++++++++++++++ peak 850 Upper HA GLU 360 - QB ALA 363 3.67 10 0.08 0.30 + + ++ + +++ * + peak 2225 Upper H LEU 362 - HG LEU 362 3.15 20 0.60 0.65 +++++++++++++*++++++ peak 884 Upper H LEU 362 - HG LEU 365 5.50 8 0.12 0.32 + + * + ++ + + peak 2392 Upper HA LEU 362 - QG1 VAL 388 3.24 20 0.30 0.37 *+++++++++++++++++++ peak 8202 Upper QQD LEU 362 - HG LEU 365 4.47 8 0.08 0.25 + + + * ++ + + peak 2375 Upper QQD LEU 362 - HB3 PRO 412 4.24 20 0.44 0.53 ++++++++++++++++*+++ peak 2265 Upper H GLN 364 - HG LEU 365 5.50 8 0.32 0.85 + + + * ++ + + peak 2392 Upper HA GLN 364 - HG3 GLU 367 4.69 7 0.10 0.16 + + + + +* + peak 2453 Upper QD1 LEU 365 - H PHE 392 4.49 6 0.05 0.14 + + + +* + peak 1170 Upper QD1 LEU 365 - HA PHE 392 4.36 8 0.09 0.24 + + + + +* + + peak 2394 Upper QQD LEU 365 - HB3 PHE 392 4.37 10 0.10 0.24 + + + +++ *+ + + peak 8286 Upper QD2 LEU 365 - HA PHE 392 4.36 12 0.15 0.35 + ++ ++ + *+++ + + peak 3229 Upper HA ARG 366 - QQG VAL 388 3.80 20 0.30 0.36 ++++++++++*+++++++++ peak 3844 Upper QB ARG 366 - QQG VAL 388 3.34 20 0.25 0.31 ++++++++++++++*+++++ peak 8231 Upper QG ARG 366 - HG2 GLU 367 5.50 20 0.18 0.22 +++++++++*++++++++++ peak 2456 Upper QG ARG 366 - HG3 GLU 367 5.50 20 0.17 0.20 +++++*++++++++++++++ peak 2459 Upper QG ARG 366 - QG1 VAL 388 5.50 20 0.42 0.47 +++++++++++++*++++++ peak 2412 Upper H GLU 367 - HG2 GLU 367 4.04 20 0.15 0.20 +++++++++*++++++++++ peak 2472 Upper HZ2 TRP 372 - QD1 LEU 386 4.94 19 0.20 0.25 +++++*++++ +++++++++ peak 3081 Upper QB LEU 384 - QD2 LEU 387 4.14 10 0.17 0.35 ++ + + *++ + + + peak 3114 Upper HG LEU 384 - H GLU 385 4.14 19 0.20 1.01 ++*+++ +++++++++++++ peak 3021 Upper QG2 VAL 388 - HG3 PRO 412 5.50 20 0.27 0.39 +++++++*++++++++++++ peak 3788 Upper HE22 GLN 391 - HA ALA 395 5.47 15 0.13 0.20 *+ ++ +++++++ +++ + peak 416 Upper QE PHE 392 - QB ALA 395 4.09 14 0.12 0.19 +++++++ +++ *+ ++ peak 1722 Upper QE PHE 392 - QQD LEU 396 3.78 20 0.21 0.34 ++++++*+++++++++++++ peak 165 Upper QE PHE 392 - QD1 LEU 396 4.52 20 0.15 0.23 ++++++*+++++++++++++ peak 165 Upper HZ PHE 392 - HB VAL 419 3.74 16 0.16 0.26 ++++ + +++ +++++*+ + peak 169 Upper HA LEU 393 - HG LEU 396 4.26 19 1.00 1.11 +*++++ +++++++++++++ peak 3330 Upper QQD LEU 393 - QQD LEU 396 3.03 13 0.12 0.23 ++ +++++*+ + +++ peak 3318 Upper HA2 GLY 394 - HB2 LEU 396 5.50 20 0.29 0.35 +++++++++*++++++++++ peak 3340 Upper H LEU 396 - HA GLN 401 5.50 20 0.31 0.44 ++++++*+++++++++++++ peak 3521 Upper HA LEU 396 - H GLN 401 5.50 20 0.22 0.28 +++++++++++++++++*++ peak 3367 Upper HB2 LEU 396 - HA GLN 401 4.42 15 0.10 0.14 ++++ +++++ ++ *+++ peak 3509 Upper HG LEU 396 - HA VAL 419 3.95 20 0.27 1.07 ++++++*+++++++++++++ peak 3944 Upper QQD LEU 396 - QG2 ILE 400 2.71 7 0.09 0.12 + ++ + * + + peak 3317 Upper QD1 LEU 396 - HG12 ILE 400 5.50 18 0.15 0.21 ++++*+ ++++++ ++++++ peak 3470 Upper QQD LEU 396 - QQG VAL 404 3.02 11 0.10 0.19 ++++++ +* + ++ peak 3591 Upper QQD LEU 396 - H VAL 419 4.48 19 0.42 0.51 *+++++ +++++++++++++ peak 1314 Upper QD1 LEU 396 - H VAL 419 5.50 19 0.28 0.34 ++++++ ++++++++*++++ peak 1314 Upper QD2 LEU 396 - HG12 ILE 400 5.50 18 0.17 0.27 ++++++++++++* +++ ++ peak 3471 Upper HA PRO 398 - HA GLN 401 5.50 6 0.09 0.13 +++ + * + peak 3433 Upper H ILE 400 - HG3 GLN 401 5.50 13 0.12 0.21 ++ ++*++++ +++ + peak 4102 Upper QG2 ILE 400 - H LEU 422 5.50 14 0.17 0.32 ++ ++ + ++ +++++ *+ peak 1675 Upper HA GLN 401 - HB VAL 404 3.76 7 0.13 0.54 + + + +++* peak 3508 Upper H VAL 404 - HB2 LEU 418 5.50 10 0.10 0.26 +++ ++ + +* + + peak 3907 Upper H GLN 407 - H ARG 408 3.50 12 0.52 0.88 +++++++ + + + * + peak 491 Upper H GLN 407 - HD2 PRO 409 5.50 13 0.13 0.24 +++++*++++ ++ + peak 3707 Upper HA GLU 414 - H ALA 416 4.06 19 0.13 0.16 +++++++++++++ *+++++ peak 3874 Upper QB GLU 414 - QD2 LEU 418 4.52 18 0.13 0.16 +*+++++ ++++++++++ + peak 3880 Upper HG3 GLU 414 - H ALA 417 4.68 7 0.07 0.15 +++ *+ ++ peak 1291 Upper H LEU 418 - QG1 VAL 419 4.48 20 1.14 1.25 +++++++++++++*++++++ peak 8239 Upper H LEU 418 - QQG VAL 419 3.91 6 0.07 0.15 + * + + + + peak 8239 Upper HA LEU 418 - HG LEU 422 5.01 10 0.09 0.28 +++ ++ +* ++ + peak 4004 Upper HB VAL 419 - HB2 ASP 420 3.94 10 0.09 0.21 + ++ *++ ++ ++ peak 1489 Upper QG2 VAL 419 - H LEU 422 5.50 17 0.13 0.19 + *+++++++++ ++++++ peak 3978 Upper H ASP 420 - QD ARG 423 5.34 20 0.29 0.36 ++++++++*+++++++++++ peak 4042 Upper QA GLY 421 - HB2 LEU 422 5.50 7 0.09 0.13 ++ *+ + ++ peak 3608 VdW CG PHE 47 - C PHE 47 2.90 19 0.21 0.23 +++++++++* +++++++++ VdW HA ARG 48 - HG2 GLN 91 2.00 18 0.26 0.35 +++++ + +++++++++++* VdW HE1 PHE 50 - O PRO 58 2.30 13 0.16 0.29 + ++++++ + *+ +++ VdW CZ PHE 50 - O GLY 57 2.90 18 0.22 0.25 +++ ++++++++*++++++ VdW HE2 PHE 50 - O PRO 58 2.30 6 0.08 0.25 + + *++ + VdW CG HIS 51 - O HIS 51 2.90 20 0.43 0.46 ++++++++++*+++++++++ VdW HB2 TYR 52 - CA PRO 58 2.60 6 0.20 0.22 + + ++ + * VdW HB2 TYR 52 - HA PRO 58 2.00 20 0.37 0.41 ++++++*+++++++++++++ VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 +++++*++++++++++++++ VdW CD1 TYR 52 - C TYR 52 3.10 7 0.09 0.24 ++ + +* ++ VdW CZ TYR 52 - OH TYR 352 2.90 7 0.20 0.24 + +*+ + ++ VdW CD2 TYR 52 - C TYR 52 3.10 7 0.12 0.27 * + + + ++ + VdW OH TYR 52 - CZ TYR 352 2.90 6 0.20 0.24 + + +* + + VdW OH TYR 52 - OH TYR 352 2.60 20 0.75 0.79 ++++++*+++++++++++++ VdW C GLU 53 - H ALA 55 2.45 11 0.16 0.35 +++ +++ *+ +++ VdW O GLU 53 - N GLY 57 2.75 16 0.33 0.47 ++++ ++++++ ++ +*++ VdW O GLU 53 - H GLY 57 1.80 11 0.23 0.44 +++ +++ ++ *++ VdW CG2 THR 56 - C THR 56 2.90 20 0.29 0.32 +++++++++++*++++++++ VdW HA2 GLY 57 - CD PRO 58 2.60 20 0.28 0.29 +++++++++++++*++++++ VdW HA3 GLY 57 - CG1 VAL 419 2.60 8 0.18 0.25 + +++ * +++ VdW CB PRO 58 - HA ALA 95 2.60 20 0.28 0.29 *+++++++++++++++++++ VdW HB2 PRO 58 - HA ALA 95 2.00 14 0.22 0.27 ++++*++ + + +++ ++ VdW HG2 PRO 58 - CB ALA 395 2.60 20 0.50 0.53 +++++++++++++++++*++ VdW HG2 PRO 58 - HB1 ALA 395 2.00 6 0.14 0.37 + + + + * + VdW HG2 PRO 58 - HB3 ALA 395 2.00 9 0.15 0.31 * + +++ + + + + VdW HD2 PRO 58 - CD1 LEU 396 2.60 19 0.43 0.49 ++++++ ++++++++++++* VdW HD2 PRO 58 - HD11 LEU 396 2.00 8 0.10 0.26 ++* + + ++ + VdW HD2 PRO 58 - HD12 LEU 396 2.00 7 0.09 0.29 ++ + + * + + VdW CB GLN 59 - CB ALA 395 3.20 20 0.25 0.30 +++++++++++++*++++++ VdW HB2 GLN 59 - CB ALA 395 2.60 20 0.57 0.72 +++++++++*++++++++++ VdW HB2 GLN 59 - HB1 ALA 395 2.00 9 0.20 0.57 +++ ++ * ++ + VdW HB2 GLN 59 - HB2 ALA 395 2.00 11 0.26 0.58 + ++ ++* + + ++ + VdW HB2 GLN 59 - HB3 ALA 395 2.00 10 0.21 0.56 + ++ + ++ + + *+ VdW HB3 GLN 59 - CZ PHE 392 2.60 14 0.24 0.34 ++++ +++*+ +++++ VdW CG GLN 59 - CB ALA 395 3.20 6 0.12 0.35 + ++ +* + VdW HG2 GLN 59 - O PHE 392 2.30 8 0.11 0.23 + ++ *+ + + + VdW HG3 GLN 59 - O PHE 392 2.30 10 0.16 0.45 + * +++ + +++ + VdW C GLN 59 - N ALA 61 2.95 20 0.33 0.34 ++++++++++++++++++*+ VdW C GLN 59 - H ALA 61 2.45 20 0.37 0.40 ++++++++++++++++++*+ VdW O GLN 59 - N ALA 61 2.75 20 0.43 0.47 ++++++++++++++++++*+ VdW O GLN 59 - CE1 PHE 392 2.90 10 0.16 0.34 +* ++ + ++ + ++ VdW O GLN 59 - HE1 PHE 392 2.30 10 0.21 0.45 *+ ++ + ++ + ++ VdW O GLN 59 - CE2 PHE 392 2.90 10 0.16 0.34 + +++ + * +++ + VdW O GLN 59 - HE2 PHE 392 2.30 10 0.22 0.45 + +++ + + +++ * VdW HA GLU 60 - HZ PHE 392 2.00 11 0.20 0.27 * ++++ + + + +++ VdW HA GLU 60 - CB ALA 416 2.60 16 0.23 0.30 ++++++ *++ ++ ++++ + VdW CG GLU 60 - C GLU 60 2.90 13 0.20 0.21 +++++++ ++++ * + VdW HG3 GLU 60 - C GLU 60 2.50 19 0.34 0.40 ++++++*++++++++++++ VdW C ALA 61 - HG LEU 65 2.50 15 0.25 0.40 +++++ + +++ ++ +*++ VdW O ALA 61 - C LEU 62 2.80 20 0.28 0.33 ++++++++++++++++*+++ VdW O ALA 61 - N GLN 64 2.75 17 0.23 0.29 +++++*+ +++++++ + ++ VdW O ALA 61 - N LEU 65 2.75 20 0.29 0.35 +++++++*++++++++++++ VdW O ALA 61 - H LEU 65 1.80 20 0.27 0.32 +++++++*++++++++++++ VdW O ALA 61 - HG LEU 65 2.30 15 0.22 0.36 +++++ + +++ *+ ++++ VdW CD1 LEU 62 - HB2 PRO 412 2.60 19 0.24 0.27 +++++*+++++++++++++ VdW N LEU 65 - CD2 LEU 65 3.05 10 0.15 0.25 ++ + *+ ++ + ++ VdW CD1 LEU 65 - HA VAL 88 2.60 15 0.19 0.30 ++++* + +++ ++ ++++ VdW CD1 LEU 65 - HB3 GLN 91 2.60 12 0.17 0.25 *++++ + ++ ++ + + VdW O LEU 65 - SG CYS 69 3.10 8 0.18 0.23 + + + *++ + + VdW SG CYS 69 - C CYS 69 3.10 9 0.20 0.24 + *+ + ++++ + VdW CD1 TRP 72 - C TRP 72 3.10 20 0.30 0.33 +++++++++++++++++++* VdW HA ARG 74 - CD PRO 75 2.60 20 0.30 0.31 +++++++++*++++++++++ VdW C ARG 74 - H GLU 76 2.45 16 0.22 0.26 +++ +++ ++ +* ++++++ VdW O LYS 80 - N LEU 84 2.75 20 0.23 0.27 ++++++++++*+++++++++ VdW O MET 83 - CD1 LEU 87 2.90 20 0.30 0.33 +++++++++++*++++++++ VdW O LEU 84 - HD11 LEU 87 2.30 6 0.08 0.25 + + * ++ + VdW O LEU 84 - HD12 LEU 87 2.30 9 0.11 0.27 ++ + + *++ + + VdW O LEU 84 - CG2 VAL 88 2.90 20 0.27 0.32 +++++*++++++++++++++ VdW HG LEU 86 - N LEU 87 2.45 19 0.24 0.26 +++++++ ++++++++++*+ VdW N LEU 87 - CD1 LEU 87 3.05 20 0.25 0.28 +++++++*++++++++++++ VdW H LEU 87 - CD1 LEU 87 2.55 20 0.51 0.55 +++++++*++++++++++++ VdW H LEU 87 - HD11 LEU 87 1.95 7 0.11 0.30 + + + * ++ + VdW H LEU 87 - HD12 LEU 87 1.95 10 0.18 0.31 ++ + + + ++* + + VdW CD2 LEU 87 - C LEU 87 3.10 20 0.37 0.39 +*++++++++++++++++++ VdW CD2 LEU 87 - N VAL 88 3.05 20 0.28 0.34 ++++++++++*+++++++++ VdW HD21 LEU 87 - N VAL 88 2.45 6 0.10 0.23 + * + +++ VdW HD22 LEU 87 - C LEU 87 2.50 7 0.12 0.37 ++ + +*+ + VdW HD23 LEU 87 - C LEU 87 2.50 10 0.17 0.39 *++ + + + ++++ VdW CG1 VAL 88 - C VAL 88 2.90 20 0.24 0.26 ++++++++++++++++++*+ VdW HB2 LEU 89 - C SER 111 2.50 20 0.29 0.36 +++++++++++*++++++++ VdW HB2 LEU 89 - N PRO 112 2.45 9 0.13 0.32 + + +* +++ ++ VdW CD1 LEU 89 - N GLU 90 3.05 10 0.17 0.36 + + + +* +++ ++ VdW CD2 LEU 89 - C LEU 89 3.10 10 0.22 0.45 + + + ++ +*+ ++ VdW NE2 GLN 91 - O GLN 91 2.75 20 0.29 0.32 +++++++*++++++++++++ VdW O GLN 91 - N GLY 94 2.75 17 0.21 0.22 ++*++++ ++ ++++++++ VdW CD1 PHE 92 - C PHE 92 3.10 11 0.21 0.42 * + + + ++++ +++ VdW CE1 PHE 92 - HB3 GLN 359 2.60 6 0.13 0.40 + + ++ * + VdW CE1 PHE 92 - O GLN 359 2.90 9 0.14 0.35 * + + + ++++ + VdW HE1 PHE 92 - O GLN 359 2.30 9 0.19 0.46 + + * + ++++ + VdW CZ PHE 92 - HB3 GLN 359 2.60 15 0.25 0.36 ++++ +++++ +*++++ VdW HZ PHE 92 - HA ALA 116 2.00 11 0.20 0.25 + + ++ + +* + + ++ VdW HZ PHE 92 - HB2 ALA 116 2.00 6 0.12 0.24 *+ + + + + VdW HZ PHE 92 - HA GLU 360 2.00 8 0.19 0.31 * ++ ++++ + VdW CE2 PHE 92 - O GLN 359 2.90 11 0.18 0.34 + + + + ++++ ++* VdW HE2 PHE 92 - O GLN 359 2.30 11 0.23 0.45 + + + + ++++ ++* VdW CD2 PHE 92 - C PHE 92 3.10 9 0.18 0.44 + + * + ++++ + VdW CD2 PHE 92 - CG GLN 359 3.20 6 0.09 0.31 + + +*+ + VdW O PHE 92 - HG2 GLN 359 2.30 6 0.10 0.24 +++ *+ + VdW O PHE 92 - HG3 GLN 359 2.30 11 0.19 0.46 ++ ++ +++ + *++ VdW O LEU 93 - CD2 LEU 96 2.90 18 0.37 0.46 ++++*++ +++++++++++ VdW CB ALA 95 - HG2 PRO 358 2.60 20 0.49 0.52 +++++++++++++*++++++ VdW CB ALA 95 - CB GLN 359 3.20 20 0.26 0.29 +++++++++++++*++++++ VdW CB ALA 95 - HB2 GLN 359 2.60 20 0.56 0.73 +++++++++*++++++++++ VdW CB ALA 95 - CG GLN 359 3.20 6 0.12 0.34 + ++ +* + VdW HB1 ALA 95 - HG2 PRO 358 2.00 6 0.14 0.35 + + + + * + VdW HB1 ALA 95 - HB2 GLN 359 2.00 9 0.20 0.58 +* + + + +++ + VdW HB2 ALA 95 - HB2 GLN 359 2.00 11 0.26 0.65 + ++ +*++ + + + + VdW HB3 ALA 95 - HG2 PRO 358 2.00 9 0.15 0.32 + + +*+ + + + + VdW HB3 ALA 95 - HB2 GLN 359 2.00 8 0.18 0.59 + +++ + * + + VdW N LEU 96 - CD1 LEU 96 3.05 18 0.25 0.29 +++*+++ +++++++++++ VdW N LEU 96 - CD2 LEU 96 3.05 18 0.28 0.33 +++++++ +++*+++++++ VdW H LEU 96 - CD2 LEU 96 2.55 18 0.30 0.35 +++++++ +++++++*+++ VdW HB2 LEU 96 - HB ILE 100 2.00 18 0.25 0.28 +++++++ ++++*++++++ VdW CD1 LEU 96 - HD2 PRO 358 2.60 18 0.41 0.48 +++++++ ++++*++++++ VdW HD11 LEU 96 - HD2 PRO 358 2.00 7 0.09 0.29 +++ + ++ * VdW HD12 LEU 96 - HD2 PRO 358 2.00 6 0.08 0.27 * + + + + + VdW CB PRO 97 - CD PRO 98 3.20 18 0.22 0.24 +++++++ ++++*++++++ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.31 0.33 +++++++++++++*++++++ VdW HB2 PRO 97 - CD PRO 98 2.60 18 0.22 0.25 +++++++ ++++*++++++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.42 0.46 +++++++++++++*++++++ VdW HB2 PRO 112 - CD1 LEU 362 2.60 20 0.24 0.28 ++++++++++*+++++++++ VdW CB ALA 116 - HA GLU 360 2.60 16 0.23 0.30 +++++ ++* ++ ++++++ VdW CG1 VAL 119 - HA3 GLY 357 2.60 9 0.19 0.27 + +++ ++ +*+ VdW CG PHE 347 - C PHE 347 2.90 18 0.22 0.23 ++++ +++*+ +++++++++ VdW HA ARG 348 - HG2 GLN 391 2.00 20 0.26 0.35 ++++++*+++++++++++++ VdW HE1 PHE 350 - O PRO 358 2.30 10 0.12 0.27 * ++++ + + +++ VdW CZ PHE 350 - O GLY 357 2.90 15 0.22 0.26 ++ + ++++++*+ ++++ VdW HE2 PHE 350 - O PRO 358 2.30 10 0.12 0.27 + +++ *+++ ++ VdW CG HIS 351 - O HIS 351 2.90 20 0.43 0.46 +++++++++++++++++*++ VdW HB2 TYR 352 - CA PRO 358 2.60 6 0.19 0.22 + *++ + + VdW HB2 TYR 352 - HA PRO 358 2.00 20 0.37 0.40 *+++++++++++++++++++ VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 +++++++*++++++++++++ VdW CD2 TYR 352 - C TYR 352 3.10 7 0.12 0.27 +* + + +++ VdW C GLU 353 - H ALA 355 2.45 10 0.15 0.32 +++ *++ ++ ++ VdW O GLU 353 - N GLY 357 2.75 18 0.33 0.43 +++++++++++* ++ ++++ VdW O GLU 353 - H GLY 357 1.80 10 0.22 0.40 +++ ++* ++ ++ VdW CG2 THR 356 - C THR 356 2.90 20 0.29 0.32 ++++++++++++++*+++++ VdW HA2 GLY 357 - CD PRO 358 2.60 20 0.28 0.29 +++++++++++++*++++++ VdW CB PRO 358 - HA ALA 395 2.60 20 0.27 0.30 +++++++*++++++++++++ VdW HB2 PRO 358 - HA ALA 395 2.00 14 0.21 0.26 ++ ++*+++ + +++++ VdW C GLN 359 - N ALA 361 2.95 20 0.33 0.33 ++*+++++++++++++++++ VdW C GLN 359 - H ALA 361 2.45 20 0.37 0.38 ++++++++++++++++++*+ VdW O GLN 359 - N ALA 361 2.75 20 0.43 0.45 ++*+++++++++++++++++ VdW CG GLU 360 - C GLU 360 2.90 13 0.20 0.21 + ++* +++ ++ ++ + + VdW HG3 GLU 360 - C GLU 360 2.50 19 0.34 0.40 +++++*+++++++++++++ VdW C ALA 361 - HG LEU 365 2.50 12 0.20 0.36 + ++ *+ + ++++ + + VdW O ALA 361 - C LEU 362 2.80 20 0.27 0.33 ++++++++++++++++*+++ VdW O ALA 361 - N GLN 364 2.75 16 0.23 0.28 +++++++ + +++* ++ ++ VdW O ALA 361 - N LEU 365 2.75 20 0.29 0.35 +++++++*++++++++++++ VdW O ALA 361 - H LEU 365 1.80 20 0.27 0.33 +++++++*++++++++++++ VdW O ALA 361 - HG LEU 365 2.30 12 0.19 0.40 + ++ ++ + *+++ + + VdW N LEU 365 - CD2 LEU 365 3.05 10 0.12 0.24 ++ ++ + ++* + + VdW CA LEU 365 - CD1 LEU 365 3.00 7 0.08 0.22 + + + + + + * VdW CD1 LEU 365 - HA VAL 388 2.60 12 0.16 0.32 + ++ *+ + ++++ + + VdW CD1 LEU 365 - HB3 GLN 391 2.60 10 0.14 0.25 + + *+ + +++ + + VdW SG CYS 369 - C CYS 369 3.10 9 0.20 0.24 ++ + * +++ + + VdW CD1 TRP 372 - C TRP 372 3.10 20 0.30 0.38 ++++++++++*+++++++++ VdW HA ARG 374 - CD PRO 375 2.60 20 0.30 0.31 +++++++++*++++++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.22 0.28 +++++++++++++++++*++ VdW O LYS 380 - N LEU 384 2.75 20 0.24 0.27 ++++++++++*+++++++++ VdW O MET 383 - CD1 LEU 387 2.90 12 0.23 0.33 + +++ + ++ *+ +++ VdW O LEU 384 - HD12 LEU 387 2.30 8 0.11 0.25 + ++ ++ ++ * VdW O LEU 384 - CG2 VAL 388 2.90 19 0.26 0.31 +++++*++++ +++++++++ VdW HG LEU 386 - N LEU 387 2.45 18 0.23 0.31 ++*+ +++++ +++++++++ VdW N LEU 387 - CD1 LEU 387 3.05 19 0.23 0.27 ++++*+++++ +++++++++ VdW H LEU 387 - CD1 LEU 387 2.55 19 0.46 0.54 ++++*+++++ +++++++++ VdW H LEU 387 - HD12 LEU 387 1.95 9 0.16 0.29 ++ + + +* ++ + VdW CD2 LEU 387 - C LEU 387 3.10 19 0.35 0.40 ++++++*+++ +++++++++ VdW CD2 LEU 387 - N VAL 388 3.05 19 0.26 0.35 ++++*+++++ +++++++++ VdW HD22 LEU 387 - C LEU 387 2.50 6 0.10 0.35 ++ + + * + VdW HD23 LEU 387 - C LEU 387 2.50 10 0.17 0.37 ++* + + + ++++ VdW CG1 VAL 388 - C VAL 388 2.90 19 0.24 0.26 ++++++++++ +++++++*+ VdW HB2 LEU 389 - C SER 411 2.50 20 0.29 0.37 +++++++++++*++++++++ VdW HB2 LEU 389 - N PRO 412 2.45 7 0.11 0.27 + * + ++ ++ VdW CD1 LEU 389 - N GLU 390 3.05 8 0.14 0.37 + +* + ++ ++ VdW CD2 LEU 389 - C LEU 389 3.10 8 0.18 0.45 + ++ + *+ ++ VdW NE2 GLN 391 - O GLN 391 2.75 20 0.29 0.33 +++++++++++++++++*++ VdW O GLN 391 - N GLY 394 2.75 13 0.20 0.23 ++ + * ++ + ++ ++ ++ VdW CD1 PHE 392 - C PHE 392 3.10 10 0.20 0.43 * +++ + + +++ + VdW HZ PHE 392 - HA ALA 416 2.00 13 0.21 0.26 *+ ++ +++ +++ ++ + VdW CD2 PHE 392 - C PHE 392 3.10 10 0.20 0.41 *+ ++ + ++ + ++ VdW O LEU 393 - CD2 LEU 396 2.90 19 0.40 0.45 ++++++ ++++++++++*++ VdW N LEU 396 - CD1 LEU 396 3.05 19 0.26 0.30 ++++++ ++++++*++++++ VdW N LEU 396 - CD2 LEU 396 3.05 19 0.29 0.33 ++++++ +++++*+++++++ VdW H LEU 396 - CD2 LEU 396 2.55 19 0.31 0.35 ++++++ +++++*+++++++ VdW HB2 LEU 396 - HB ILE 400 2.00 19 0.26 0.28 ++++++ ++*++++++++++ VdW CB PRO 397 - CD PRO 398 3.20 19 0.22 0.24 ++++++ ++++++*++++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.31 0.33 +++++++++++++*++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 19 0.22 0.25 ++++++ ++++++*++++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.43 0.46 +++++++++++++*++++++ Angle PSI ARG 48 -34.00 -4.00 20 6.76 9.14 +++++++++++++++++++* Angle PSI CYS 49 -51.00 -5.00 20 22.98 25.29 +++++*++++++++++++++ Angle PHI PHE 50 -112.00 -54.00 20 14.06 15.47 +++++*++++++++++++++ Angle PSI HIS 51 99.00 143.00 15 5.82 7.53 ++++ + *+++ ++ ++++ Angle PHI TYR 52 -106.00 -68.00 13 4.39 6.58 ++++ + *++ + ++++ Angle PSI GLU 54 -38.00 -16.00 7 3.93 8.15 ++ + + + * + Angle PHI ALA 55 -80.00 -58.00 20 14.92 21.02 ++++++++++++*+++++++ Angle PSI THR 56 -15.00 15.00 20 17.29 23.35 +++++++++++++*++++++ Angle PHI GLU 60 -75.00 -55.00 20 16.11 17.29 ++++++++++++++++++*+ Angle PSI GLU 60 -54.00 -34.00 20 14.82 15.71 ++++++++++++++*+++++ Angle PHI ALA 61 -72.00 -52.00 20 7.06 8.64 +++++*++++++++++++++ Angle PHI LEU 62 -71.00 -51.00 20 18.88 23.72 ++++++++++++++++*+++ Angle PSI GLN 64 -51.00 -31.00 6 4.52 7.18 * + ++ + + Angle PSI LEU 65 -52.00 -32.00 20 12.70 14.04 ++++++*+++++++++++++ Angle PSI ARG 66 -50.00 -30.00 20 7.44 8.41 +++++++++*++++++++++ Angle PSI LEU 68 -52.00 -32.00 6 4.64 5.62 * + + + ++ Angle PHI CYS 69 -76.00 -56.00 9 4.78 5.63 ++ + +*++ + + Angle PSI SER 79 155.00 175.00 10 5.49 8.04 + + * + + ++ ++ + Angle PHI LYS 80 -69.00 -49.00 20 7.27 7.91 +++*++++++++++++++++ Angle PSI LYS 80 -48.00 -28.00 20 10.00 11.85 *+++++++++++++++++++ Angle PSI GLU 81 -50.00 -30.00 15 5.57 6.64 + + ++++++ +++++*+ Angle PHI GLN 82 -76.00 -56.00 20 7.43 9.23 ++++++++++++*+++++++ Angle PHI LEU 84 -73.00 -53.00 20 6.83 8.05 +*++++++++++++++++++ Angle PHI GLU 85 -75.00 -55.00 19 7.23 10.09 +++++++*++ +++++++++ Angle PSI GLU 85 -54.00 -34.00 20 7.00 9.02 +++++++++++*++++++++ Angle PHI LEU 87 -77.00 -57.00 12 4.86 7.65 ++ * + +++ +++++ Angle PSI LEU 87 -51.00 -31.00 20 11.23 13.91 ++++++++++++++++++*+ Angle PHI VAL 88 -78.00 -58.00 11 4.79 6.26 +*+ ++ ++ + + ++ Angle PSI VAL 88 -55.00 -35.00 19 6.75 9.25 ++++++++++++++*+++ + Angle PSI LEU 89 -57.00 -37.00 10 4.45 8.62 + + + ++ ++* ++ Angle PSI PHE 92 -55.00 -35.00 10 4.84 7.74 + ++ + +++ + +* Angle PSI LEU 93 -49.00 -29.00 20 18.11 20.71 +*++++++++++++++++++ Angle PSI PRO 97 132.20 154.90 20 26.86 27.98 +++++++++++++*++++++ Angle PSI PRO 98 -46.00 -28.00 20 12.81 13.39 +++++++*++++++++++++ Angle PHI ALA 102 -72.00 -52.00 9 5.05 10.22 + +++++ + * + Angle PHI ARG 103 -73.00 -53.00 17 6.69 9.84 +++++++++ *++ ++++ + Angle PSI ARG 103 -53.00 -33.00 11 4.98 7.16 + +++ + +*++++ Angle PSI VAL 104 -54.00 -34.00 7 3.78 5.83 + + *+ ++ + Angle PSI GLY 106 -40.00 -6.00 10 4.89 6.42 +++++ + + + + * Angle PSI ALA 117 -50.00 -30.00 20 8.67 9.73 ++++*+++++++++++++++ Angle PHI ASP 120 -69.00 -49.00 20 13.48 17.36 +++++++++++++++*++++ Angle PSI ARG 348 -34.00 -4.00 18 6.54 8.73 ++++++* ++++++++ +++ Angle PSI CYS 349 -51.00 -5.00 20 23.31 25.19 ++++*+++++++++++++++ Angle PHI PHE 350 -112.00 -54.00 20 14.16 15.20 +*++++++++++++++++++ Angle PSI HIS 351 99.00 143.00 15 5.96 7.81 ++++ ++*+++ ++ +++ Angle PHI TYR 352 -106.00 -68.00 14 4.41 7.20 ++++ ++++++ *+ ++ Angle PSI GLU 354 -38.00 -16.00 7 3.88 7.32 + + + *+ + + Angle PHI ALA 355 -80.00 -58.00 20 15.06 21.16 ++++*+++++++++++++++ Angle PSI THR 356 -15.00 15.00 20 17.12 22.64 ++++++++++++++*+++++ Angle PHI GLU 360 -75.00 -55.00 20 16.07 16.79 ++*++*++++++++++++++ Angle PSI GLU 360 -54.00 -34.00 20 14.79 15.51 +++++++++++++++++++* Angle PHI ALA 361 -72.00 -52.00 20 7.13 8.37 +++++*++++++++++++++ Angle PHI LEU 362 -71.00 -51.00 20 18.32 23.88 ++++++++++++++++*+++ Angle PSI GLN 364 -51.00 -31.00 8 4.53 6.89 * + + + ++ + + Angle PSI LEU 365 -52.00 -32.00 20 12.33 14.54 ++++++*+++++++++++++ Angle PSI ARG 366 -50.00 -30.00 20 7.36 9.55 +++++++++*++++++++++ Angle PSI LEU 368 -52.00 -32.00 7 4.51 5.77 ++ + + + * + Angle PHI CYS 369 -76.00 -56.00 7 4.87 7.28 + + + *+ + + Angle PSI SER 379 155.00 175.00 11 5.19 8.40 + + + + + +* +++ + Angle PHI LYS 380 -69.00 -49.00 20 7.59 8.57 +++++++*++++++++++++ Angle PSI LYS 380 -48.00 -28.00 20 10.29 12.28 +*++++++++++++++++++ Angle PSI GLU 381 -50.00 -30.00 17 5.66 6.74 ++ ++ ++++++ +++++*+ Angle PHI GLN 382 -76.00 -56.00 20 7.14 10.02 ++++++++++++*+++++++ Angle PHI LEU 384 -73.00 -53.00 19 6.21 7.19 +*++++++++ +++++++++ Angle PHI GLU 385 -75.00 -55.00 18 7.57 11.27 ++ ++++*++ +++++++++ Angle PSI GLU 385 -54.00 -34.00 20 6.76 9.72 ++++++*+++++++++++++ Angle PHI LEU 387 -77.00 -57.00 8 4.29 10.60 + + *++ + ++ Angle PSI LEU 387 -51.00 -31.00 19 9.65 14.57 ++++++*+++ +++++++++ Angle PHI VAL 388 -78.00 -58.00 11 5.34 8.75 ++ + + + * + ++ ++ Angle PSI VAL 388 -55.00 -35.00 20 6.98 9.40 +++++++*++++++++++++ Angle PSI LEU 389 -57.00 -37.00 8 3.48 8.62 * ++ + ++ ++ Angle PSI PHE 392 -55.00 -35.00 9 4.65 8.18 * + + + + +++ + Angle PSI LEU 393 -49.00 -29.00 20 18.67 21.60 ++++++++++*+++++++++ Angle PSI PRO 397 132.20 154.90 20 26.91 27.76 +++++++++++++*++++++ Angle PSI PRO 398 -46.00 -28.00 20 12.76 13.61 +++++++++++++++++*++ Angle PHI ILE 400 -73.00 -53.00 10 4.99 5.68 + +*++ ++ + + + Angle PHI ALA 402 -72.00 -52.00 9 5.12 9.30 + +++++ + * + Angle PHI ARG 403 -73.00 -53.00 18 6.53 9.74 +++++++++*++ ++++++ Angle PSI ARG 403 -53.00 -33.00 12 4.94 6.68 + + + +++ + ++* ++ Angle PSI VAL 404 -54.00 -34.00 7 4.23 6.40 + + ++ * ++ Angle PSI GLY 406 -40.00 -6.00 10 4.99 5.96 ++* +++++ + + Angle PSI ALA 417 -50.00 -30.00 20 8.79 10.01 +++++++++++++++*++++ Angle PHI VAL 419 -74.00 -54.00 6 4.07 6.03 + ++ *+ + Angle PHI ASP 420 -69.00 -49.00 20 13.51 17.00 +++++++++++++++*++++ 227 violated distance constraints. 84 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.19 +/- 0.04 A (0.13..0.26 A; 20 structures) Average heavy atom RMSD to mean : 0.62 +/- 0.06 A (0.52..0.73 A; 20 structures)