Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 153.96 227 0.0937 3.48 183 115.4 0.77 66 6.0220 26.39 2 154.78 247 0.0941 3.50 178 114.7 0.74 66 6.3271 26.61 3 155.32 228 0.0916 3.48 197 120.9 0.73 78 6.5283 27.14 4 157.72 224 0.0924 3.41 194 120.4 0.74 77 6.5019 27.37 5 158.10 236 0.0972 3.48 167 112.3 0.77 66 6.2231 25.73 6 158.17 253 0.0956 3.44 166 112.9 0.74 66 6.2387 26.47 7 160.77 246 0.0962 3.44 175 116.8 0.77 75 6.2733 26.31 8 160.95 261 0.0935 3.43 186 122.5 0.75 72 6.6521 34.21 9 163.03 281 0.0959 3.44 185 122.8 0.75 71 6.3694 27.02 10 164.14 260 0.0948 3.43 199 124.0 0.73 70 6.4797 27.12 11 164.76 252 0.0955 3.45 200 123.3 0.77 70 6.5425 27.99 12 165.20 229 0.0961 3.52 189 120.0 0.74 76 6.5485 27.14 13 165.67 273 0.0969 3.39 183 121.1 0.72 75 6.3886 27.35 14 165.71 252 0.0973 3.51 199 123.3 0.77 68 6.3076 28.14 15 165.96 269 0.0964 3.43 181 119.8 0.79 76 6.7301 26.96 16 166.16 244 0.0949 3.45 194 125.3 0.76 81 6.6891 27.18 17 166.90 264 0.0948 3.44 200 129.7 0.69 76 6.7126 27.58 18 167.78 273 0.0957 3.42 206 126.8 0.73 80 6.6870 30.00 19 167.83 266 0.0995 3.46 174 116.0 0.75 63 6.2396 26.01 20 168.40 254 0.0968 3.52 186 123.6 0.76 70 6.3945 27.13 Ave 162.57 252 0.0954 3.46 187 120.6 0.75 72 6.4428 27.49 +/- 4.59 16 0.0018 0.03 11 4.6 0.02 5 0.1913 1.77 Min 153.96 224 0.0916 3.39 166 112.3 0.69 63 6.0220 25.73 Max 168.40 281 0.0995 3.52 206 129.7 0.79 81 6.7301 34.21 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - HE3 TRP 72 4.81 6 0.06 0.16 + ++ + +* peak 125 Upper H ARG 44 - HD1 TRP 72 5.50 11 0.12 0.23 +++ +*+ + + + + + peak 647 Upper HG LEU 45 - H ARG 46 3.97 6 0.19 0.70 + + + ++ * peak 666 Upper QD PHE 47 - H ARG 70 5.50 16 0.17 0.29 +*++ + ++++ ++++++ + peak 97 Upper QE PHE 47 - QG1 VAL 88 5.50 9 0.09 0.26 + +++* + + ++ peak 2762 Upper QE PHE 47 - QG2 VAL 88 4.00 13 0.12 0.27 ++++ + + *++++++ peak 3164 Upper QE PHE 47 - H PHE 92 5.50 18 0.18 0.35 + ++*++++++++++++++ peak 425 Upper HZ PHE 47 - H CYS 69 5.50 19 0.19 0.27 +++*+++++++++ ++++++ peak 86 Upper HZ PHE 47 - HA CYS 69 5.50 20 0.28 0.45 ++++++++*+++++++++++ peak 285 Upper HZ PHE 47 - HB2 LEU 87 4.03 10 0.08 0.19 +*++ ++++++ peak 290 Upper H PHE 50 - QD2 LEU 65 4.81 13 0.12 0.22 +++ ++++ *++++ + peak 779 Upper HA PHE 50 - HB3 HIS 51 5.50 20 0.17 0.19 ++++++*+++++++++++++ peak 2038 Upper HB2 PHE 50 - QD2 LEU 65 4.14 19 0.18 0.28 ++++++ ++++++++*++++ peak 2359 Upper HB3 PHE 50 - QD1 LEU 68 5.02 10 0.22 0.54 + +++ *+ +++ + peak 2009 Upper QD PHE 50 - QB ALA 395 3.01 20 3.44 3.50 +*++++++++++++++++++ peak 8165 Upper QE PHE 50 - QB ALA 95 4.59 20 0.28 0.40 ++++++++++++*+++++++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 1.71 1.78 +*++++++++++++++++++ peak 8164 Upper HE1 HIS 51 - HB2 GLU 53 4.47 18 0.18 0.31 + ++++*++++++++++ ++ peak 259 Upper QB TYR 52 - QB ALA 61 5.15 14 0.14 0.28 ++ ++++++++++* + peak 1602 Upper QD TYR 52 - HA GLU 54 4.90 6 0.04 0.15 *++ ++ + peak 2184 Upper QD TYR 52 - H THR 56 5.15 20 0.30 0.45 +++++++++++++*++++++ peak 63 Upper QD TYR 52 - QG2 THR 56 4.43 18 0.14 0.22 ++++ *++ +++++++++++ peak 248 Upper QD TYR 52 - QB ALA 95 4.48 10 0.10 0.15 + + + +++*++ + peak 246 Upper QD TYR 52 - HB3 LEU 96 4.15 11 0.10 0.25 ++ + ++ + ++*+ + peak 249 Upper QD TYR 52 - QD1 LEU 96 5.40 12 0.13 0.25 ++ +*++ + ++ +++ peak 251 Upper QD TYR 52 - QB ALA 395 3.67 20 1.03 1.12 ++++++++++++++++++*+ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 0.64 0.74 +++++++++++++++++*++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 0.51 0.54 +++++++++++*++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.59 1.76 +++++++++++++++++*++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 10 0.11 0.22 ++ ++ +++++ * peak 2087 Upper QE TYR 52 - HA GLU 54 4.21 12 0.17 0.36 + +++ + + +*++ ++ peak 2183 Upper QE TYR 52 - H GLY 57 5.05 20 0.36 0.43 ++++++++++++++*+++++ peak 400 Upper QE TYR 52 - HB3 LEU 96 3.94 20 0.18 0.26 +++++++++*++++++++++ peak 237 Upper QE TYR 52 - QD1 LEU 96 5.50 20 0.40 0.52 +++*++++++++++++++++ peak 239 Upper QE TYR 52 - QD2 LEU 96 4.26 20 0.20 0.26 +++*++++++++++++++++ peak 240 Upper QE TYR 52 - QB ALA 395 4.32 20 0.93 1.00 ++++++++++++++++*+++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 0.48 0.52 ++++++++*+++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.25 1.49 +++++++++++++++++*++ peak 8114 Upper HB THR 56 - H GLY 57 3.04 19 0.13 0.20 ++++++*+++++++++ +++ peak 819 Upper HB3 PRO 58 - H LEU 96 4.68 10 0.10 0.17 ++* + + + ++ + + peak 8254 Upper HB3 PRO 58 - QD2 LEU 96 4.17 12 0.40 0.73 +* ++++ + ++ +++ peak 1747 Upper HG2 PRO 58 - H GLN 59 3.61 8 0.10 0.18 + + +++*++ peak 836 Upper H GLN 59 - QD1 LEU 62 5.50 6 0.12 0.56 ++++* + peak 842 Upper H GLN 59 - HE21 GLN 359 5.50 14 0.13 0.24 +++++ +++ ++ *+++ peak 163 Upper HA GLN 59 - QE PHE 392 3.66 8 0.08 0.17 + ++ ++ +* + peak 111 Upper HA GLN 59 - QB ALA 416 4.70 20 0.37 0.42 ++++++++++++++++*+++ peak 2197 Upper QB GLN 59 - HA ALA 416 4.00 20 0.30 0.39 +++++++++++++*++++++ peak 3889 Upper QB GLN 59 - QB ALA 416 3.84 15 0.14 0.25 ++ + + +++ + ++++++* peak 1620 Upper HG2 GLN 59 - HE22 GLN 59 3.53 7 0.06 0.20 + + ++ *++ peak 828 Upper HG3 GLN 59 - H LEU 362 5.50 20 0.31 0.43 ++++++++++*+++++++++ peak 880 Upper HE21 GLN 59 - QB ALA 116 4.63 20 0.70 0.89 +++++++++++++++++*++ peak 850 Upper HE21 GLN 59 - H GLN 359 5.50 13 0.12 0.24 +++ + ++ ++++++* peak 163 Upper HE22 GLN 59 - HA GLU 360 5.50 13 0.21 0.40 *++ + ++ +++++++ peak 868 Upper HE22 GLN 59 - HA LEU 362 5.36 15 0.17 0.33 +++ + +++ +*+++++ + peak 1852 Upper HE22 GLN 59 - HG LEU 362 5.50 14 0.23 0.50 ++++ +++ ++ + * +++ peak 2298 Upper HA GLU 60 - HE22 GLN 359 5.50 14 0.24 0.46 +++++ +++ ++ +++* peak 868 Upper QB ALA 61 - QD PHE 392 3.23 20 2.15 2.40 +++++*++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 0.92 1.06 ++++++++++++++++++*+ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 14 0.51 0.76 ++ +++++++*+++ + peak 884 Upper H LEU 62 - HG LEU 65 5.50 9 0.10 0.25 + ++++*+ + + peak 2392 Upper H LEU 62 - HG3 GLN 359 5.50 20 0.31 0.44 ++*+++++++++++++++++ peak 880 Upper HA LEU 62 - QG1 VAL 88 3.24 8 0.13 0.83 + +++ + * + + peak 8202 Upper HA LEU 62 - HE22 GLN 359 5.36 14 0.16 0.31 +*+++ +++ ++ ++++ peak 1852 Upper HG LEU 62 - HE22 GLN 359 5.50 14 0.23 0.43 ++ +++++++*+++ + peak 2298 Upper HG LEU 62 - QG1 VAL 388 5.46 6 0.08 0.40 ++*++ + peak 2288 Upper HG LEU 62 - QD PHE 392 3.46 6 0.16 0.57 ++*++ + peak 145 Upper HG LEU 62 - HA PRO 412 4.48 6 0.37 1.31 *++++ + peak 2291 Upper HG LEU 62 - H GLU 413 5.26 6 0.22 0.80 +++*+ + peak 1270 Upper QD1 LEU 62 - H LEU 65 5.50 6 0.23 0.81 +++*+ + peak 2306 Upper QD1 LEU 62 - HB2 PHE 92 5.50 8 0.28 0.91 ++++* + + + peak 2277 Upper QD1 LEU 62 - HB3 PRO 112 5.32 9 0.13 0.44 *+ ++ ++ +++ peak 3791 Upper QD1 LEU 62 - QG1 VAL 388 3.34 18 0.66 1.31 ++++++ ++++*++++++ + peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 0.19 0.26 +++++++++++++++++*++ peak 8306 Upper QD1 LEU 62 - H GLU 413 4.66 14 0.62 0.91 *+ +++++++++++ + peak 1274 Upper QD1 LEU 62 - H ALA 416 4.22 19 0.69 1.01 ++ +++++*+++++++++++ peak 2305 Upper QD2 LEU 62 - HG LEU 65 4.50 11 0.32 0.71 + *+++++++ + + peak 2375 Upper QD2 LEU 62 - HA LEU 89 5.50 17 0.16 0.29 +++++* + ++++++ ++++ peak 3177 Upper QD2 LEU 62 - HB3 PHE 92 4.51 17 0.17 0.28 ++++*+++ +++++++ ++ peak 8212 Upper QD2 LEU 62 - QD PHE 92 4.64 20 0.31 0.43 +++*++++++++++++++++ peak 147 Upper QD2 LEU 62 - HB3 PRO 112 4.45 17 0.20 0.36 ++++ +++ ++ ++++*+++ peak 2265 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 0.83 1.09 +++++++++++*++++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.40 0.63 ++++++*+++++++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 0.36 0.57 ++*+++++++++++++++++ peak 8216 Upper H GLN 64 - HG LEU 65 5.50 11 0.42 0.87 + +++*++++ + + peak 2392 Upper HB2 LEU 65 - QG1 VAL 88 4.00 10 0.12 0.66 ++ ++ *+ + + ++ peak 2365 Upper HB3 LEU 65 - QG1 VAL 88 4.22 7 0.08 0.31 ++ * + + ++ peak 2364 Upper QD1 LEU 65 - HB2 PHE 92 4.40 7 0.07 0.27 + ++ +*+ + peak 8286 Upper QD1 LEU 65 - QD PHE 92 4.90 13 0.12 0.17 ++ + ++ +++ ++ * ++ peak 2395 Upper QD2 LEU 65 - HA PHE 92 4.36 12 0.12 0.25 ++ *+ +++ + + +++ peak 3229 Upper HA ARG 66 - QG2 VAL 88 3.82 20 0.30 0.43 +++++++*++++++++++++ peak 3844 Upper QB ARG 66 - QG2 VAL 88 3.35 18 0.20 0.33 ++++++++++++* +++++ peak 8231 Upper QG ARG 66 - HG2 GLU 67 5.50 18 0.16 0.23 * ++++++++++++++++ + peak 2456 Upper QG ARG 66 - HG3 GLU 67 5.50 19 0.13 0.19 +++++ +++++++++++*++ peak 2459 Upper QG ARG 66 - QG1 VAL 88 5.50 20 0.43 0.64 ++++++++*+++++++++++ peak 2412 Upper H GLU 67 - HG2 GLU 67 4.04 17 0.13 0.16 * ++++++++++++ +++ + peak 2472 Upper H GLU 67 - HG LEU 68 5.50 10 0.43 0.88 + +++ *+ +++ + peak 2527 Upper H GLU 67 - QD1 LEU 84 5.50 6 0.12 0.44 + * + + ++ peak 957 Upper HB2 CYS 69 - QG2 VAL 88 4.69 12 0.10 0.22 + ++ *++ + + + +++ peak 2561 Upper H GLN 71 - QD1 LEU 84 5.50 8 0.14 0.52 + ++ + + * ++ peak 277 Upper HZ2 TRP 72 - HA LEU 73 5.50 9 0.11 0.36 + + * ++ + +++ peak 1853 Upper HZ2 TRP 72 - QD2 LEU 86 4.70 18 0.15 0.24 ++++ +*++++++++++++ peak 193 Upper HD2 PRO 75 - QG2 VAL 77 5.50 6 0.18 0.61 + ++ * + + peak 1735 Upper H GLU 76 - QG1 VAL 77 4.82 6 0.26 0.88 * ++ + + + peak 2770 Upper H GLU 76 - QG2 VAL 77 4.03 6 0.06 0.22 + ++ + + * peak 1007 Upper HA GLU 76 - QG2 VAL 77 4.85 6 0.13 0.44 + ++ + + * peak 1736 Upper QB GLU 76 - QG1 VAL 77 4.65 6 0.23 0.79 + *+ + + + peak 3146 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.29 0.97 + *+ + + + peak 2779 Upper HG2 GLU 76 - QG2 VAL 77 4.12 6 0.10 0.35 + *+ + + + peak 2754 Upper HG3 GLU 76 - QG1 VAL 77 4.39 6 0.13 0.45 + *+ + + + peak 2753 Upper HG3 GLU 76 - QG2 VAL 77 3.95 6 0.11 0.37 + *+ + + + peak 8159 Upper H VAL 77 - QG1 VAL 77 3.75 6 0.04 0.16 + *+ + + + peak 2763 Upper HB VAL 77 - HB3 ARG 78 5.01 6 0.15 0.50 * ++ + + + peak 2776 Upper HB VAL 77 - HG2 ARG 78 3.89 6 0.14 0.47 + +* + + + peak 2775 Upper HB VAL 77 - HG3 ARG 78 5.30 6 0.11 0.39 + ++ + + * peak 2792 Upper HB2 ARG 78 - HG2 ARG 78 2.83 6 0.05 0.17 + ++ + + * peak 2816 Upper HG2 ARG 78 - H SER 79 4.48 6 0.05 0.19 + +* + + + peak 2830 Upper HA LYS 80 - HG LEU 84 3.77 6 0.26 1.00 + + + * ++ peak 812 Upper HG2 MET 83 - QD1 LEU 84 5.50 7 0.05 0.14 + ++ * + ++ peak 3002 Upper HG LEU 84 - H GLU 85 4.14 7 0.30 0.90 + * + + + ++ peak 3021 Upper QG1 VAL 88 - HG LEU 362 5.46 6 0.10 0.65 + * + + + + peak 2288 Upper QG1 VAL 88 - QD1 LEU 362 3.34 18 0.65 1.03 +++++++++++ ++++++* peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 0.79 0.96 ++++++++++++++*+++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 5.50 20 0.27 0.38 +++++++++++++++++++* peak 3788 Upper QD1 LEU 89 - HA GLU 90 3.86 6 0.24 0.90 ++ + + + * peak 1948 Upper HE21 GLN 91 - HA ALA 95 5.47 12 0.12 0.25 + ++++++ + *+ ++ peak 416 Upper QD PHE 92 - QD1 LEU 96 4.87 12 0.19 0.38 ++ ++++ + ++ ++* peak 148 Upper QD PHE 92 - QD2 LEU 96 5.50 11 0.16 0.33 ++ ++*+ + ++ ++ peak 153 Upper QD PHE 92 - QB ALA 361 3.23 20 2.15 2.32 +++++++++++++*++++++ peak 8145 Upper QD PHE 92 - HG LEU 362 3.46 6 0.15 0.57 + + + * + + peak 145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.38 0.65 +++++++++++++++++++* peak 8215 Upper QE PHE 92 - QD1 LEU 96 4.06 15 0.24 0.41 +*+++++++ ++ + +++ peak 165 Upper QE PHE 92 - QD2 LEU 96 4.52 13 0.14 0.27 +++++*+ + ++ + ++ peak 3349 Upper QE PHE 92 - HA GLN 359 3.66 9 0.09 0.21 ++ ++ * + + ++ peak 111 Upper QE PHE 92 - QB ALA 361 3.18 20 0.93 1.09 +++++++++++++*++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 0.36 0.63 +++++++++++++++++++* peak 8216 Upper HZ PHE 92 - HB VAL 119 3.74 12 0.45 1.14 + + ++ +++*+++ + peak 169 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 0.20 0.27 +++++++++++*++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.50 12 0.19 0.41 *+ ++++ + ++ +++ peak 3357 Upper HA LEU 93 - HG LEU 96 4.26 8 0.41 1.15 * + + ++++ + peak 3330 Upper HG LEU 93 - QD1 LEU 96 5.19 6 0.09 0.32 + ++ * + + peak 3265 Upper HG LEU 93 - QB ALA 115 4.00 9 0.18 0.50 + + ++ +++ * + peak 1684 Upper QD2 LEU 93 - QD1 LEU 96 3.05 18 0.25 0.55 +++++++++*++ ++++++ peak 3318 Upper QD2 LEU 93 - H VAL 104 5.50 6 0.05 0.24 * + ++ + + peak 3293 Upper QD2 LEU 93 - H GLN 105 5.50 8 0.08 0.31 * ++ +++ + + peak 3295 Upper QD2 LEU 93 - HD3 PRO 109 4.15 6 0.08 0.50 *+ ++ + + peak 3276 Upper H GLY 94 - QD1 LEU 96 5.48 11 0.09 0.24 *+ ++++ + + +++ peak 1181 Upper HA3 GLY 94 - HB2 LEU 96 5.50 16 0.20 0.34 +++ + +++++*+++++ + peak 3340 Upper QB ALA 95 - QD PHE 350 3.01 20 3.44 3.52 +++++++++++*++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 1.73 1.80 ++++++++++++++++*+++ peak 8164 Upper QB ALA 95 - QD TYR 352 3.67 20 1.05 1.11 ++++*+++++++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 0.94 1.00 +++++++++++++++++*++ peak 8176 Upper H LEU 96 - HA GLN 101 5.50 19 0.33 0.46 +++++++++++++ ++*+++ peak 3521 Upper HA LEU 96 - H GLN 101 5.50 20 0.21 0.35 +++++++++++++++++*++ peak 3367 Upper HB3 LEU 96 - QD TYR 352 5.50 20 0.65 0.79 ++++++++++++++++*+++ peak 8340 Upper HG LEU 96 - HA VAL 119 3.95 19 0.87 1.48 +++++*+++++++++++++ peak 3944 Upper QD1 LEU 96 - H ILE 100 4.83 7 0.08 0.26 + + * + ++ + peak 234 Upper QD1 LEU 96 - HG13 ILE 100 5.50 6 0.05 0.19 + + + + + * peak 3470 Upper QD1 LEU 96 - H VAL 119 4.75 8 0.17 0.56 + + * ++++ + peak 1314 Upper QD2 LEU 96 - HG2 PRO 97 5.50 13 0.20 0.37 +++ + * + +++++ ++ peak 3411 Upper QD2 LEU 96 - HG13 ILE 100 5.50 6 0.05 0.17 + + + *+ + peak 3471 Upper QD2 LEU 96 - HA GLN 101 5.50 8 0.06 0.17 + + + ++*+ + peak 3502 Upper QD2 LEU 96 - QQG VAL 104 4.71 10 0.12 0.29 * ++ +++ ++ + + peak 3592 Upper QD2 LEU 96 - H VAL 119 5.50 8 0.13 0.33 + + * ++++ + peak 3351 Upper QD2 LEU 96 - QD TYR 352 3.68 20 0.51 0.62 ++++++++++++++++*+++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 0.49 0.60 ++++++++++++++++*+++ peak 8182 Upper HA PRO 98 - HA GLN 101 5.50 6 0.08 0.21 ++ + * + + peak 3433 Upper H ILE 100 - HG3 GLN 101 5.50 14 0.12 0.16 +++++ ++ +*++ + + + peak 4102 Upper QG2 ILE 100 - H LEU 122 5.50 10 0.11 0.27 + + +*++ +++ + peak 1675 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.58 1.66 +++++++++++++*++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.22 1.38 +++++++++++++*++++++ peak 8114 Upper HA GLN 101 - HB VAL 104 3.76 11 0.21 0.55 + + ++ +++ * + + + peak 3508 Upper QB ALA 102 - HE21 GLN 105 5.50 6 0.09 0.22 + + ++ + * peak 1223 Upper H ARG 103 - HB VAL 104 5.50 6 0.14 0.57 ++ + + + * peak 3442 Upper H VAL 104 - HB2 LEU 118 5.50 6 0.08 0.27 +++ + * + peak 3907 Upper H GLN 107 - H ARG 108 3.50 6 0.26 0.88 + +* + + + peak 491 Upper H GLN 107 - HD2 PRO 109 5.50 12 0.13 0.26 ++ ++ ++ ++ + ++* peak 3707 Upper HA PRO 112 - HG LEU 362 4.48 6 0.37 1.34 + + + * + + peak 2291 Upper H GLU 113 - H ALA 115 4.15 8 0.08 0.18 + + *+ + + + + peak 564 Upper H GLU 113 - H ALA 116 4.88 6 0.07 0.13 *+ + + ++ peak 544 Upper H GLU 113 - HG LEU 362 5.26 6 0.23 0.84 + + + + * + peak 1270 Upper H GLU 113 - QD1 LEU 362 4.66 14 0.63 1.03 ++++ +++ ++ + * +++ peak 1274 Upper HA GLU 114 - H ALA 116 4.06 14 0.16 0.26 ++++ +++ ++ + + +*+ peak 3874 Upper QB GLU 114 - QD2 LEU 118 4.52 16 0.12 0.19 +++ +++++++*++ + ++ peak 3880 Upper H ALA 116 - QD1 LEU 362 4.22 19 0.70 1.04 +++++*+++++ ++++++++ peak 2305 Upper HA ALA 116 - HB VAL 119 3.56 8 0.40 1.05 + +++* ++ + peak 3960 Upper HA ALA 116 - QB GLN 359 4.00 20 0.29 0.37 +*++++++++++++++++++ peak 3889 Upper QB ALA 116 - HA GLN 359 4.70 20 0.36 0.45 +*++++++++++++++++++ peak 2197 Upper QB ALA 116 - QB GLN 359 3.84 16 0.14 0.26 *++ ++++ ++++ +++++ peak 1620 Upper QB ALA 117 - HB3 ASP 120 5.13 7 0.10 1.00 + ++ + *++ peak 1487 Upper H LEU 118 - QG2 VAL 119 4.48 12 0.66 1.15 ++* ++++++ + ++ peak 8191 Upper HA LEU 118 - HG LEU 122 5.01 9 0.12 0.38 ++* + + ++++ peak 4004 Upper HB VAL 119 - HB2 ASP 120 3.94 18 0.38 0.75 + *++++++++++++++++ peak 1489 Upper QG1 VAL 119 - H LEU 122 5.50 19 0.18 0.26 +++++++++ *+++++++++ peak 1328 Upper QG2 VAL 119 - QD ARG 123 4.74 7 0.12 0.47 * ++++ + + peak 1756 Upper QG2 VAL 119 - HD2 PRO 358 5.09 8 0.31 0.84 + +++* ++ + peak 1760 Upper QG2 VAL 119 - HD3 PRO 358 4.08 8 0.24 0.70 + +++* ++ + peak 1758 Upper H ASP 120 - QD ARG 123 5.34 12 0.19 0.44 +++++++++ + *+ peak 4042 Upper QA GLY 121 - HB3 LEU 122 5.50 7 0.08 0.13 ++ ++ + +* peak 3608 Upper H ARG 344 - HD1 TRP 372 5.50 14 0.13 0.28 +++ ++++ *+++ ++ + peak 647 Upper HA ARG 344 - H ARG 346 4.72 6 0.04 0.15 * ++ + + + peak 663 Upper HG LEU 345 - H ARG 346 3.97 9 0.32 0.82 + ++ ++* + + + peak 666 Upper QD PHE 347 - H ARG 370 5.50 17 0.18 0.32 +++ + ++++++*++++++ peak 97 Upper QE PHE 347 - QG1 VAL 388 5.50 9 0.11 0.30 ++ + +* + +++ peak 2762 Upper QE PHE 347 - QG2 VAL 388 4.00 11 0.13 0.31 +++++++ + + * + peak 3164 Upper QE PHE 347 - H PHE 392 5.50 18 0.21 0.35 + +++++++++*+++ ++++ peak 425 Upper HZ PHE 347 - H CYS 369 5.50 20 0.20 0.30 ++++++++++++++*+++++ peak 86 Upper HZ PHE 347 - HA CYS 369 5.50 20 0.27 0.55 +++++++++++*++++++++ peak 285 Upper HZ PHE 347 - HB2 LEU 387 4.03 9 0.09 0.24 ++ ++ ++ + + * peak 290 Upper HZ PHE 347 - HG LEU 387 3.81 6 0.10 0.37 + ++ + + * peak 296 Upper H PHE 350 - QD2 LEU 365 4.81 12 0.12 0.21 +*+ + + ++ ++ +++ peak 779 Upper HA PHE 350 - HB3 HIS 351 5.50 20 0.17 0.18 ++++++++*+++++++++++ peak 2038 Upper HB2 PHE 350 - QD2 LEU 365 4.14 19 0.20 0.26 +++++++++++ +++*++++ peak 2359 Upper HB3 PHE 350 - QD1 LEU 368 5.02 6 0.14 0.55 + + + + +* peak 2009 Upper QE PHE 350 - QB ALA 395 4.59 19 0.29 0.44 +++++++++*+++ ++++++ peak 1723 Upper HE1 HIS 351 - HB2 GLU 353 4.47 19 0.19 0.47 ++++++++++++++++* ++ peak 259 Upper QB TYR 352 - QB ALA 361 5.15 11 0.13 0.27 ++++ + ++ + +*+ peak 1602 Upper QD TYR 352 - HA GLU 354 4.90 8 0.06 0.14 + +++ + ++ * peak 2184 Upper QD TYR 352 - H THR 356 5.15 20 0.33 0.50 +++++++++++++*++++++ peak 63 Upper QD TYR 352 - QG2 THR 356 4.43 19 0.16 0.27 ++++ +++++*+++++++++ peak 248 Upper QD TYR 352 - QB ALA 395 4.48 10 0.11 0.16 ++ ++*+ ++ ++ peak 246 Upper QD TYR 352 - HB3 LEU 396 4.15 13 0.11 0.27 ++++ +++++ *+ ++ peak 249 Upper QD TYR 352 - QD1 LEU 396 5.40 10 0.11 0.24 ++ +++ ++ + *+ peak 251 Upper QE TYR 352 - QG GLU 353 5.50 9 0.10 0.17 + ++ + +++ +* peak 2087 Upper QE TYR 352 - HA GLU 354 4.21 14 0.18 0.35 ++ ++++++ +*++ ++ peak 2183 Upper QE TYR 352 - H GLY 357 5.05 20 0.38 0.52 +++++++++++++*++++++ peak 400 Upper QE TYR 352 - HB3 LEU 396 3.94 20 0.18 0.26 ++++++++++*+++++++++ peak 237 Upper QE TYR 352 - QD1 LEU 396 5.50 20 0.37 0.51 ++++++++++++*+++++++ peak 239 Upper QE TYR 352 - QD2 LEU 396 4.26 19 0.19 0.24 +*+++++++++++++++ ++ peak 240 Upper HB THR 356 - H GLY 357 3.04 16 0.13 0.21 ++ +++++++ +*++ +++ peak 819 Upper HB3 PRO 358 - H LEU 396 4.68 12 0.12 0.24 * + +++++ ++++ + peak 8254 Upper HB3 PRO 358 - QD2 LEU 396 4.17 10 0.34 0.70 +* +++ ++ + ++ peak 1747 Upper HG2 PRO 358 - H GLN 359 3.61 9 0.09 0.17 + + ++ +++ *+ peak 836 Upper H GLN 359 - QD1 LEU 362 5.50 6 0.12 0.56 + + + + + * peak 842 Upper HG2 GLN 359 - HE22 GLN 359 3.53 6 0.06 0.20 + + *++ + peak 828 Upper HE21 GLN 359 - QB ALA 416 4.63 20 0.69 0.86 ++++++++++++*+++++++ peak 850 Upper H LEU 362 - HG LEU 362 3.15 14 0.51 0.82 ++++ +++ ++ + * +++ peak 884 Upper H LEU 362 - HG LEU 365 5.50 7 0.07 0.23 ++ *+ + + + peak 2392 Upper HA LEU 362 - QG1 VAL 388 3.24 11 0.18 0.80 + +++++ + * + + + peak 8202 Upper HG LEU 362 - QD1 LEU 365 5.36 6 0.04 0.18 +* + + ++ peak 2280 Upper QD1 LEU 362 - H LEU 365 5.50 6 0.23 0.81 + + + + + * peak 2306 Upper QD1 LEU 362 - HB2 PHE 392 5.50 6 0.28 1.10 + + + * + + peak 2277 Upper QD1 LEU 362 - HB3 PRO 412 5.32 8 0.14 0.50 + + +++* + + peak 3791 Upper QD2 LEU 362 - HG LEU 365 4.50 9 0.28 0.80 ++ ++ +* + ++ peak 2375 Upper QD2 LEU 362 - HA LEU 389 5.50 16 0.17 0.46 +++++++ *++ ++ ++++ peak 3177 Upper QD2 LEU 362 - HB3 PHE 392 4.51 15 0.17 0.33 ++++++ *+ ++ +++++ peak 8212 Upper QD2 LEU 362 - QD PHE 392 4.64 20 0.30 0.48 ++++++++*+++++++++++ peak 147 Upper QD2 LEU 362 - HB3 PRO 412 4.45 15 0.19 0.40 +++ + +*++ ++++++ + peak 2265 Upper H GLN 364 - HG LEU 365 5.50 9 0.35 0.95 ++ ++ ++ * ++ peak 2392 Upper HA GLN 364 - HG3 GLU 367 4.69 9 0.09 0.19 ++ + ++ *+ ++ peak 2453 Upper HB2 LEU 365 - QG1 VAL 388 4.00 15 0.17 0.61 +++++++++ * ++++ + peak 2365 Upper HB3 LEU 365 - QG1 VAL 388 4.22 9 0.11 0.29 + *+ ++ ++++ peak 2364 Upper QD1 LEU 365 - HB2 PHE 392 4.40 6 0.07 0.24 ++ ++ + * peak 8286 Upper QD1 LEU 365 - QD PHE 392 4.90 13 0.13 0.22 + + ++++ ++ +*+++ peak 2395 Upper QD2 LEU 365 - HA PHE 392 4.36 14 0.13 0.21 + + ++++++ ++ +++* peak 3229 Upper HA ARG 366 - QG2 VAL 388 3.82 20 0.28 0.43 ++++++++*+++++++++++ peak 3844 Upper QB ARG 366 - QG2 VAL 388 3.35 19 0.20 0.34 ++++++++*+++++ +++++ peak 8231 Upper QG ARG 366 - HG2 GLU 367 5.50 16 0.14 0.21 ++++ ++++++++ + + *+ peak 2456 Upper QG ARG 366 - HG3 GLU 367 5.50 16 0.12 0.21 ++++ + *++++++ +++ + peak 2459 Upper QG ARG 366 - QG1 VAL 388 5.50 20 0.45 0.73 ++++++++++++++*+++++ peak 2412 Upper H GLU 367 - HG2 GLU 367 4.04 15 0.11 0.16 ++*+ +++ ++++ + + ++ peak 2472 Upper H GLU 367 - HG LEU 368 5.50 6 0.26 0.88 + + + * ++ peak 2527 Upper H GLU 367 - QD1 LEU 384 5.50 9 0.19 0.56 + ++ ++ +++ * peak 957 Upper QD2 LEU 368 - H ARG 370 5.50 6 0.06 0.16 ++ + + +* peak 991 Upper HB2 CYS 369 - QG2 VAL 388 4.69 7 0.08 0.19 + * +++++ peak 2561 Upper H GLN 371 - QD1 LEU 384 5.50 11 0.19 0.49 + ++ ++++++* + peak 277 Upper HZ2 TRP 372 - HA LEU 373 5.50 10 0.15 0.41 + + * ++ + ++++ peak 1853 Upper HZ2 TRP 372 - QD2 LEU 386 4.70 16 0.15 0.24 ++*++++ + + +++++++ peak 193 Upper HH2 TRP 372 - HG LEU 387 4.15 6 0.22 0.84 + *+ + + + peak 203 Upper QD1 LEU 373 - H LEU 386 5.50 6 0.06 0.26 + ++ + + * peak 1100 Upper QD1 LEU 373 - HG LEU 387 3.30 6 0.16 0.59 + *+ + + + peak 1921 Upper QD2 LEU 373 - H LEU 386 5.16 6 0.05 0.21 * ++ + + + peak 1101 Upper HD2 PRO 375 - QG2 VAL 377 5.50 8 0.20 0.61 * + + + + +++ peak 1735 Upper HD3 PRO 375 - QD1 LEU 384 3.84 7 0.08 0.39 ++ + +* + + peak 8315 Upper H GLU 376 - QG1 VAL 377 4.82 7 0.30 0.89 * + + + +++ peak 2770 Upper H GLU 376 - QG2 VAL 377 4.03 6 0.05 0.20 * + + + ++ peak 1007 Upper HA GLU 376 - QG2 VAL 377 4.85 7 0.16 0.47 + + + + +*+ peak 1736 Upper QB GLU 376 - QG1 VAL 377 4.65 7 0.27 0.81 + + + + *++ peak 3146 Upper HG2 GLU 376 - QG1 VAL 377 3.10 7 0.33 0.97 + + + + *++ peak 2779 Upper HG2 GLU 376 - QG2 VAL 377 4.12 7 0.11 0.36 + * + + +++ peak 2754 Upper HG3 GLU 376 - QG1 VAL 377 4.39 7 0.15 0.45 + + + + ++* peak 2753 Upper HG3 GLU 376 - QG2 VAL 377 3.95 7 0.11 0.36 + * + + +++ peak 8159 Upper H VAL 377 - QG1 VAL 377 3.75 6 0.05 0.15 + + + + +* peak 2763 Upper HB VAL 377 - HB3 ARG 378 5.01 7 0.18 0.61 + + + + ++* peak 2776 Upper HB VAL 377 - HG2 ARG 378 3.89 7 0.15 0.47 + + + + +*+ peak 2775 Upper HB VAL 377 - HG3 ARG 378 5.30 7 0.13 0.48 + + + + ++* peak 2792 Upper HB2 ARG 378 - HG2 ARG 378 2.83 7 0.06 0.18 + + + + ++* peak 2816 Upper HG2 ARG 378 - H SER 379 4.48 7 0.06 0.22 + + + + ++* peak 2830 Upper HA LYS 380 - HG LEU 384 3.77 9 0.40 0.99 + ++ ++ *++ + peak 812 Upper HG LEU 384 - H GLU 385 4.14 9 0.40 0.99 + ++ *+ +++ + peak 3021 Upper QD2 LEU 387 - H GLU 390 5.50 7 0.23 0.80 ++ ++ * + + peak 3092 Upper QG2 VAL 388 - HG2 PRO 412 5.50 20 0.25 0.35 +++++++++*++++++++++ peak 3788 Upper HE21 GLN 391 - HA ALA 395 5.47 14 0.13 0.34 + + +*++++ ++++++ peak 416 Upper QD PHE 392 - QD1 LEU 396 4.87 10 0.15 0.38 ++ *++ ++ + ++ peak 148 Upper QD PHE 392 - QD2 LEU 396 5.50 10 0.13 0.34 ++ +++ ++ + +* peak 153 Upper QE PHE 392 - QD1 LEU 396 4.06 15 0.22 0.38 ++ +*++ + ++++++ ++ peak 165 Upper QE PHE 392 - QD2 LEU 396 4.52 14 0.14 0.27 ++ +++ + ++++++ +* peak 3349 Upper HZ PHE 392 - HB VAL 419 3.74 10 0.32 1.14 ++ + +*+ +++ + peak 169 Upper H LEU 393 - QD1 LEU 396 5.50 10 0.16 0.40 ++ +++ ++ + +* peak 3357 Upper HA LEU 393 - HG LEU 396 4.26 10 0.53 1.17 ++ +*+++ ++ + peak 3330 Upper HG LEU 393 - QB ALA 415 4.00 8 0.16 0.56 + ++++ + *+ peak 1684 Upper QD2 LEU 393 - QD1 LEU 396 3.05 15 0.22 0.50 +++++++++++ + +*+ peak 3318 Upper QD2 LEU 393 - H GLN 405 5.50 8 0.08 0.29 + ++++ + +* peak 3295 Upper H GLY 394 - QD1 LEU 396 5.48 9 0.08 0.23 + +*+ ++ + ++ peak 1181 Upper HA3 GLY 394 - HB2 LEU 396 5.50 18 0.22 0.38 ++++ ++++*+++ ++++++ peak 3340 Upper H LEU 396 - HA GLN 401 5.50 18 0.30 0.47 +++++++++++++ ++* ++ peak 3521 Upper HA LEU 396 - H GLN 401 5.50 20 0.22 0.29 ++++++++++++++++*+++ peak 3367 Upper HG LEU 396 - HA VAL 419 3.95 19 0.78 1.50 ++ ++++++++++*++++++ peak 3944 Upper QD1 LEU 396 - H ILE 400 4.83 10 0.10 0.24 ++ ++*++ ++ + peak 234 Upper QD1 LEU 396 - QG2 ILE 400 2.91 6 0.05 0.14 * +++ + + peak 3317 Upper QD1 LEU 396 - HG13 ILE 400 5.50 8 0.06 0.19 ++ +++*+ + peak 3470 Upper QD1 LEU 396 - H VAL 404 5.23 6 0.05 0.16 + +*+ + + peak 3356 Upper QD1 LEU 396 - HB VAL 404 4.72 6 0.06 0.21 + + + + + * peak 3589 Upper QD1 LEU 396 - H VAL 419 4.75 10 0.22 0.57 ++ +*+++ ++ + peak 1314 Upper QD2 LEU 396 - HG2 PRO 397 5.50 15 0.22 0.37 +++++ ++*++++ ++ + peak 3411 Upper QD2 LEU 396 - HG13 ILE 400 5.50 8 0.06 0.16 ++ +++ + *+ peak 3471 Upper QD2 LEU 396 - HA GLN 401 5.50 11 0.09 0.22 ++ +++++ +++* peak 3502 Upper QD2 LEU 396 - QQG VAL 404 4.71 11 0.12 0.28 ++*+ ++++ + + + peak 3592 Upper QD2 LEU 396 - H VAL 419 5.50 11 0.17 0.32 ++ + +++++ *+ + peak 3351 Upper H ILE 400 - HG3 GLN 401 5.50 13 0.11 0.20 +++++ ++ +++++ * peak 4102 Upper QG2 ILE 400 - H LEU 422 5.50 8 0.09 0.30 ++ + +*++ + peak 1675 Upper HA GLN 401 - HB VAL 404 3.76 12 0.25 0.61 + + ++++ *+ + +++ peak 3508 Upper QB ALA 402 - HE21 GLN 405 5.50 6 0.08 0.26 + + ++ * + peak 1223 Upper H ARG 403 - HB VAL 404 5.50 7 0.16 0.48 + + + *+ + + peak 3442 Upper HB2 ARG 403 - HE21 GLN 407 4.48 6 0.08 0.32 + + + *++ peak 1238 Upper H VAL 404 - HB2 LEU 418 5.50 6 0.07 0.24 *+++ + + peak 3907 Upper H GLN 407 - H ARG 408 3.50 6 0.26 0.89 + ++ * + + peak 491 Upper H GLN 407 - HD2 PRO 409 5.50 11 0.11 0.28 +* ++ + ++ +++ + peak 3707 Upper HA GLN 407 - HE21 GLN 407 4.50 6 0.06 0.17 +++ * ++ peak 508 Upper H GLU 413 - H ALA 415 4.15 8 0.09 0.17 ++++ ++ * + peak 564 Upper H GLU 413 - H ALA 416 4.88 7 0.07 0.14 ++ + + +*+ peak 544 Upper HA GLU 414 - H ALA 416 4.06 14 0.16 0.28 ++ +++++*+++++ + peak 3874 Upper QB GLU 414 - QD2 LEU 418 4.52 15 0.13 0.18 +++++++ ++*+++ + + peak 3880 Upper H LEU 418 - QG2 VAL 419 4.48 15 0.84 1.21 + ++++++ *++++ + ++ peak 8191 Upper HA LEU 418 - HG LEU 422 5.01 10 0.12 0.37 ++ + ++ * ++++ peak 4004 Upper HB VAL 419 - HB2 ASP 420 3.94 17 0.28 0.80 ++* ++++++ ++ ++++++ peak 1489 Upper QG1 VAL 419 - H LEU 422 5.50 19 0.16 0.21 ++++++++++++*++++ ++ peak 1328 Upper H ASP 420 - QD ARG 423 5.34 13 0.19 0.36 + ++*+++ +++ + + + peak 4042 VdW CG PHE 47 - C PHE 47 2.90 16 0.21 0.23 + +++++++++++ *+++ VdW O PHE 47 - CG GLN 91 2.90 15 0.23 0.29 *+ + +++++ +++++++ VdW HA ARG 48 - HG2 GLN 91 2.00 19 0.30 0.39 ++++++++*++++ ++++++ VdW HE1 PHE 50 - O PRO 58 2.30 7 0.13 0.32 + +*+ + + + VdW CZ PHE 50 - O GLY 57 2.90 17 0.24 0.29 ++++ ++++++++++*++ VdW HZ PHE 50 - O GLY 57 2.30 10 0.18 0.26 +++ + ++ ++ + * VdW HZ PHE 50 - HB3 GLU 60 2.00 9 0.19 0.35 ++ +* + ++++ VdW HZ PHE 50 - CG GLU 60 2.60 11 0.20 0.28 + ++ + + + + ++ *+ VdW HE2 PHE 50 - O PRO 58 2.30 10 0.13 0.33 + ++ + + ++ + *+ VdW CG HIS 51 - O HIS 51 2.90 20 0.41 0.45 +++++++++++++*++++++ VdW HB2 TYR 52 - CA PRO 58 2.60 9 0.20 0.24 + ++ +* +++ + VdW HB2 TYR 52 - HA PRO 58 2.00 20 0.41 0.45 ++++++++++++++++++*+ VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 +++++++*++++++++++++ VdW CD1 TYR 52 - HB3 PRO 58 2.60 10 0.12 0.28 + ++ ++ ++ *+ + VdW CZ TYR 52 - OH TYR 352 2.90 7 0.19 0.22 + ++* + + + VdW CD2 TYR 52 - C TYR 52 3.10 7 0.11 0.26 ++ + * + + + VdW CD2 TYR 52 - HB3 PRO 58 2.60 8 0.12 0.30 +* + ++ + + + VdW OH TYR 52 - CZ TYR 352 2.90 7 0.19 0.22 *++ + +++ VdW OH TYR 52 - OH TYR 352 2.60 20 0.74 0.79 ++++++++++++++*+++++ VdW C GLU 53 - N ALA 55 2.95 8 0.13 0.23 + + + + + +* + VdW C GLU 53 - H ALA 55 2.45 13 0.20 0.32 + ++ +++++* +++ + VdW O GLU 53 - N GLY 57 2.75 19 0.35 0.42 + +++++*++++++++++++ VdW O GLU 53 - H GLY 57 1.80 13 0.27 0.40 * ++ ++++++ +++ + VdW CG2 THR 56 - C THR 56 2.90 20 0.31 0.32 ++++++++*+++++++++++ VdW HA2 GLY 57 - CD PRO 58 2.60 20 0.28 0.30 +++++++++++++++++*++ VdW HA3 GLY 57 - CG1 VAL 419 2.60 9 0.17 0.38 + +++ ++ * ++ VdW CB PRO 58 - HA ALA 95 2.60 20 0.29 0.34 ++++++++*+++++++++++ VdW HB2 PRO 58 - HA ALA 95 2.00 9 0.19 0.28 ++ + ++++*+ VdW HG2 PRO 58 - CB ALA 395 2.60 20 0.51 0.57 +++++++++++++++++*++ VdW HG2 PRO 58 - HB1 ALA 395 2.00 8 0.16 0.33 ++ * ++ + ++ VdW HG2 PRO 58 - HB2 ALA 395 2.00 6 0.15 0.41 + + + *++ VdW HG2 PRO 58 - HB3 ALA 395 2.00 6 0.13 0.33 + + ++ + * VdW HD2 PRO 58 - CD1 LEU 396 2.60 10 0.26 0.54 ++ +++++ +* + VdW HD2 PRO 58 - CD2 LEU 396 2.60 10 0.14 0.32 ++ +++ ++ * ++ VdW HA GLN 59 - NE2 GLN 359 2.45 12 0.27 0.46 + + + +++ +++++* VdW CB GLN 59 - CB ALA 395 3.20 20 0.28 0.34 ++++++++++++++++*+++ VdW CB GLN 59 - HB2 ALA 395 2.60 6 0.09 0.31 + + ++ + * VdW HB2 GLN 59 - CB ALA 395 2.60 20 0.53 0.76 +++++++++++++++++++* VdW HB2 GLN 59 - HB1 ALA 395 2.00 6 0.15 0.60 + + + ++* VdW HB2 GLN 59 - HB2 ALA 395 2.00 9 0.20 0.52 + +++ + +* + + VdW HB2 GLN 59 - HB3 ALA 395 2.00 12 0.26 0.53 ++ * +++ + ++ +++ VdW HB3 GLN 59 - CE1 PHE 392 2.60 6 0.12 0.43 + + + + *+ VdW HB3 GLN 59 - CZ PHE 392 2.60 6 0.19 0.30 + + +* + + VdW HB3 GLN 59 - CE2 PHE 392 2.60 7 0.17 0.53 + * + + ++ + VdW CG GLN 59 - CB ALA 395 3.20 12 0.18 0.35 +++ + ++ ++++ +* VdW HG2 GLN 59 - CG PHE 392 2.60 6 0.08 0.30 + ++ ++* VdW HG3 GLN 59 - O PHE 392 2.30 11 0.16 0.32 ++ + + ++*++++ VdW OE1 GLN 59 - CB ALA 395 2.90 6 0.09 0.38 + + + ++* VdW NE2 GLN 59 - HA GLN 359 2.45 15 0.29 0.46 + ++++ ++*++ ++ +++ VdW HE22 GLN 59 - CD2 LEU 362 2.55 6 0.10 0.29 +++ *+ + VdW C GLN 59 - N ALA 61 2.95 20 0.32 0.35 ++++++++++++++++*+++ VdW C GLN 59 - H ALA 61 2.45 20 0.39 0.42 ++++++++++++++++*+++ VdW O GLN 59 - N ALA 61 2.75 20 0.41 0.46 ++++++++++++++++*+++ VdW O GLN 59 - CE1 PHE 392 2.90 9 0.14 0.38 + + *+ + + +++ VdW O GLN 59 - HE1 PHE 392 2.30 9 0.20 0.50 + + *+ + + +++ VdW O GLN 59 - CE2 PHE 392 2.90 11 0.16 0.36 + + +++ + *+ + ++ VdW O GLN 59 - HE2 PHE 392 2.30 11 0.24 0.51 + + +++ + *+ + ++ VdW HA GLU 60 - HZ PHE 392 2.00 12 0.21 0.30 ++ +*+++ +++ ++ VdW HA GLU 60 - CB ALA 416 2.60 20 0.30 0.39 ++*+++++++++++++++++ VdW CG GLU 60 - C GLU 60 2.90 10 0.19 0.21 ++++ ++ * + + + VdW HG3 GLU 60 - C GLU 60 2.50 18 0.32 0.41 ++++ +*+ +++++++++++ VdW C ALA 61 - HG LEU 65 2.50 9 0.17 0.39 ++++ +* + ++ VdW O ALA 61 - C LEU 62 2.80 20 0.27 0.35 ++++++++++++++*+++++ VdW O ALA 61 - N ALA 63 2.75 10 0.18 0.27 ++ + ++++*+ + VdW O ALA 61 - N GLN 64 2.75 18 0.27 0.39 +++++++ +++++++++*+ VdW O ALA 61 - N LEU 65 2.75 20 0.26 0.31 +++++++++++*++++++++ VdW O ALA 61 - H LEU 65 1.80 19 0.25 0.31 +++++++++++*++++++ + VdW O ALA 61 - HG LEU 65 2.30 9 0.13 0.37 ++++ *+ + ++ VdW CD2 LEU 62 - HE22 GLN 359 2.55 8 0.10 0.29 + +*+ + ++ + VdW N LEU 65 - CD1 LEU 65 3.05 9 0.12 0.30 + ++++++ + * VdW N LEU 65 - CD2 LEU 65 3.05 7 0.11 0.31 +++ ++ * + VdW CA LEU 65 - CD1 LEU 65 3.00 9 0.12 0.23 + +*++++ + + VdW CD1 LEU 65 - HA VAL 88 2.60 9 0.12 0.32 ++++ ++ + +* VdW CD1 LEU 65 - HB3 GLN 91 2.60 9 0.17 0.29 ++*+ ++ + ++ VdW O LEU 65 - SG CYS 69 3.10 12 0.20 0.30 + + +++ *++ + +++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.31 0.41 +++++*++++++++++++++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.29 0.31 +++++++++++++++++*++ VdW C ARG 74 - H GLU 76 2.45 11 0.20 0.23 + *+ +++++ + ++ VdW O LYS 80 - N LEU 84 2.75 19 0.24 0.30 ++++++++++++*+ +++++ VdW O LYS 80 - HB2 LEU 84 2.30 6 0.10 0.37 + + + * ++ VdW O MET 83 - N LEU 86 2.75 7 0.16 0.24 + ++ * + ++ VdW O MET 83 - CD1 LEU 87 2.90 17 0.27 0.36 *++++ ++ +++ +++++++ VdW O LEU 84 - HD11 LEU 87 2.30 6 0.07 0.25 + + *+ + + VdW O LEU 84 - HD13 LEU 87 2.30 7 0.09 0.32 + ++*++ + VdW O LEU 84 - CG2 VAL 88 2.90 12 0.20 0.30 + ++ ++ + + + *+++ VdW HG LEU 86 - N LEU 87 2.45 16 0.28 0.37 *+++ ++ +++ +++++++ VdW N LEU 87 - CD1 LEU 87 3.05 11 0.18 0.29 + ++ +* + + + +++ VdW H LEU 87 - CD1 LEU 87 2.55 17 0.41 0.58 +++++ +* +++ +++++++ VdW CD2 LEU 87 - C LEU 87 3.10 17 0.33 0.45 +++++ ++ +++ +*+++++ VdW CD2 LEU 87 - N VAL 88 3.05 17 0.25 0.34 *++++ ++ +++ +++++++ VdW HD21 LEU 87 - C LEU 87 2.50 8 0.12 0.34 * + + + ++ + + VdW HD22 LEU 87 - N VAL 88 2.45 8 0.11 0.39 + + + + *+ + + VdW CG1 VAL 88 - C VAL 88 2.90 17 0.22 0.26 ++*++ ++ +++ +++++++ VdW HB2 LEU 89 - C SER 111 2.50 19 0.37 0.47 ++++++++ ++*++++++++ VdW HB2 LEU 89 - N PRO 112 2.45 6 0.16 0.35 *+ + + ++ VdW CD1 LEU 89 - N GLU 90 3.05 14 0.24 0.42 +++ + ++++* +++++ VdW CD1 LEU 89 - H GLU 90 2.55 10 0.15 0.24 ++ + *+++ + ++ VdW CD2 LEU 89 - C LEU 89 3.10 14 0.32 0.52 +++ + *++++ +++++ VdW NE2 GLN 91 - O GLN 91 2.75 20 0.33 0.36 ++++++++++++++++*+++ VdW O GLN 91 - N GLY 94 2.75 15 0.21 0.23 +*++ ++ ++ ++++++ + VdW O GLN 91 - H GLY 94 1.80 7 0.19 0.23 * + ++++ + VdW CD1 PHE 92 - C PHE 92 3.10 11 0.25 0.50 ++++ * ++++ + + VdW HD1 PHE 92 - N LEU 93 2.45 9 0.15 0.36 ++*+ + +++ + VdW CE1 PHE 92 - HB3 GLN 359 2.60 8 0.17 0.59 + ++ ++ ++ * VdW CE1 PHE 92 - O GLN 359 2.90 9 0.13 0.35 + + ++ ++ +* + VdW HE1 PHE 92 - O GLN 359 2.30 9 0.20 0.48 + + ++ ++ ++ * VdW CZ PHE 92 - HA ALA 116 2.60 10 0.21 0.34 + ++ + ++++ +* VdW CZ PHE 92 - HB3 GLN 359 2.60 9 0.20 0.34 + + * ++ + +++ VdW HZ PHE 92 - HA ALA 116 2.00 20 0.30 0.38 ++++++++++++*+++++++ VdW HZ PHE 92 - HA GLU 360 2.00 12 0.20 0.30 ++ * + + +++ ++++ VdW CE2 PHE 92 - HB3 GLN 359 2.60 6 0.14 0.47 +++* + + VdW CE2 PHE 92 - O GLN 359 2.90 11 0.16 0.33 *+++ + ++++ + + VdW HE2 PHE 92 - O GLN 359 2.30 11 0.24 0.47 ++++ + ++++ * + VdW CD2 PHE 92 - C PHE 92 3.10 9 0.20 0.49 + * ++ ++ ++ + VdW HD2 PHE 92 - N LEU 93 2.45 6 0.11 0.33 + * ++ ++ VdW O PHE 92 - HG3 GLN 359 2.30 12 0.18 0.34 ++*++ +++ + +++ VdW C LEU 93 - H ALA 95 2.45 7 0.18 0.23 + +++* + + VdW O LEU 93 - CD2 LEU 96 2.90 8 0.15 0.45 + + + +*++ + VdW CB ALA 95 - HG2 PRO 358 2.60 20 0.50 0.55 ++++++++++++*+++++++ VdW CB ALA 95 - CB GLN 359 3.20 20 0.28 0.32 +++++++++*++++++++++ VdW CB ALA 95 - HB2 GLN 359 2.60 20 0.50 0.77 *+++++++++++++++++++ VdW CB ALA 95 - CG GLN 359 3.20 14 0.21 0.35 +++++ +++ ++ *+++ VdW HB1 ALA 95 - HG2 PRO 358 2.00 7 0.14 0.39 ++ + + * ++ VdW HB1 ALA 95 - HB2 GLN 359 2.00 9 0.21 0.57 ++ + ++* +++ VdW HB2 ALA 95 - HG2 PRO 358 2.00 7 0.15 0.38 + + + * +++ VdW HB2 ALA 95 - HB2 GLN 359 2.00 8 0.18 0.55 * + + + ++ ++ VdW HB3 ALA 95 - HG2 PRO 358 2.00 6 0.14 0.41 + + + + + * VdW HB3 ALA 95 - HB2 GLN 359 2.00 9 0.19 0.50 ++ ++ + +* ++ VdW N LEU 96 - HG LEU 96 2.45 12 0.17 0.30 ++ ++++ + *+ +++ VdW N LEU 96 - CD1 LEU 96 3.05 8 0.11 0.31 + + + ++*+ + VdW N LEU 96 - CD2 LEU 96 3.05 8 0.11 0.31 + + + ++++ * VdW H LEU 96 - CD2 LEU 96 2.55 8 0.12 0.31 * + + ++++ + VdW HB2 LEU 96 - HB ILE 100 2.00 8 0.18 0.29 + * + ++++ + VdW CD1 LEU 96 - HD2 PRO 358 2.60 8 0.21 0.59 + + + +*++ + VdW CD2 LEU 96 - HD2 PRO 358 2.60 12 0.16 0.30 ++ ++++ + ++ +*+ VdW CB PRO 97 - CD PRO 98 3.20 17 0.22 0.25 ++++ +++ ++++*++ +++ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.30 0.34 +++++++++++++*++++++ VdW HB2 PRO 97 - CD PRO 98 2.60 12 0.21 0.26 + ++ ++++*++ + + VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.41 0.47 +++++++++++++*++++++ VdW HA GLN 101 - CG2 VAL 104 2.60 6 0.13 0.52 ++ * + + + VdW HG2 PRO 109 - H GLY 110 1.95 7 0.17 0.28 + ++ *+ + + VdW CB ALA 116 - HA GLU 360 2.60 18 0.30 0.48 + +++++++++++*++ +++ VdW HB2 ALA 116 - O GLU 360 2.30 6 0.12 0.32 ++ *+ ++ VdW O ALA 116 - CG2 VAL 119 2.90 7 0.10 0.36 ++++ +* + VdW CG1 VAL 119 - HA3 GLY 357 2.60 8 0.14 0.36 ++ +++ + *+ VdW CG PHE 347 - C PHE 347 2.90 17 0.21 0.23 + ++++++*++++ + ++++ VdW O PHE 347 - CG GLN 391 2.90 15 0.23 0.31 +*++++++ ++ ++++ + VdW HA ARG 348 - HG2 GLN 391 2.00 20 0.30 0.39 +++*++++++++++++++++ VdW HE1 PHE 350 - O PRO 358 2.30 11 0.16 0.32 + +++ ++ * ++ + + VdW CZ PHE 350 - O GLY 357 2.90 17 0.24 0.29 ++++ +++++++++*+++ VdW HZ PHE 350 - O GLY 357 2.30 10 0.18 0.25 + + + *++ ++ + + VdW HZ PHE 350 - HB3 GLU 360 2.00 7 0.18 0.30 + ++*++ + VdW HZ PHE 350 - CG GLU 360 2.60 12 0.20 0.30 +++ + + + + ++++* VdW HE2 PHE 350 - O PRO 358 2.30 9 0.12 0.33 + + + + * + +++ VdW CG HIS 351 - O HIS 351 2.90 20 0.42 0.44 ++++++++++++*+++++++ VdW HB2 TYR 352 - CA PRO 358 2.60 7 0.19 0.23 + + + +*++ VdW HB2 TYR 352 - HA PRO 358 2.00 20 0.41 0.44 ++++++*+++++++++++++ VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 ++++++++++*+++++++++ VdW CD2 TYR 352 - C TYR 352 3.10 7 0.16 0.28 + *++ + + + VdW CD2 TYR 352 - HB3 PRO 358 2.60 14 0.20 0.32 ++ *+++ +++ + +++ + VdW C GLU 353 - N ALA 355 2.95 11 0.12 0.22 + +* + ++++ ++ + VdW C GLU 353 - H ALA 355 2.45 11 0.17 0.34 + ++ + *+++ ++ + VdW O GLU 353 - N GLY 357 2.75 20 0.34 0.40 *+++++++++++++++++++ VdW O GLU 353 - H GLY 357 1.80 12 0.24 0.36 * ++ ++++++ ++ + VdW CG2 THR 356 - C THR 356 2.90 20 0.31 0.32 +++*++++++++++++++++ VdW HA2 GLY 357 - CD PRO 358 2.60 20 0.28 0.30 ++++++++++++++++*+++ VdW CB PRO 358 - HA ALA 395 2.60 20 0.29 0.35 +++++++++++++*++++++ VdW HB2 PRO 358 - HA ALA 395 2.00 8 0.20 0.27 + +++ +*+ + VdW C GLN 359 - N ALA 361 2.95 20 0.32 0.35 +*++++++++++++++++++ VdW C GLN 359 - H ALA 361 2.45 20 0.38 0.42 +*++++++++++++++++++ VdW O GLN 359 - N ALA 361 2.75 20 0.41 0.46 +*++++++++++++++++++ VdW CG GLU 360 - C GLU 360 2.90 11 0.19 0.21 +++ +++ + + ++* VdW HG3 GLU 360 - C GLU 360 2.50 18 0.32 0.45 ++++ +++ ++++*++++++ VdW C ALA 361 - HG LEU 365 2.50 11 0.20 0.40 ++ ++ ++ +* +++ VdW O ALA 361 - C LEU 362 2.80 20 0.28 0.32 *+++++++++++++++++++ VdW O ALA 361 - N ALA 363 2.75 10 0.18 0.29 ++++ + ++ + *+ VdW O ALA 361 - N GLN 364 2.75 16 0.27 0.36 ++ ++++ ++ +++ ++++* VdW O ALA 361 - N LEU 365 2.75 20 0.26 0.33 ++++++++++++++*+++++ VdW O ALA 361 - H LEU 365 1.80 17 0.24 0.29 ++++ ++++*++++ ++++ VdW O ALA 361 - HG LEU 365 2.30 11 0.17 0.42 ++ ++ ++ *+ +++ VdW N LEU 365 - CD2 LEU 365 3.05 8 0.14 0.31 *+ + + + +++ VdW CA LEU 365 - CD1 LEU 365 3.00 9 0.10 0.23 ++ ++ ++ * ++ VdW CD1 LEU 365 - HA VAL 388 2.60 11 0.15 0.34 ++ ++ ++ ++ +*+ VdW CD1 LEU 365 - HB3 GLN 391 2.60 11 0.17 0.27 ++ ++ +* ++ +++ VdW CD1 LEU 365 - HG3 GLN 391 2.60 6 0.09 0.24 ++ + +* + VdW O LEU 365 - SG CYS 369 3.10 12 0.21 0.28 +*++ ++ ++ + ++ + VdW CD1 TRP 372 - C TRP 372 3.10 20 0.32 0.42 ++++++++++++++*+++++ VdW CD1 LEU 373 - CD2 LEU 387 3.20 6 0.11 0.46 + ++ + * + VdW O LEU 373 - CB ARG 374 2.90 6 0.19 0.28 + ++ + + * VdW HA ARG 374 - CD PRO 375 2.60 20 0.29 0.30 +++++++++++++++++*++ VdW C ARG 374 - H GLU 376 2.45 11 0.20 0.26 +++ +++ + + +*+ VdW O LYS 380 - N LEU 384 2.75 18 0.24 0.32 ++++ +++++++*+ +++++ VdW O LYS 380 - HB2 LEU 384 2.30 9 0.15 0.40 + ++ ++ *++ + VdW O MET 383 - CD1 LEU 387 2.90 14 0.23 0.44 +++++++* ++ + + + + VdW O LEU 384 - CG2 VAL 388 2.90 10 0.18 0.30 ++*+ ++ + +++ VdW HG LEU 386 - N LEU 387 2.45 12 0.25 0.37 *++++++ + + + + + VdW N LEU 387 - CD1 LEU 387 3.05 8 0.15 0.33 +++ +* + + + VdW H LEU 387 - CD1 LEU 387 2.55 14 0.33 0.61 +++++++* ++ + + + + VdW CD2 LEU 387 - C LEU 387 3.10 14 0.27 0.44 +++++*++ ++ + + + + VdW CD2 LEU 387 - N VAL 388 3.05 14 0.21 0.37 +++++++* ++ + + + + VdW HD21 LEU 387 - C LEU 387 2.50 6 0.10 0.36 + + + + * + VdW HD22 LEU 387 - N VAL 388 2.45 7 0.11 0.38 + + + + * + + VdW CG1 VAL 388 - C VAL 388 2.90 13 0.19 0.26 +++++++ ++ + * + + VdW HB2 LEU 389 - C SER 411 2.50 19 0.38 0.50 ++++++++++++++ +++*+ VdW HB2 LEU 389 - N PRO 412 2.45 10 0.17 0.35 + ++*+++ + + + VdW CD1 LEU 389 - N GLU 390 3.05 18 0.31 0.39 + ++++++++*++++++++ VdW CD1 LEU 389 - H GLU 390 2.55 13 0.19 0.25 + +++ +++ +*+ +++ VdW CD2 LEU 389 - C LEU 389 3.10 18 0.41 0.51 + +++++++++++*+++++ VdW NE2 GLN 391 - O GLN 391 2.75 20 0.34 0.41 ++*+++++++++++++++++ VdW O GLN 391 - N GLY 394 2.75 13 0.21 0.25 ++++ ++++ ++* + + VdW O GLN 391 - H GLY 394 1.80 6 0.19 0.24 ++++ * + VdW CD1 PHE 392 - C PHE 392 3.10 11 0.24 0.52 + + +++ + *+ + ++ VdW HD1 PHE 392 - N LEU 393 2.45 11 0.15 0.34 + + +++ + *+ + ++ VdW CZ PHE 392 - HA ALA 416 2.60 12 0.20 0.31 +*+++++ + + + ++ VdW HZ PHE 392 - HA ALA 416 2.00 17 0.28 0.42 ++++++ ++*++++++ + + VdW CD2 PHE 392 - C PHE 392 3.10 9 0.20 0.48 + + ++ + + *++ VdW HD2 PHE 392 - C PHE 392 2.50 6 0.09 0.26 + * + + ++ VdW HD2 PHE 392 - N LEU 393 2.45 8 0.11 0.31 * ++ + + +++ VdW O LEU 393 - CD2 LEU 396 2.90 10 0.19 0.46 ++ ++++* ++ + VdW N LEU 396 - HG LEU 396 2.45 10 0.14 0.31 +* +++ ++ + ++ VdW N LEU 396 - CD1 LEU 396 3.05 10 0.14 0.30 ++ +++++ *+ + VdW N LEU 396 - CD2 LEU 396 3.05 10 0.14 0.31 ++ *++++ ++ + VdW H LEU 396 - CD2 LEU 396 2.55 10 0.15 0.33 ++ +*+++ ++ + VdW HB2 LEU 396 - HB ILE 400 2.00 10 0.20 0.31 ++ *++++ ++ + VdW CB PRO 397 - CD PRO 398 3.20 20 0.22 0.25 +++++++++++++++++*++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.31 0.34 +++++++++++++++++*++ VdW HB2 PRO 397 - CD PRO 398 2.60 15 0.22 0.26 ++++ + +++++ ++++* VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.42 0.47 +++++++++++++++++*++ VdW HA GLN 401 - CG2 VAL 404 2.60 7 0.14 0.47 + + * ++ + + VdW HG2 PRO 409 - H GLY 410 1.95 8 0.17 0.28 +++*+ ++ + Angle PSI LEU 45 -52.00 -32.00 9 4.38 8.88 + + + + + ++ + * Angle PSI ARG 48 -34.00 -4.00 20 9.06 11.75 +++*++++++++++++++++ Angle PSI CYS 49 -51.00 -5.00 20 21.05 23.14 ++++++++++++*+++++++ Angle PHI PHE 50 -112.00 -54.00 20 12.02 14.37 +++++*++++++++++++++ Angle PHI TYR 52 -106.00 -68.00 8 4.36 6.51 + ++ +++ +* Angle PSI GLU 54 -38.00 -16.00 9 5.29 14.64 +++ + +++ +* Angle PHI ALA 55 -80.00 -58.00 20 14.77 30.00 +++++++++++++++++*++ Angle PHI THR 56 -112.00 -82.00 7 3.51 7.31 * + ++ ++ + Angle PSI THR 56 -15.00 15.00 20 18.84 23.03 ++++++++++++++++*+++ Angle PHI GLU 60 -75.00 -55.00 20 14.53 15.98 ++++++++++++++*+++++ Angle PSI GLU 60 -54.00 -34.00 20 16.51 17.28 *+++++++++++++++++++ Angle PHI ALA 61 -72.00 -52.00 20 7.69 11.14 ++++*+++++++++++++++ Angle PHI LEU 62 -71.00 -51.00 20 18.33 25.33 ++++++++++++++*+++++ Angle PSI GLN 64 -51.00 -31.00 6 4.16 10.35 *+ ++ + + Angle PSI LEU 65 -52.00 -32.00 20 10.20 13.75 ++++++++++++++++*+++ Angle PSI ARG 66 -50.00 -30.00 20 9.22 12.08 *+++++++++++++++++++ Angle PHI GLU 67 -79.00 -59.00 12 5.46 8.55 + +*+ + +++++ + + Angle PHI CYS 69 -76.00 -56.00 10 4.90 5.68 + +* ++ +++ + + Angle PHI LYS 80 -69.00 -49.00 16 6.51 10.36 + ++ +*+++ ++++ ++++ Angle PSI LYS 80 -48.00 -28.00 20 12.21 14.75 ++++++*+++++++++++++ Angle PSI GLU 81 -50.00 -30.00 18 5.53 7.71 +++ +*++++++++++ +++ Angle PHI GLN 82 -76.00 -56.00 14 6.19 11.57 + ++ + +++ +++ *+++ Angle PHI LEU 84 -73.00 -53.00 18 6.67 8.52 ++++++++ * +++++++++ Angle PHI GLU 85 -75.00 -55.00 6 3.49 7.62 + +* + + + Angle PSI GLU 85 -54.00 -34.00 18 11.20 17.53 +++++ ++++*+ +++++++ Angle PHI LEU 87 -77.00 -57.00 17 9.73 15.19 ++++++ *++++++++++ Angle PSI LEU 87 -51.00 -31.00 17 12.55 19.23 +++++ ++ +++ +*+++++ Angle PHI VAL 88 -78.00 -58.00 9 6.01 14.07 +++ * ++ ++ + Angle PSI VAL 88 -55.00 -35.00 14 6.12 10.12 ++ ++*++++++ ++ + Angle PSI LEU 89 -57.00 -37.00 12 4.69 8.05 +++ + +++ ++++* Angle PHI PHE 92 -74.00 -54.00 12 5.22 6.70 + +++ + *+ ++++ + Angle PSI PHE 92 -55.00 -35.00 6 4.21 9.61 * +++ + + Angle PSI LEU 93 -49.00 -29.00 20 12.01 19.96 +++++++++*++++++++++ Angle PSI PRO 97 132.20 154.90 20 26.53 28.14 +++++++++++++*++++++ Angle PSI PRO 98 -46.00 -28.00 20 12.62 14.40 +++++++++++++++*++++ Angle PHI ILE 100 -73.00 -53.00 12 5.05 5.71 + ++++ +++ + *++ Angle PHI ALA 102 -72.00 -52.00 8 4.62 7.83 + + + ++ *++ Angle PHI ARG 103 -73.00 -53.00 16 6.07 9.30 ++++++++ +++++*+ + Angle PSI ARG 103 -53.00 -33.00 8 5.12 9.60 + + ++ ++ * + Angle PSI VAL 104 -54.00 -34.00 6 4.27 8.10 + + + + *+ Angle PSI GLY 106 -40.00 -6.00 10 5.03 8.80 +++ ++ + ++*+ Angle PHI GLY 110 58.00 92.00 7 3.89 7.76 + + ++++ * Angle PSI ALA 117 -50.00 -30.00 16 6.60 9.06 +++++ +*+++++++++ Angle PHI VAL 119 -74.00 -54.00 9 4.93 8.64 + + ++ ++ +* + Angle PHI ASP 120 -69.00 -49.00 20 17.24 24.56 +++++++++++++*++++++ Angle PSI LEU 345 -52.00 -32.00 8 5.22 8.49 + ++ + + + + * Angle PSI ARG 348 -34.00 -4.00 20 8.58 10.72 +++*++++++++++++++++ Angle PSI CYS 349 -51.00 -5.00 20 21.64 23.84 +++++++++++++++++*++ Angle PHI PHE 350 -112.00 -54.00 20 12.16 13.96 ++++++++++++++*+++++ Angle PHI TYR 352 -106.00 -68.00 10 4.67 6.67 +++++++ * + + Angle PHI GLU 354 -70.00 -50.00 6 1.88 6.45 + +++ * + Angle PSI GLU 354 -38.00 -16.00 16 5.93 9.64 ++ ++++ +*+++++++ + Angle PHI ALA 355 -80.00 -58.00 20 14.91 21.83 +++++++++++++++++*++ Angle PHI THR 356 -112.00 -82.00 9 3.74 7.31 ++ ++++ +* + Angle PSI THR 356 -15.00 15.00 20 19.38 27.58 ++++++++++++++++*+++ Angle PHI GLU 360 -75.00 -55.00 20 14.53 16.29 ++++++++++++++++*+++ Angle PSI GLU 360 -54.00 -34.00 20 16.44 17.77 +++++++++++++++++++* Angle PHI ALA 361 -72.00 -52.00 18 7.60 11.56 +++++ +++ +++*++++++ Angle PSI ALA 361 -53.00 -33.00 6 3.83 7.47 + + * + + + Angle PHI LEU 362 -71.00 -51.00 20 18.84 22.75 *+++++++++++++++++++ Angle PSI GLN 364 -51.00 -31.00 12 4.40 7.76 +++ +++ ++ +*+ + Angle PSI LEU 365 -52.00 -32.00 19 11.00 14.53 +++++++++++ ++++*+++ Angle PSI ARG 366 -50.00 -30.00 20 8.19 12.47 ++++++++++++++++++*+ Angle PHI GLU 367 -79.00 -59.00 8 4.72 6.88 *+ + + + + ++ Angle PHI CYS 369 -76.00 -56.00 9 4.62 7.03 + ++ ++ + +* + Angle PHI LYS 380 -69.00 -49.00 12 5.77 9.94 +++ +*+ ++ ++++ Angle PSI LYS 380 -48.00 -28.00 20 12.60 16.06 +++++++++++++++++++* Angle PSI GLU 381 -50.00 -30.00 15 5.49 8.44 ++ + +*+++ +++++++ Angle PHI GLN 382 -76.00 -56.00 12 6.07 12.37 +*+ +++ ++ +++ + Angle PHI LEU 384 -73.00 -53.00 15 5.98 8.67 +*++ ++ +++ ++ ++++ Angle PSI GLU 385 -54.00 -34.00 17 12.71 34.21 +++++++* +++++++ + + Angle PHI LEU 387 -77.00 -57.00 18 11.08 14.44 ++ ++++++ +*++++++++ Angle PSI LEU 387 -51.00 -31.00 14 10.55 18.41 ++++*+++ ++ + + + + Angle PHI VAL 388 -78.00 -58.00 11 6.66 14.58 ++ ++ ++ *++++ Angle PSI VAL 388 -55.00 -35.00 16 6.59 10.69 + ++ ++++++++ + *+++ Angle PSI LEU 389 -57.00 -37.00 16 5.98 8.31 + +*++++++ ++ +++++ Angle PHI GLU 390 -73.00 -53.00 6 3.10 13.69 ++ *+ + + Angle PHI PHE 392 -74.00 -54.00 13 5.17 6.17 +++++ ++++ + * + + Angle PSI PHE 392 -55.00 -35.00 8 4.70 11.53 ++ +* +++ + Angle PSI LEU 393 -49.00 -29.00 20 13.26 19.82 ++++++++++*+++++++++ Angle PSI GLY 394 -46.00 -8.00 7 2.61 6.49 + + +++ + * Angle PSI PRO 397 132.20 154.90 20 26.78 28.12 +++++++++++++++++*++ Angle PSI PRO 398 -46.00 -28.00 20 12.86 15.31 ++++++++++*+++++++++ Angle PHI ILE 400 -73.00 -53.00 11 5.02 6.36 + +++ + + ++*+ + Angle PHI ARG 403 -73.00 -53.00 17 6.85 10.33 ++++++++ +++++*+++ Angle PSI ARG 403 -53.00 -33.00 9 4.49 7.87 + *++ + + + ++ Angle PSI GLY 406 -40.00 -6.00 7 4.33 7.05 * ++ ++ ++ Angle PSI ALA 417 -50.00 -30.00 16 6.84 10.62 +++*++++++++ ++ ++ Angle PHI VAL 419 -74.00 -54.00 10 4.89 8.76 ++ + +++++ + * Angle PHI ASP 420 -69.00 -49.00 20 15.63 23.72 +++++++++*++++++++++ 337 violated distance constraints. 90 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.25 +/- 0.05 A (0.14..0.40 A; 20 structures) Average heavy atom RMSD to mean : 0.72 +/- 0.09 A (0.55..0.94 A; 20 structures)