NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.1752 8.2845 120.7679 54.0794 42.5359 176.9645 14 E 4.2686 8.5576 120.2382 52.9516 29.1346 172.0327 15 L 4.3171 8.3040 125.5724 53.5864 43.7664 176.9235 16 D 4.6065 8.3754 119.6649 53.3263 41.0567 173.8877 17 V 4.6502 8.0326 124.1333 61.2589 33.4099 174.4297 18 H 4.7810 9.4797 127.1141 53.1916 30.5183 171.9983 19 P 4.4427 0.0000 0.0000 63.7347 31.2259 176.5597 20 V 4.0548 8.7869 124.4600 64.7589 31.8914 175.5852 21 A 4.8790 7.7727 121.2123 49.4956 22.0397 176.8944 22 G 3.5305 8.7755 107.9969 48.4802 0.0000 174.7769 23 R 4.6345 7.3501 113.9932 55.0906 32.1234 174.6109 24 I 4.1798 7.6751 116.1230 61.1042 40.7898 173.6084 25 G 4.4777 10.0747 113.0565 45.3525 0.0000 172.4928 26 A 4.9961 7.8999 123.3672 50.2377 22.8217 174.8360 27 E 4.4787 9.5105 124.6585 55.9996 31.2924 175.5005 28 I 4.6842 8.2265 127.9394 59.9485 38.4694 175.8332 29 R 4.3514 9.0873 127.3758 54.5478 32.1797 176.1940 30 G 3.9103 8.7439 105.4329 46.5701 0.0000 174.3018 31 V 4.1967 7.8029 118.8132 60.5093 33.5674 174.2854 32 K 4.2654 8.5199 127.6143 55.3969 33.2292 176.6480 33 L 3.8566 8.3482 125.1781 54.5816 41.8282 176.5752 34 S 4.6438 8.2191 117.3689 57.1809 66.9562 172.7624 35 P 4.8875 0.0000 0.0000 63.7254 31.0992 176.7509 36 D 4.9918 7.7930 118.2022 53.8846 41.6472 176.0498 37 L 4.5207 7.9526 118.0862 53.7164 43.4166 176.0655 38 D 4.7859 8.2559 119.6923 51.8065 41.2535 177.4633 39 A 3.9240 8.5421 122.4852 55.2280 18.0774 180.1474 40 A 3.9681 8.2399 119.3206 55.3988 18.7974 179.6979 41 T 3.8115 7.6775 113.7395 66.9569 68.5660 176.8229 42 V 3.5808 7.8045 119.4436 66.0860 31.3977 177.5350 43 E 3.9084 8.5668 119.0227 59.0420 29.5226 178.4422 44 A 3.9883 8.2414 121.0693 55.2772 18.3505 179.4537 45 I 3.7422 8.1402 118.5817 65.0091 37.1309 178.7604 46 Q 3.9823 8.1196 118.2899 58.5172 28.3541 178.6009 47 A 4.0112 8.2954 122.1152 54.6811 18.6762 179.1128 48 A 3.9290 8.4395 119.7688 55.5088 18.3048 179.6381 49 L 3.8082 8.2028 118.8089 58.3785 41.9564 179.4418 50 V 3.5924 7.3596 117.0475 65.6482 31.4822 177.8850 51 R 3.9417 8.0519 118.0674 59.3962 30.4343 177.4392 52 H 4.6456 8.6593 113.8125 55.0199 29.0767 176.7500 53 K 4.4064 9.1568 125.3948 56.5796 31.9705 176.3590 54 V 4.7417 6.9740 116.1515 59.8605 34.8690 174.2238 55 I 4.4636 7.9318 115.8882 58.9211 41.2546 174.0151 56 F 4.7038 7.9213 121.9015 55.4169 42.8026 174.0170 57 F 5.1214 9.0742 123.6098 56.3321 41.8250 176.1834 58 R 5.0778 8.6107 124.3539 55.0502 30.8558 172.8444 59 G 3.9438 8.1264 103.7175 48.4389 0.0000 175.1529 60 Q 4.5167 7.6555 119.4567 54.9374 28.1221 177.7230 61 T 4.2455 7.5275 106.5226 62.9877 70.0408 175.9591 62 H 4.4086 7.8474 116.9098 56.9196 29.2488 175.3517 63 L 4.1816 6.9611 122.4013 54.8318 42.7528 174.9055 64 D 4.6885 8.7506 122.1158 51.1026 42.7830 175.4747 65 D 4.4078 8.8693 117.9270 57.9084 40.4907 179.1665 66 Q 4.1018 8.3498 118.1688 58.2878 28.7858 178.3676 67 S 4.0947 8.0018 114.8441 61.5820 62.9658 175.8085 68 Q 4.0359 8.0170 123.9614 58.9907 28.4666 178.7116 69 E 4.0330 7.9266 118.4853 59.2725 29.9837 178.6538 70 G 3.7348 8.7127 106.1671 47.4171 0.0000 175.6017 71 F 4.4249 10.2268 124.0726 60.4835 39.2398 177.0342 72 A 3.9367 8.4634 123.2495 55.5706 18.3281 180.0609 73 K 4.2718 7.4692 120.9297 57.9778 31.7273 180.6227 74 L 4.3380 7.0534 114.9271 56.6937 41.6332 177.1913 75 L 4.5438 8.5524 117.3178 53.1478 43.1704 176.6906 76 G 3.6810 6.6442 107.2742 46.3520 0.0000 171.2527 77 E 4.5089 7.9398 118.7424 55.0006 30.4287 170.2571 78 P 5.2711 0.0000 0.0000 62.3089 32.2149 177.0107 79 V 4.2788 8.0312 119.4586 61.2924 35.4749 173.7719 80 A 3.9128 9.1066 127.2758 53.7721 17.2754 177.7470 81 H 4.5528 8.7156 112.7051 54.6400 32.1301 171.8077 *93 L 4.2372 7.8642 118.9323 54.6053 42.7099 175.4209 94 L 4.6006 9.0108 129.6479 53.8108 43.9639 174.6762 95 Q 4.8547 8.6545 126.9555 54.4238 30.8974 174.2285 96 L 4.8403 8.6450 126.0668 52.9960 44.3703 177.0640 97 D 4.7665 8.5877 119.4980 55.2521 43.4074 175.1342 *102 Q 4.3841 7.9856 118.8963 55.7555 30.7178 175.2255 103 R 4.4923 7.7631 115.1944 54.5072 34.0937 175.5457 104 A 3.9486 8.1676 129.2845 51.2214 18.4217 177.9548 105 N 3.4413 7.0480 121.4231 50.4097 36.6527 175.1347 106 S 4.3278 6.2216 114.5638 57.1231 68.0131 175.4130 107 W 4.4671 9.0277 123.6071 57.2891 29.8751 174.8641 108 H 5.3061 8.7747 119.8536 54.2963 32.2702 172.1315 109 T 4.9510 8.4791 115.5927 61.6233 69.9932 174.6527 110 D 4.6912 9.6124 126.0964 56.3833 41.5750 176.6115 111 V 2.0336 8.4644 122.6477 63.6968 29.8233 173.5404 112 T 3.9790 7.4674 106.2370 61.9157 69.0645 174.9357 113 F 4.4895 7.0051 116.6676 58.3461 38.2770 175.3890 114 V 4.4086 7.0346 117.4942 60.4992 33.5419 176.7411 115 E 4.1570 8.9012 116.4425 58.8706 29.9754 176.8294 116 A 4.8546 7.7794 122.6407 49.5890 16.7808 176.0471 117 Y 4.3451 7.3472 120.4044 54.9382 40.4335 174.0477 118 P 4.6105 0.0000 0.0000 63.1760 31.8420 176.6618 119 K 4.3123 9.1900 122.0238 58.9936 34.0457 176.1639 120 A 5.3353 7.3311 120.1396 52.2938 22.6892 175.1322 121 S 4.7958 7.5135 113.9186 56.5987 67.6770 173.2532 122 I 4.8622 8.8448 123.1452 59.4033 40.6080 174.2012 123 L 5.1952 9.2509 129.1014 53.2595 45.1847 174.9390 124 R 5.0914 9.4151 126.7968 54.5200 33.5019 174.5029 125 S 4.3837 8.7690 120.6330 58.0054 62.8548 173.9862 126 V 3.8896 8.4564 126.9883 64.3745 32.5173 175.7466 127 V 4.4430 8.0307 120.0722 60.7639 34.2130 173.7404 128 A 4.8490 8.4699 130.4189 49.3879 20.4770 174.1798 129 P 4.2882 0.0000 0.0000 62.8946 32.0800 176.8018 130 A 4.1861 8.7676 124.7979 54.5396 18.6401 178.3484 131 S 4.5569 7.9429 108.6124 57.6416 65.9566 174.8484 132 G 4.3072 8.4932 110.0480 45.0281 0.0000 173.5232 133 G 3.9512 8.9860 107.4011 45.1851 0.0000 173.2834 134 D 5.1666 7.9499 119.7388 54.4882 42.6774 174.9837 135 T 4.9976 8.7101 114.6857 62.0159 73.2148 173.6740 136 V 4.9361 8.0770 123.3474 60.9843 35.2169 174.2284 137 W 5.2208 9.4779 126.1711 54.8083 32.8859 174.2871 138 A 5.1597 9.2100 124.2550 50.1271 22.0733 174.8306 139 N 5.1367 9.2692 122.5378 53.4039 39.0546 175.6261 140 T 4.2228 9.0225 117.6559 63.5762 69.9094 177.1802 141 A 4.4313 8.6074 125.9357 54.6966 18.3896 179.2326 142 A 3.9560 8.4272 119.0389 55.0045 18.3522 179.4016 143 A 3.8919 7.5832 118.0680 55.7096 18.7888 178.9003 144 Y 4.0475 8.0265 116.8192 60.9640 38.7706 177.6278 145 Q 3.9988 8.2835 119.5902 59.4524 29.1728 178.2737 146 E 4.1281 8.2302 116.1997 56.8714 30.2755 177.1277 147 L 3.7986 6.8775 120.4325 53.9322 42.3594 175.7338 148 P 4.2062 0.0000 0.0000 62.6610 33.2458 176.5609 149 E 3.7930 8.7746 121.5306 59.4509 29.5060 177.6989 150 P 4.2250 0.0000 0.0000 65.6460 31.4351 178.3857 151 L 4.0282 7.7872 118.2962 57.7798 41.9520 179.0440 152 R 3.7429 7.8109 118.4915 59.0415 29.6997 178.6156 153 E 4.1458 8.5690 117.9347 59.3043 29.7165 178.8697 154 L 4.1692 7.9151 119.7535 57.8337 42.1103 178.6005 155 A 4.0471 8.0519 120.8430 55.4675 18.1179 179.1605 156 D 4.4554 8.3293 116.3364 56.8215 40.9718 178.3240 157 K 4.5820 7.8665 115.8127 55.3186 33.4817 176.0473 158 L 4.8653 7.1425 120.1366 53.7792 43.6689 175.7792 159 W 5.3795 9.0418 119.9136 55.0837 33.5384 174.1215 160 A 5.3143 9.5635 122.8910 50.5145 22.9623 175.0541 161 V 4.8306 8.9251 120.0000 61.8351 33.4571 174.3901 162 H 5.5790 9.9469 126.3027 54.6048 30.7251 174.4150 163 S 5.6274 9.4660 116.5641 55.4289 66.7084 173.1277 164 N 4.6652 8.5034 119.1305 53.4110 37.7113 177.2330 165 E 3.9482 8.4477 120.0343 59.5231 29.8600 181.7890 *166 Y 4.5961 7.4984 112.3487 57.0894 39.0826 180.9430 167 D 4.4582 8.2136 116.3901 55.7602 41.3099 175.9526 168 Y 4.4043 8.1335 123.0078 57.3160 38.1513 176.0997 169 A 4.0216 6.7796 124.2600 54.3914 19.5546 176.5644 *192 Y 4.5238 7.4166 108.1067 57.4674 40.2986 174.1235 193 E 5.2519 8.7285 123.4900 55.8007 33.8697 174.2796 194 T 5.1998 9.4106 121.4398 61.7160 73.2395 172.8538 195 E 5.3029 8.9557 123.5713 55.2502 32.0103 174.9344 196 H 5.3901 9.3688 121.7331 52.9795 32.6840 171.8078 197 P 3.4682 0.0000 0.0000 62.2745 31.5907 176.7581 198 V 3.9002 8.6707 121.8764 64.9428 32.8704 175.3357 199 V 4.5382 7.6080 120.7252 61.0374 33.7956 174.0576 200 R 4.4412 8.5707 129.4996 54.6868 31.7642 175.1058 201 V 4.1268 8.3297 127.6673 62.4240 32.4125 174.9072 202 H 4.5143 9.1275 129.5152 55.1057 30.2222 174.3774 203 P 4.2911 0.0000 0.0000 64.8530 31.3116 175.9956 204 I 4.3623 7.7073 116.6923 63.0170 39.2985 177.1547 205 S 4.0525 8.0452 113.5892 59.3657 62.9473 175.4567 206 G 3.9024 8.3834 108.1040 45.5806 0.0000 173.3565 207 E 4.1906 8.3436 121.0159 56.1371 30.6532 176.4673 208 R 4.5655 8.4605 122.7138 55.7402 31.8681 175.3044 209 A 4.9879 8.4574 123.6149 49.8159 22.9730 175.4783 210 L 4.3993 8.6463 124.1287 55.9465 42.3915 178.2490 211 Q 4.6274 9.4781 125.4302 52.9332 28.7368 173.3148 212 L 4.6529 8.2344 133.0261 55.1010 42.9564 178.0459 213 G 4.0918 9.1916 115.2880 46.0700 0.0000 172.8090 214 H 4.5301 8.6640 117.4695 57.8577 29.9416 176.1876 215 F 4.6326 7.9509 117.2414 59.8734 39.1908 175.2137 216 V 3.9058 7.8005 124.1213 63.4617 31.6089 176.3364 217 K 4.3058 9.5761 132.6803 57.7988 32.1670 173.5360 218 R 4.4421 7.4802 114.8798 55.1424 32.4823 173.5220 219 I 4.6221 8.7270 124.1909 61.3213 37.8022 177.1198 220 K 4.1674 9.2175 131.8951 56.3691 32.1510 174.5911 221 G 3.9156 9.9492 112.5412 44.6503 0.0000 172.5566 222 Y 4.6424 7.4784 115.1823 54.6478 41.9799 175.5734 223 S 4.3246 8.6815 117.7462 58.2595 64.7522 175.1452 224 L 3.9081 8.6142 122.5128 58.6669 41.4735 178.9514 225 A 4.0454 7.9323 119.7190 55.1569 18.4450 179.2597 226 D 4.3415 7.8601 116.1079 57.5617 40.9167 178.5467 227 S 4.1020 8.3508 113.9215 61.9486 62.2689 176.4295 228 Q 4.0344 8.2250 120.2388 59.1690 28.3686 178.7412 229 H 4.2244 7.9934 116.9173 58.9639 28.9877 177.8392 230 L 4.0110 8.3177 121.2033 57.6670 41.3593 179.5056 231 F 4.1181 8.6944 120.7664 61.2552 39.4564 176.8235 232 A 4.0315 8.3820 120.5530 55.3375 18.1798 179.8505 233 V 3.4523 7.7080 116.3450 66.2058 31.5765 178.4029 234 L 3.9213 7.6955 118.5258 57.8452 41.6306 179.1474 235 Q 3.6679 8.0530 119.9948 58.8596 28.4955 178.3932 236 G 3.6154 7.4853 104.9166 46.6774 0.0000 175.3273 237 H 4.1573 7.8528 118.5039 58.5606 28.4488 177.7714 238 V 3.5078 7.1242 119.3758 66.0549 31.4622 176.9192 239 T 3.4138 6.7264 104.7056 61.1584 68.8047 174.6499 240 R 3.8479 7.1433 123.0406 56.4245 30.8582 177.0466 241 L 3.9551 8.7440 125.0482 58.1837 41.7675 179.3320 242 E 3.8966 8.2230 115.9014 59.1905 29.4991 177.5947 243 N 4.7182 8.4958 114.7658 53.2246 39.0541 174.1608 244 T 5.9019 8.1571 109.1179 59.5147 72.0134 174.1004 245 V 4.6550 8.3374 119.9966 60.4578 34.8401 173.1832 246 R 5.2059 8.8295 124.5359 54.3495 32.1899 174.5027 247 W 4.3425 9.3213 135.0000 55.3897 33.0736 174.0800 248 R 4.9433 7.4361 127.8183 54.4697 30.3245 175.6622 249 W 4.8089 8.9389 126.6118 56.1146 30.5838 175.4336 250 E 4.6855 10.0056 122.1889 54.2373 31.1186 175.1166 251 A 4.1111 8.3827 124.3703 54.3633 18.1737 177.3477 252 G 4.1116 9.8020 113.1514 45.5631 0.0000 172.7933 253 D 4.9220 8.4747 119.9681 55.3840 42.1056 176.0854 254 V 5.3016 9.3375 122.2697 61.1724 34.6869 174.0495 255 A 5.0233 9.4620 128.0945 50.1748 22.5925 174.9597 256 I 4.9590 8.3085 121.2100 59.1506 41.1743 174.6493 257 W 5.1672 8.1282 123.0508 54.5642 32.0886 174.5627 258 D 4.7854 9.0948 122.3227 53.3588 40.3784 176.4484 259 N 4.9606 8.9880 124.6648 55.5967 39.2355 176.1516 260 R 4.3872 8.1697 115.1557 58.6239 30.4212 177.2577 261 A 4.9586 8.5862 117.0489 52.0979 22.2771 175.3536 262 T 5.9264 8.0244 105.5328 59.8650 72.6678 172.4948 263 Q 5.0947 8.7054 120.0055 54.6415 33.2658 173.7361 264 H 5.0526 8.7707 115.0311 54.8256 32.5708 171.7140 265 Y 4.3050 8.1462 118.9504 55.7205 42.2526 173.2295 266 A 4.8727 7.8989 128.7316 49.9156 20.4848 176.7498 267 V 3.7473 8.4274 123.9680 63.5456 31.9433 176.8111 268 D 4.3400 8.5969 130.5547 52.8197 39.6516 174.9594 269 D 4.8664 7.8796 119.4469 52.7048 40.7239 177.1348 270 Y 4.6125 7.2394 115.2268 56.3944 39.6303 176.9889 271 G 3.7203 7.4181 112.2931 47.6117 0.0000 174.8510 272 T 4.4872 8.7081 113.1032 60.5726 69.2195 174.2698 273 Q 4.0408 7.8926 121.3584 56.4380 29.3292 175.0908 274 P 4.6058 0.0000 0.0000 62.4469 32.4839 175.9680 275 R 4.5471 8.2648 123.1834 54.9832 32.8919 174.0478 276 I 4.8119 8.8599 127.0811 59.6645 41.3656 174.9308 277 V 4.7442 8.3672 118.7696 59.5335 35.9127 174.7793 278 R 5.2049 9.1383 121.6666 54.4461 34.0502 174.5609 279 R 5.0894 9.0210 122.4123 54.5255 33.8186 174.0469 280 V 4.8272 9.2378 125.5908 61.2861 34.6508 174.4823 281 T 5.0037 8.5039 116.8887 60.0393 72.1959 172.8151 282 L 5.1817 8.2185 121.5819 52.4782 44.8581 176.3253 283 A 4.3017 9.2308 125.2657 52.3668 19.1877 176.6590 284 G 4.1835 8.3531 108.5009 43.6966 0.0000 172.7110 285 E 4.4383 8.2497 117.8306 55.4873 31.8335 173.3732 286 V 4.0122 8.0826 117.8911 63.0519 32.3837 173.8312 287 P 4.1112 0.0000 0.0000 63.1615 32.4617 175.0536 288 V 4.6934 8.4000 123.1859 61.1570 34.7427 175.7602 289 G 4.3620 8.5806 116.9541 43.0827 0.0000 174.3931 290 V 3.5130 8.3927 120.4363 66.0731 31.3694 176.9875 291 D 4.8049 8.1684 117.0576 52.6562 39.8432 181.3372 292 G 4.0919 8.2481 110.5607 47.3801 0.0000 175.5792 293 Q 4.3670 7.6386 117.1751 54.9983 28.8237 180.6940 294 L 5.4236 8.1648 116.7384 53.4555 44.6548 176.9193 295 S 4.9710 8.3690 118.7937 59.7634 63.9215 175.0217 296 R 4.7233 8.7073 121.4187 55.4957 33.3203 175.6427 297 T 4.5872 8.7976 121.8139 62.6141 69.4839 174.9415 298 T 4.1894 9.1356 115.4877 61.8709 68.9075 173.6394 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 13 L 8.28 4.18 0.00 1.68 1.53 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.56 4.27 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 15 L 8.30 4.32 0.00 1.65 1.71 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.38 4.61 0.00 2.84 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 17 V 8.03 4.65 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 0.79 0.00 0.00 0.92 0.00 0.00 18 H 9.48 4.78 0.00 3.05 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 1.93 2.02 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 20 V 8.79 4.05 2.25 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 0.81 0.00 0.00 1.20 0.00 0.00 21 A 7.77 4.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.78 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.35 4.63 0.00 1.78 1.92 0.00 3.21 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 24 I 7.68 4.18 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 1.07 0.00 0.00 25 G 10.07 4.48 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 0.00 26 A 7.90 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.51 4.48 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 28 I 8.23 4.68 1.25 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.22 1.11 0.00 0.00 29 R 9.09 4.35 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 30 G 8.74 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.80 4.20 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 0.80 0.00 0.00 1.09 0.00 0.00 32 K 8.52 4.27 0.00 1.79 1.76 0.00 1.41 0.00 0.00 1.23 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.30 7.81 33 L 8.35 3.86 0.00 1.35 0.82 -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.22 4.64 0.00 3.90 3.74 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 35 P 0.00 4.89 0.00 2.06 2.12 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.32 0.00 36 D 7.79 4.99 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.95 4.52 0.00 1.67 1.62 1.22 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.26 4.79 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.54 3.92 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 40 A 8.24 3.97 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 41 T 7.68 3.81 4.26 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 1.26 0.00 0.00 42 V 7.80 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 43 E 8.57 3.91 0.00 2.05 2.04 0.00 0.00 0.00 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 2.31 0.00 44 A 8.24 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.74 2.19 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.85 1.09 0.00 0.00 46 Q 8.12 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 47 A 8.30 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.93 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 49 L 8.20 3.81 0.00 1.85 1.92 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.36 3.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.04 0.00 0.00 51 R 8.05 3.94 0.00 1.86 1.65 0.00 3.21 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 52 H 8.66 4.65 0.00 3.15 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.16 4.41 0.00 2.06 2.06 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.57 7.81 54 V 6.97 4.74 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 -0.39 0.00 0.00 55 I 7.93 4.46 1.34 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 1.10 0.64 0.71 0.00 0.00 56 F 7.92 4.70 0.00 2.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.07 5.12 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.61 5.08 0.00 1.60 1.74 0.00 3.25 0.00 0.00 3.89 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.94 0.00 0.00 220 K 9.22 4.17 0.00 1.51 1.60 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.27 7.81 221 G 9.95 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 0.00 0.00 0.00 222 Y 7.48 4.64 0.00 2.97 2.92 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 0.00 223 S 8.68 4.32 0.00 4.10 4.08 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 0.00 0.00 0.00 0.00 224 L 8.61 3.91 0.00 1.79 1.76 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 225 A 7.93 4.05 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 0.00 226 D 7.86 4.34 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 S 8.35 4.10 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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236 G 7.49 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 4.16 0.00 3.34 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 7.12 3.51 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.83 0.00 0.00 239 T 6.73 3.41 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 240 R 7.14 3.85 0.00 1.92 1.74 0.00 3.04 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 241 L 8.74 3.96 0.00 1.71 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 242 E 8.22 3.90 0.00 1.90 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 2.31 2.41 0.00 243 N 8.50 4.72 0.00 2.88 2.79 0.00 0.00 6.45 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 T 8.16 5.90 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 1.20 0.00 0.00 245 V 8.34 4.66 2.38 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 1.07 0.00 0.00 1.11 0.00 0.00 246 R 8.83 5.21 0.00 1.87 1.86 0.00 3.17 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 247 W 9.32 4.34 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 R 7.44 4.94 0.00 1.62 1.41 0.00 2.99 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 249 W 8.94 4.81 0.00 3.43 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 0.00 250 E 10.01 4.69 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 251 A 8.38 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.80 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 D 8.47 4.92 0.00 3.41 3.08 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 0.00 0.00 0.00 0.00 254 V 9.34 5.30 2.23 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 1.18 0.00 0.00 0.93 0.00 0.00 255 A 9.46 5.02 1.16 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 0.00 0.00 0.00 256 I 8.31 4.96 1.86 0.00 0.00 1.18 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 0.95 0.94 0.00 0.00 257 W 8.13 5.17 0.00 3.48 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 0.00 258 D 9.09 4.79 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 N 8.99 4.96 0.00 2.99 3.29 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 R 8.17 4.39 0.00 1.91 1.97 0.00 2.93 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 261 A 8.59 4.96 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 0.00 262 T 8.02 5.93 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 1.45 0.00 0.00 263 Q 8.71 5.09 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 264 H 8.77 5.05 0.00 1.86 2.28 0.00 5.24 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 Y 8.15 4.30 0.00 1.43 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 0.00 266 A 7.90 4.87 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 267 V 8.43 3.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 268 D 8.60 4.34 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.87 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.24 4.61 0.00 3.15 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 0.00 271 G 7.42 3.72 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 0.00 0.00 0.00 272 T 8.71 4.49 4.27 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 1.22 0.00 0.00 273 Q 7.89 4.04 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 274 P 0.00 4.61 0.00 1.92 1.97 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 275 R 8.26 4.55 0.00 0.94 1.40 0.00 2.21 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.00 276 I 8.86 4.81 1.82 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 1.21 0.54 0.90 0.00 0.00 277 V 8.37 4.74 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 0.35 0.00 0.00 0.87 0.00 0.00 278 R 9.14 5.20 0.00 1.66 1.77 0.00 3.25 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 279 R 9.02 5.09 0.00 1.94 1.80 0.00 3.14 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 280 V 9.24 4.83 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 0.93 0.00 0.00 0.95 0.00 0.00 281 T 8.50 5.00 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 1.24 0.00 0.00 282 L 8.22 5.18 0.00 1.54 1.50 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 283 A 9.23 4.30 1.22 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 0.00 0.00 0.00 284 G 8.35 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 E 8.25 4.44 0.00 1.68 1.86 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 2.31 1.87 0.00 286 V 8.08 4.01 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 0.95 0.00 0.00 0.91 0.00 0.00 287 P 0.00 4.11 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.67 0.00 288 V 8.40 4.69 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 289 G 8.58 4.36 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 0.00 290 V 8.39 3.51 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 0.81 0.00 0.00 0.92 0.00 0.00 291 D 8.17 4.80 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 G 8.25 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 293 Q 7.64 4.37 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 294 L 8.16 5.42 0.00 1.70 1.65 0.95 0.95 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 0.00 295 S 8.37 4.97 0.00 3.85 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 0.00 296 R 8.71 4.72 0.00 1.46 1.72 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 297 T 8.80 4.59 4.30 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 1.36 0.00 0.00 298 T 9.14 4.19 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.