NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8817 8.4104 110.3402 61.5475 69.0680 171.6293 4 A 4.1933 8.0975 135.0000 53.3372 20.8326 176.2358 5 Y 4.1344 8.3995 113.1428 59.5417 39.7329 175.8075 6 D 4.9209 8.0705 121.4902 54.4063 40.4890 178.2323 7 V 4.0928 7.7734 118.3775 64.1327 34.3542 175.7192 8 I 4.2500 7.3465 119.6437 65.6851 36.3625 178.0779 9 L 3.6456 6.7254 120.7788 56.7615 41.7834 178.0107 10 A 4.7424 7.8247 119.1466 50.6408 22.1994 172.6665 11 P 5.2805 0.0000 0.0000 60.8343 33.0452 174.6623 12 V 3.4279 7.6960 107.5940 61.3875 32.0990 176.0234 13 L 3.8893 7.8497 123.2957 53.2482 38.7702 174.1892 14 S 4.6590 6.0095 118.4284 56.4042 64.1846 177.2576 15 E 3.4740 7.3026 118.0026 60.5295 28.7471 178.5732 16 K 3.7480 7.9835 124.1096 60.0606 32.8169 177.5617 17 A 3.7512 7.0172 121.1533 53.2040 17.6839 178.6490 18 Y 3.1784 7.5456 112.7539 61.2468 38.4207 180.1823 19 A 3.8740 7.7892 120.8160 55.0002 19.0784 178.9512 20 G 3.4839 8.0154 105.1016 47.4912 0.0000 175.3793 21 F 4.2461 9.1194 117.5896 58.1451 39.1437 176.2218 22 A 4.0938 7.5466 123.6059 54.9736 18.9714 178.0829 23 E 4.8120 7.5656 116.8189 55.9667 31.5157 178.7396 24 G 4.1656 8.4637 103.4576 46.7382 0.0000 172.4519 25 K 5.1384 7.3854 118.9406 55.1914 36.5417 176.0578 26 Y 4.4724 8.3449 119.1822 56.3334 42.6160 174.6716 27 T 4.7905 8.2120 112.6489 58.0390 69.3319 172.3716 28 F 4.6371 7.0607 124.5269 55.0188 41.7407 175.2701 29 W 5.1511 7.6586 120.3579 57.5264 29.9498 175.8204 30 V 5.2431 8.2928 112.3857 61.0434 34.9835 173.4284 31 H 4.6873 9.0494 121.1515 55.8080 30.1086 174.4305 32 P 3.7260 0.0000 0.0000 65.6921 32.4612 176.8527 33 K 4.1464 7.1737 120.9379 55.3532 30.7934 177.6964 34 A 4.7658 7.1915 119.8998 48.8995 20.2195 176.7467 35 T 4.0254 8.2828 118.1762 64.6258 70.4835 174.0673 36 K 4.4253 8.3448 122.3436 57.9348 33.2183 178.0863 37 T 4.3485 7.5589 118.1162 65.7159 69.5903 176.6258 38 E 3.9765 7.8925 120.0523 59.3875 29.4777 178.9523 39 I 3.7945 7.9179 118.9736 63.4732 37.4002 176.9659 40 K 4.3554 7.6013 118.6568 58.2921 33.1165 177.2688 41 N 4.5218 7.7991 111.9634 54.2723 38.3923 175.8157 42 A 4.5801 7.6182 121.0002 51.6394 20.3838 177.1116 43 V 4.0875 7.8787 115.1467 62.1601 32.5529 175.2405 44 E 4.5546 8.1509 117.8282 56.9952 30.1931 175.4415 45 T 4.3256 7.3412 106.3517 63.8916 70.5693 176.2809 46 A 4.1089 7.5628 125.2281 52.4034 18.6614 177.2737 47 F 4.5392 7.8949 114.2656 55.5245 42.2205 175.7473 48 K 4.4239 8.5864 125.9202 55.8348 31.0024 177.4674 49 V 4.1998 6.9691 123.4176 60.4005 39.9185 173.1740 50 K 4.2902 8.1242 124.4648 56.9321 35.2132 174.2636 51 V 3.9596 8.1064 128.5276 63.0294 32.2175 174.2491 52 V 3.8486 9.6554 125.5064 62.5473 31.2504 175.7969 53 K 4.4688 7.8688 130.8289 54.2022 32.8013 175.8617 54 V 4.0889 8.0897 124.9475 62.6686 32.9410 174.4075 55 N 5.2692 8.6377 121.3532 51.8788 42.9218 173.6711 56 T 5.2128 8.1717 111.5560 60.1864 72.6043 172.9697 57 L 4.3913 8.1876 117.5438 55.2266 43.9322 174.0225 58 H 4.4009 9.1966 120.6385 56.3114 30.2535 175.1147 59 V 4.3755 8.4603 119.4235 62.0169 35.1136 172.8488 60 R 5.3316 8.2052 129.2528 54.6892 30.5798 176.3357 61 G 3.6619 8.6642 116.0627 45.1410 0.0000 172.8466 62 K 3.9435 8.3873 122.0293 56.1061 33.8455 174.8039 63 K 4.8152 8.4500 122.0187 54.9390 33.7599 175.2932 64 K 4.7689 8.4082 124.4932 54.9693 36.6637 175.3682 65 R 4.4217 8.8473 119.7494 56.9081 32.6502 173.2601 66 L 5.3845 8.1843 132.2991 56.3659 46.6625 175.0807 67 G 4.1541 8.2034 119.6394 46.9136 0.0000 173.7047 68 R 4.3688 9.1431 120.2880 55.4787 29.0358 174.8847 69 Y 4.2064 8.0373 118.4629 56.9225 37.8184 173.8103 70 L 4.9065 8.3121 127.3163 53.5599 44.1390 176.0735 71 G 4.0377 9.2071 113.6313 45.5454 0.0000 171.0811 72 K 4.8692 8.4511 120.3315 54.8128 36.5093 176.6313 73 R 4.0167 8.5614 124.0824 55.2676 30.3204 174.6872 74 P 4.0344 0.0000 0.0000 62.2734 31.7899 175.2809 75 D 4.6167 8.6272 122.3588 54.3291 42.5384 175.6703 76 R 4.9354 8.4848 120.4681 54.3495 34.9145 173.6138 77 K 5.0387 8.6217 119.2178 54.9913 35.7556 175.6344 78 K 5.2253 8.5219 124.5210 55.5540 36.3055 174.5954 79 A 4.9127 8.4126 119.9354 51.1413 22.8463 175.5515 80 I 4.9331 8.0762 113.6417 58.9323 39.8500 175.1303 81 V 4.4369 7.9085 115.9007 59.7936 34.9567 174.6675 82 Q 5.3690 8.6819 127.7261 54.4850 29.0120 174.5294 83 V 4.1687 8.2659 125.6020 61.8188 32.3480 175.1338 84 A 4.2529 8.7423 128.5280 51.3272 19.5343 175.6561 85 P 4.4004 0.0000 0.0000 64.1707 32.0877 176.0458 86 G 4.3189 8.9942 113.3593 46.1079 0.0000 174.4926 87 Q 4.0146 7.1896 118.4202 55.6743 29.0194 176.7156 88 K 4.5022 8.4263 121.2955 54.9618 34.7008 176.0262 89 I 3.8775 9.2005 126.3363 61.6542 36.3652 176.7050 90 E 4.0214 8.7106 125.9595 58.4740 30.1090 178.3138 91 A 4.1630 8.2830 120.9394 55.4109 18.5701 178.7540 92 L 4.2280 8.1237 113.6846 58.1170 41.9100 177.2576 93 E 3.5609 7.2754 121.3660 55.9385 27.6688 175.5509 94 G 3.8230 7.5763 115.5647 46.5637 0.0000 171.8131 *95 L 4.1219 7.8426 125.0473 53.6425 41.6291 178.8004 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 3 T 8.41 4.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 4 A 8.10 4.19 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 5 Y 8.40 4.13 0.00 3.08 3.05 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 6 D 8.07 4.92 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.77 4.09 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 1.12 0.00 0.00 0.99 0.00 0.00 8 I 7.35 4.25 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.06 0.07 0.00 0.00 9 L 6.73 3.65 0.00 1.79 1.70 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 4.74 1.53 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 11 P 0.00 5.28 0.00 2.42 2.27 0.00 4.06 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 12 V 7.70 3.43 1.79 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 0.68 0.00 0.00 1.13 0.00 0.00 13 L 7.85 3.89 0.00 1.98 1.88 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.01 4.66 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.30 3.47 0.00 2.01 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 2.37 2.44 0.00 16 K 7.98 3.75 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.43 7.81 17 A 7.02 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.55 3.18 0.00 3.03 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 19 A 7.79 3.87 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 20 G 8.02 3.48 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 21 F 9.12 4.25 0.00 3.01 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 22 A 7.55 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.57 4.81 0.00 1.88 1.75 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 2.18 2.31 0.00 24 G 8.46 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.39 5.14 0.00 1.71 1.44 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 26 Y 8.34 4.47 0.00 2.23 2.50 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 27 T 8.21 4.79 3.90 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 0.00 0.00 0.91 0.00 0.00 28 F 7.06 4.64 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.66 5.15 0.00 3.40 3.19 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 30 V 8.29 5.24 2.13 0.00 0.00 0.00 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 1.02 0.00 0.00 31 H 9.05 4.69 0.00 3.05 3.23 0.00 5.96 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 32 P 0.00 3.73 0.00 1.96 1.93 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 33 K 7.17 4.15 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 34 A 7.19 4.77 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 35 T 8.28 4.03 4.31 0.00 0.00 0.00 0.00 0.00 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 36 K 8.34 4.43 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 37 T 7.56 4.35 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 1.21 0.00 0.00 38 E 7.89 3.98 0.00 2.15 1.99 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 2.41 2.41 0.00 39 I 7.92 3.79 1.93 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 1.48 0.76 0.94 0.00 0.00 40 K 7.60 4.36 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.50 7.81 41 N 7.80 4.52 0.00 2.72 2.84 0.00 0.00 6.94 8.38 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 42 A 7.62 4.58 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 43 V 7.88 4.09 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 0.40 0.00 0.00 0.73 0.00 0.00 44 E 8.15 4.55 0.00 2.14 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 2.27 2.33 0.00 45 T 7.34 4.33 4.24 0.00 0.00 0.00 0.00 0.00 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 46 A 7.56 4.11 0.99 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 0.00 0.00 47 F 7.89 4.54 0.00 3.11 2.91 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 48 K 8.59 4.42 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.41 7.81 49 V 6.97 4.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.06 0.00 0.00 50 K 8.12 4.29 0.00 1.79 1.62 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.63 7.81 51 V 8.11 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 52 V 9.66 3.85 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 0.78 0.00 0.00 1.01 0.00 0.00 53 K 7.87 4.47 0.00 1.75 1.68 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.45 7.81 54 V 8.09 4.09 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 0.87 0.00 0.00 0.94 0.00 0.00 55 N 8.64 5.27 0.00 2.61 2.59 0.00 0.00 6.75 6.78 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 56 T 8.17 5.21 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 1.22 0.00 0.00 57 L 8.19 4.39 0.00 1.71 1.77 0.94 1.05 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 58 H 9.20 4.40 0.00 3.05 3.33 0.00 5.73 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 59 V 8.46 4.38 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 0.95 0.00 0.00 1.08 0.00 0.00 60 R 8.21 5.33 0.00 1.85 1.84 0.00 3.12 0.00 0.00 3.89 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 61 G 8.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.39 3.94 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.50 7.81 63 K 8.45 4.82 0.00 1.75 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.65 7.81 64 K 8.41 4.77 0.00 1.82 1.65 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 R 8.85 4.42 0.00 1.71 1.80 0.00 3.57 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 66 L 8.18 5.38 0.00 2.05 1.66 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.20 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 0.00 0.00 0.00 68 R 9.14 4.37 0.00 1.72 1.96 0.00 2.21 0.00 0.00 2.52 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 69 Y 8.04 4.21 0.00 3.06 3.01 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 0.00 0.00 0.00 0.00 70 L 8.31 4.91 0.00 1.63 1.53 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.45 4.87 0.00 1.59 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.47 7.81 73 R 8.56 4.02 0.00 1.97 1.83 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 74 P 0.00 4.03 0.00 2.11 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 75 D 8.63 4.62 0.00 2.71 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 76 R 8.48 4.94 0.00 1.72 1.77 0.00 3.04 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 77 K 8.62 5.04 0.00 1.61 1.58 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.34 7.81 78 K 8.52 5.23 0.00 1.57 1.87 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.66 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.52 1.34 7.81 79 A 8.41 4.91 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 80 I 8.08 4.93 1.74 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 1.31 1.22 0.77 0.00 0.00 81 V 7.91 4.44 2.10 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 0.87 0.00 0.00 0.85 0.00 0.00 82 Q 8.68 5.37 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 83 V 8.27 4.17 2.26 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 0.93 0.00 0.00 0.98 0.00 0.00 84 A 8.74 4.25 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 85 P 0.00 4.40 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 86 G 8.99 4.32 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 0.00 87 Q 7.19 4.01 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 88 K 8.43 4.50 0.00 2.00 1.81 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 89 I 9.20 3.88 1.96 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 1.11 0.00 0.00 90 E 8.71 4.02 0.00 1.96 1.99 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 2.46 2.24 0.00 91 A 8.28 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.12 4.23 0.00 1.87 1.97 1.23 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.28 3.56 0.00 1.83 1.73 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 1.61 2.24 0.00 94 G 7.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.84 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.