NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3155 8.2649 123.5821 52.0556 19.2113 174.7293 2 T 4.3938 7.5994 117.2211 60.5451 71.6555 172.8869 3 L 4.1648 9.4566 127.2349 57.8227 41.9103 179.6829 4 K 4.1108 7.9763 118.1043 59.4355 32.2462 178.6789 5 D 4.3603 8.0397 118.3384 57.6169 40.8179 178.5446 6 I 3.7590 8.3779 120.4842 65.2006 37.1780 178.5607 7 T 3.8136 7.8423 116.1857 66.4267 68.1100 176.7462 8 R 3.8831 8.2484 121.0071 59.4764 30.1340 178.8755 9 R 3.9007 8.4154 118.1666 59.2705 30.0621 178.8434 10 L 3.9532 8.1074 119.0198 57.6728 41.7595 179.3233 11 K 3.8155 8.1372 119.6802 59.8290 32.2770 178.9021 12 S 4.3169 7.9162 113.5508 60.9130 63.0111 176.0903 13 I 3.9333 7.7368 123.5657 63.6555 37.1152 178.2326 14 K 4.0315 8.2599 119.7303 59.2357 31.7949 179.2361 15 N 4.3206 7.7972 115.6797 56.2455 38.4813 177.2309 16 I 3.6350 7.5040 120.8013 64.6776 37.1983 177.9529 17 Q 3.9214 8.3766 120.3763 59.2649 28.8736 178.8598 18 K 3.9422 7.8519 118.8491 59.7486 32.2205 179.5370 19 I 3.7610 8.3196 120.2495 64.6621 36.8712 178.7211 20 T 3.9856 8.6795 117.1889 66.2224 68.4093 176.9100 21 K 3.9918 8.3605 122.0217 59.1510 32.1891 178.8976 22 S 4.0552 7.9672 113.3182 61.8337 62.4136 176.0610 23 M 4.0689 8.0601 121.2550 58.1403 31.5066 178.8415 24 K 3.8946 7.7814 119.4978 59.8513 32.4631 178.8700 25 M 4.0505 7.8983 118.5804 58.2029 31.8116 178.7979 26 V 3.5543 7.9255 118.1876 65.9624 31.6095 177.7480 27 A 3.9769 7.9461 120.0391 55.4098 18.3388 179.4731 28 A 3.5330 8.3729 118.9408 55.0207 18.3717 179.8441 29 A 3.9448 7.7916 119.0892 55.2740 18.6666 179.8812 30 K 3.9096 8.1918 117.1268 59.6639 32.0188 178.9134 31 Y 4.1173 8.9547 120.6314 60.6519 38.3263 177.7725 32 A 3.5211 7.7802 121.5459 55.2498 18.4377 179.6413 33 R 3.7545 7.8142 116.5205 59.4188 30.1467 178.5896 34 A 3.9166 7.9859 120.7236 55.0510 18.1544 179.0788 35 E 3.7729 8.2324 117.3344 59.4171 29.8318 179.2147 36 R 3.9960 7.5084 117.3179 59.3944 29.9549 178.8253 37 E 4.1734 8.1091 118.0469 59.0488 29.4304 179.1422 38 L 4.0990 7.7763 120.0083 57.3600 41.5248 178.2955 39 K 3.8902 8.3706 120.7895 59.0620 32.1070 176.7155 40 P 4.3011 0.0000 0.0000 65.8745 31.1077 177.7540 41 A 4.2583 7.7023 119.6870 55.2105 17.8103 179.4858 42 R 4.6043 8.2136 116.1324 59.6911 30.2215 179.0733 43 V 3.7530 7.6002 116.6622 66.4774 31.4280 177.5688 44 Y 4.0817 8.7146 119.2854 60.7966 38.5286 178.2153 45 G 3.3306 9.0653 106.4094 47.7135 0.0000 175.5354 46 V 3.5726 8.5989 120.5262 65.2514 31.5186 178.1710 47 G 3.6093 7.7125 104.9924 48.4146 0.0000 175.6319 48 S 4.4918 7.7545 113.5806 55.9019 63.0581 175.5639 *67 L 3.9368 8.1993 123.8196 54.7186 41.9497 175.7979 68 I 4.2807 8.2691 127.4761 59.7357 38.1786 175.3319 69 I 4.3371 8.4113 126.8606 59.4052 38.4101 175.1399 70 G 4.1035 8.6113 114.7179 43.5099 0.0000 172.4013 71 V 4.5721 8.0812 123.9123 61.0840 35.6985 171.6850 72 S 4.5741 8.5072 124.7347 57.9368 68.7828 176.5646 73 S 4.5660 8.8102 113.5843 58.5023 65.6464 174.7141 74 D 4.6330 8.8151 117.9169 55.2226 42.0405 176.6835 75 R 4.3897 7.4191 118.7326 54.9562 31.4058 176.5147 76 G 4.0540 8.3190 115.3804 45.8494 0.0000 172.7328 77 L 3.7167 8.6613 114.7032 56.1178 38.8695 174.0597 78 C 4.8565 7.3610 108.5582 57.7283 31.2281 176.1460 79 G 3.8510 8.0412 115.9591 48.2840 0.0000 174.8845 80 A 4.7397 8.4150 125.5856 51.3799 19.7140 179.3783 81 I 3.5813 7.5176 122.1465 66.5598 37.1145 177.9191 82 H 4.2411 7.8157 116.2581 58.9770 28.7890 177.6603 83 S 4.1310 8.2015 115.5554 61.8581 62.2083 176.4547 84 S 4.0835 7.8021 117.5121 61.5543 62.7179 176.6697 85 V 3.7436 7.1802 112.9688 64.3448 31.4193 178.1525 86 A 4.1520 7.8844 119.2630 55.1435 18.4145 179.4062 87 K 3.6376 8.2355 115.4134 58.7464 32.7916 176.9833 *202 R 4.4217 7.7982 117.9447 57.2757 32.0949 177.0453 203 N 4.4227 8.1423 114.7172 56.2837 38.6185 176.5482 204 Y 3.9714 8.0646 120.4692 60.7620 38.9312 177.8977 205 Q 4.0205 8.2504 119.7652 59.2770 29.1785 177.4752 206 E 3.9680 8.0263 119.2050 59.7760 29.5578 178.8770 207 Y 4.0414 8.0618 119.2509 60.7934 39.0405 178.2884 208 S 4.0383 8.0694 114.5057 60.5394 63.0482 176.0240 209 L 3.9566 7.8178 124.6851 58.0464 41.8153 178.5409 210 A 4.0411 7.6171 120.8592 54.9529 18.1981 179.4149 211 N 4.3741 7.8948 115.2630 56.5336 38.6149 177.5030 212 I 3.8024 7.6494 119.6320 63.9905 38.0639 177.8099 213 I 3.7362 7.7628 119.2360 64.0075 37.7254 177.2115 214 Y 4.0265 8.3079 120.5584 60.8464 38.6986 177.1669 215 Y 4.1506 8.4314 120.7610 60.9848 38.8045 178.2519 216 S 3.8502 8.0603 114.8405 61.4477 62.7374 176.2141 217 L 3.8163 7.7456 123.7531 57.8428 40.9268 179.1784 218 K 3.8505 7.8477 118.4935 58.9200 31.8728 179.3772 219 E 3.9797 7.8731 119.2524 59.0680 29.3788 178.7701 220 S 4.0110 8.0738 113.6855 61.8681 62.3687 176.5398 221 T 3.9880 7.6302 112.0158 64.9842 68.2167 176.5390 222 T 3.9702 7.3931 119.1636 66.5951 68.5018 176.9324 223 S 4.0960 8.1245 117.1338 61.4266 62.7868 176.3733 224 E 3.8490 8.5432 122.4052 59.5427 29.3877 178.9792 225 Q 4.0456 8.4746 118.3259 58.4288 28.8146 178.4063 226 S 3.8073 7.9116 114.9458 60.3118 63.2763 176.1445 227 A 4.0393 7.8002 124.4234 54.4664 18.4059 179.4816 228 R 4.0168 8.1534 117.5996 59.5029 30.1272 178.3534 229 M 3.9636 7.7651 117.7913 58.9425 32.2570 178.3401 230 T 3.7509 7.6914 115.2903 66.6934 68.6593 176.4791 231 A 3.9908 8.3968 122.9372 55.5222 18.3849 179.3591 232 M 4.1037 8.4115 116.7738 57.4673 32.0273 178.5204 233 D 4.2165 7.9352 118.8853 57.4974 41.4368 177.4679 234 N 4.2278 8.1373 116.6569 56.3240 38.5282 176.8186 235 A 4.0015 8.1777 122.0608 55.6160 18.4728 179.8707 236 S 4.0703 8.0111 112.3207 61.6712 63.0790 176.8752 237 K 4.0367 8.2565 122.2470 58.9233 31.7748 179.2130 238 N 4.2762 8.9402 117.1380 56.2391 38.5089 176.7868 239 A 3.9397 8.2262 122.4478 55.7032 18.3260 179.5987 240 S 4.0527 8.0689 112.8244 61.8189 63.0063 176.8103 241 E 3.8915 8.0888 121.5014 59.5264 29.3404 178.4132 242 M 4.0220 8.5290 118.5240 58.7059 32.2287 178.1181 243 I 3.6803 8.2333 120.1140 64.6881 37.2679 178.1400 244 D 4.3773 8.3807 119.8899 57.0665 40.5805 178.9548 245 K 3.9188 8.1551 120.0852 59.5761 32.3574 178.8324 246 L 4.0761 8.2206 119.6477 58.1555 41.5140 179.7117 247 T 3.8688 7.9318 115.5084 66.8242 68.4989 176.7408 248 L 4.1078 7.8081 120.4317 58.0540 41.6032 179.7668 249 T 3.9403 8.4535 116.3501 66.3122 68.2816 176.5038 250 F 4.0363 8.7791 123.0410 61.4555 39.3592 177.0262 251 N 4.4114 8.4441 116.0741 56.2556 38.3671 177.5059 252 R 3.8993 7.9101 119.3844 59.7300 30.1612 179.2370 253 T 3.7808 7.8466 115.2200 66.5316 68.0153 176.6209 254 R 3.6401 7.9540 120.9604 59.5795 30.0238 178.6389 255 Q 3.9634 8.3423 117.8210 58.8374 28.6116 178.5420 256 A 3.9839 8.0710 121.9242 54.8496 18.2970 179.7882 257 V 3.5540 7.8977 116.9361 66.1996 31.5419 178.1785 258 I 3.7695 7.3280 118.8217 64.7602 36.9196 178.2429 259 T 3.8443 7.7954 116.3368 66.6893 68.3689 176.3756 260 K 3.8659 8.7347 122.1084 59.6617 32.1362 178.4456 261 E 3.9549 8.8632 120.2798 59.0401 29.4883 178.5566 262 L 3.9809 8.3404 121.0142 58.0759 42.1174 178.8571 263 I 3.7225 8.0346 120.0835 64.2968 36.9860 177.9781 264 E 3.9218 8.0462 119.7616 59.2686 29.4656 179.0354 265 I 3.7128 7.5202 119.9003 64.3930 37.1257 178.4462 266 I 3.7042 7.7703 120.5960 64.4511 36.9270 178.5052 267 S 4.2090 8.4272 116.4216 61.6798 62.4867 177.0968 268 G 3.6033 7.6890 106.0743 47.8522 0.0000 175.2632 269 A 4.1308 8.1697 123.2023 54.7768 18.1560 179.6187 270 A 4.0549 8.1468 118.4388 55.0016 18.5327 179.4684 271 A 4.0757 7.6903 118.2074 54.8294 18.4564 177.5151 272 L 4.1085 7.3243 120.5280 55.2422 41.6582 176.9029 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.60 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 3 L 9.46 4.16 0.00 1.68 1.82 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.98 4.11 0.00 1.79 1.87 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 5 D 8.04 4.36 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.38 3.76 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 1.12 0.00 0.00 7 T 7.84 3.81 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 8 R 8.25 3.88 0.00 1.97 2.15 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 9 R 8.42 3.90 0.00 2.02 1.97 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 10 L 8.11 3.95 0.00 1.76 1.67 0.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.14 3.82 0.00 1.88 2.06 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 12 S 7.92 4.32 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.74 3.93 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.90 0.00 0.00 14 K 8.26 4.03 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 N 7.80 4.32 0.00 2.80 2.85 0.00 0.00 6.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.50 3.64 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.90 0.00 0.00 17 Q 8.38 3.92 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 18 K 7.85 3.94 0.00 2.04 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.72 7.81 19 I 8.32 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.91 0.00 0.00 20 T 8.68 3.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 21 K 8.36 3.99 0.00 1.87 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 7.97 4.06 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.06 4.07 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 24 K 7.78 3.89 0.00 1.79 1.99 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.68 7.81 25 M 7.90 4.05 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 26 V 7.93 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 27 A 7.95 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.37 3.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.79 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.19 3.91 0.00 2.01 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 31 Y 8.95 4.12 0.00 2.99 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.78 3.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.81 3.75 0.00 1.89 2.04 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 34 A 7.99 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.23 3.77 0.00 1.35 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 36 R 7.51 4.00 0.00 1.98 1.91 0.00 3.14 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 37 E 8.11 4.17 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 38 L 7.78 4.10 0.00 1.84 1.89 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.37 3.89 0.00 1.87 1.93 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.53 7.81 40 P 0.00 4.30 0.00 2.35 2.33 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 41 A 7.70 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.21 4.60 0.00 2.15 2.15 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 43 V 7.60 3.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 44 Y 8.71 4.08 0.00 3.05 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.07 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.60 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.85 0.00 0.00 47 G 7.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.75 4.49 0.00 3.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 L 8.20 3.94 0.00 1.68 1.65 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.27 4.28 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.92 0.00 0.00 69 I 8.41 4.34 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.92 0.00 0.00 70 G 8.61 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.08 4.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 72 S 8.51 4.57 0.00 3.99 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.81 4.57 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.82 4.63 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.42 4.39 0.00 1.91 1.83 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 76 G 8.32 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.66 3.72 0.00 1.82 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.36 4.86 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.04 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.42 4.74 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.52 3.58 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.64 0.00 0.00 82 H 7.82 4.24 0.00 3.24 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.20 4.13 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.80 4.08 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.18 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 86 A 7.88 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.24 3.64 0.00 1.83 2.08 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *202 R 7.80 4.42 0.00 1.98 1.98 0.00 3.30 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 203 N 8.14 4.42 0.00 2.83 2.86 0.00 0.00 6.74 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Y 8.06 3.97 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 Q 8.25 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 206 E 8.03 3.97 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 207 Y 8.06 4.04 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.07 4.04 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.82 3.96 0.00 1.90 1.96 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.62 4.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 N 7.89 4.37 0.00 2.80 2.77 0.00 0.00 6.59 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 7.65 3.80 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 1.00 0.00 0.00 213 I 7.76 3.74 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 1.01 0.00 0.00 214 Y 8.31 4.03 0.00 3.16 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 8.43 4.15 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.06 3.85 0.00 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.75 3.82 0.00 2.03 1.59 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 218 K 7.85 3.85 0.00 1.53 1.60 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.93 0.62 7.81 219 E 7.87 3.98 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 220 S 8.07 4.01 0.00 3.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 T 7.63 3.99 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 222 T 7.39 3.97 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 223 S 8.12 4.10 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 E 8.54 3.85 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 225 Q 8.47 4.05 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 226 S 7.91 3.81 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 7.80 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 R 8.15 4.02 0.00 1.87 1.98 0.00 3.10 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 229 M 7.77 3.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 230 T 7.69 3.75 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 231 A 8.40 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 M 8.41 4.10 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 233 D 7.94 4.22 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 N 8.14 4.23 0.00 2.95 2.84 0.00 0.00 6.96 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 A 8.18 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 8.01 4.07 0.00 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 K 8.26 4.04 0.00 1.91 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.45 1.73 7.81 238 N 8.94 4.28 0.00 2.84 2.86 0.00 0.00 6.82 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 8.23 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.07 4.05 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 E 8.09 3.89 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 242 M 8.53 4.02 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 243 I 8.23 3.68 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.64 0.89 0.00 0.00 244 D 8.38 4.38 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 K 8.16 3.92 0.00 1.85 2.05 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 246 L 8.22 4.08 0.00 1.72 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 247 T 7.93 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 248 L 7.81 4.11 0.00 1.82 1.74 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 249 T 8.45 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 250 F 8.78 4.04 0.00 3.12 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 N 8.44 4.41 0.00 2.86 2.90 0.00 0.00 7.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 R 7.91 3.90 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 253 T 7.85 3.78 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 254 R 7.95 3.64 0.00 1.43 1.93 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 255 Q 8.34 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 256 A 8.07 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 V 7.90 3.55 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 258 I 7.33 3.77 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.90 0.00 0.00 259 T 7.80 3.84 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 260 K 8.73 3.87 0.00 1.76 2.01 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 261 E 8.86 3.95 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 262 L 8.34 3.98 0.00 1.93 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 263 I 8.03 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 0.90 0.00 0.00 264 E 8.05 3.92 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 265 I 7.52 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.91 0.00 0.00 266 I 7.77 3.70 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 0.91 0.00 0.00 267 S 8.43 4.21 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 G 7.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 A 8.17 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 270 A 8.15 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 A 7.69 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 L 7.32 4.11 0.00 1.91 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.