NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6846 8.3644 121.4698 53.8111 41.3044 174.1208 3 Q 4.3119 8.4717 125.5302 53.3533 30.8712 173.4090 4 K 4.3039 8.8055 125.6704 56.1354 33.6808 177.4400 5 L 4.0268 8.9029 125.5345 58.1935 42.0740 179.7109 6 S 4.1252 8.3957 114.5762 61.8147 62.6934 176.4001 7 D 4.5081 8.1448 122.4722 56.6246 40.3822 178.2186 8 F 4.4453 8.1482 121.6838 61.2361 39.6899 176.6614 9 H 4.1865 8.5755 115.4855 58.7442 28.5220 177.6376 10 A 4.2989 8.2315 122.1956 54.6852 17.9056 179.3711 11 E 4.1298 7.8122 116.7559 57.8703 30.3496 177.2781 12 S 4.4639 7.6976 115.3779 56.1693 62.4513 173.7865 13 G 3.9469 9.0492 110.0804 44.0312 0.0000 173.2365 14 G 3.9356 8.2440 109.3665 45.1559 0.0000 174.0588 15 C 4.2217 8.6322 117.1726 63.1815 28.3514 176.2303 16 E 4.5013 8.1522 114.5082 57.7778 29.6819 182.5155 17 S 4.3871 7.8034 111.8142 61.4938 62.7140 175.0794 18 C 4.6937 8.1474 116.7911 59.5600 30.3038 172.9998 19 H 5.2185 8.0029 116.6731 53.1336 31.0462 173.2572 20 K 3.5646 7.8049 125.2433 57.4960 32.1709 176.2778 21 D 4.1709 9.6004 124.2245 55.1539 38.3355 174.7437 22 G 3.9722 8.3828 105.7436 45.8386 0.0000 174.0268 23 T 4.5514 7.3434 116.0164 60.4158 70.8055 172.5260 24 P 4.4627 0.0000 0.0000 62.5014 32.0053 176.4761 25 S 4.4057 8.7005 116.2289 57.8373 63.9864 174.0086 26 A 4.2683 8.4102 123.4905 54.1627 18.8016 178.3677 27 D 4.4647 8.1475 113.4688 53.5070 40.4201 177.6671 28 G 3.9935 8.5313 108.0602 45.5795 0.0000 175.3981 29 A 4.0921 8.6364 122.9246 55.1299 18.4209 179.8190 30 F 4.0255 8.3613 118.7283 61.5176 39.2313 176.9254 31 E 4.3286 8.4145 118.9756 58.9595 29.4741 178.9187 32 F 4.4255 8.4489 120.3778 61.3799 39.3522 176.8703 33 A 3.6714 8.0458 120.3195 55.1181 18.0110 179.7020 34 Q 3.7041 7.7364 116.3523 59.1933 28.8097 178.4548 35 C 4.0535 8.0865 117.7495 63.3325 28.1853 176.5245 36 Q 4.4791 7.7390 120.3074 58.2607 27.9591 178.4693 37 S 3.9637 7.9865 113.9437 61.4360 62.3979 175.4655 38 C 4.2940 7.7243 117.4454 61.4706 28.4368 174.7622 39 H 4.7458 8.2436 115.6573 54.5196 30.0798 174.8094 40 G 3.8089 8.3466 109.1334 45.1502 0.0000 173.1358 41 K 4.6498 8.0979 119.0249 52.7812 33.3390 175.2821 42 L 4.1322 8.6528 120.2242 58.3401 41.6998 180.1039 43 S 4.2351 8.1185 111.6019 60.5444 63.0523 174.5438 44 E 4.4566 8.1304 119.1294 56.2720 29.4128 175.2149 45 M 4.5779 7.5820 120.1877 53.4253 34.6305 175.0507 46 D 4.7144 8.1924 119.1580 53.1161 42.1986 176.3057 47 A 4.0011 8.4604 120.0487 55.0040 18.2767 179.5301 48 V 3.7544 7.8762 116.1328 66.0798 32.0435 177.4920 49 H 4.4140 8.4309 115.5822 58.5948 28.8469 177.3516 50 K 4.0726 8.2713 121.6091 59.2777 31.7866 176.7700 51 P 4.3311 0.0000 0.0000 64.9947 31.5721 176.4857 52 H 4.5872 8.2645 114.6557 55.4595 29.2472 174.4571 53 D 4.5956 7.8420 120.6796 56.0313 41.1232 176.3948 54 G 4.0883 9.2770 115.4803 45.2541 0.0000 173.2760 55 N 4.7569 7.9845 115.0030 53.7364 40.3584 174.7826 56 L 4.8540 7.7389 115.3800 52.8413 45.2160 176.2448 57 V 3.2737 8.2038 114.2333 59.4153 33.5109 177.2505 58 C 4.0712 8.6797 118.3981 63.2531 28.3669 176.4573 59 A 4.8272 7.8160 120.3846 53.9318 18.1948 178.8963 60 D 4.2845 7.8451 115.3878 56.5258 41.2160 176.8097 61 C 4.4123 7.4328 112.5218 61.3424 30.0545 174.3095 62 H 4.4392 8.3070 121.4029 54.7901 27.4033 174.1448 63 A 4.5597 8.0953 128.9942 50.5293 17.5206 178.0113 64 V 3.7360 8.0363 115.6237 64.4913 32.0676 178.1585 65 H 4.5892 8.0554 114.2495 55.9913 29.0903 175.3238 66 D 4.8715 8.0275 117.5119 54.1297 42.9330 176.0964 67 M 4.6488 7.6776 118.4543 53.2995 34.3497 175.2611 68 N 4.9740 8.3234 119.3113 52.3327 39.6960 174.8771 69 V 3.5094 8.0245 121.1602 64.8751 31.6471 176.2869 70 G 3.9153 8.7585 115.8574 45.2651 0.0000 173.2220 71 Q 3.9937 7.6860 121.3042 55.8714 29.3148 175.3990 72 K 4.3651 8.4183 125.1906 54.4994 33.2709 175.0584 73 P 4.2652 0.0000 0.0000 63.0970 31.8180 175.8814 74 T 4.6324 8.0657 111.2903 60.3863 71.4571 173.2316 75 C 4.8116 8.2399 115.6769 59.8246 29.6754 176.1654 76 E 4.5415 8.3908 117.2053 58.2893 29.4242 179.0643 77 S 4.2863 8.0645 113.2469 60.4148 63.2333 174.5001 78 C 4.7143 7.5550 116.4499 59.1313 30.4226 173.6657 79 H 4.9112 8.4621 119.3693 54.7017 30.7709 174.8131 80 D 4.8123 8.5592 121.2094 53.4492 40.6770 174.9842 81 D 4.4943 8.0325 115.9177 54.4708 39.6518 177.2532 82 G 3.9148 7.7733 107.8473 45.5343 0.0000 174.2863 83 R 4.0818 8.1806 116.3754 56.6114 30.0240 176.3740 84 T 4.7347 9.1033 109.5803 59.1877 73.3727 175.0734 85 S 4.1173 8.6566 116.3641 61.5887 62.5936 176.4962 86 A 4.0123 7.8951 123.4174 55.0084 18.2945 179.2736 87 S 4.1949 7.8205 111.8597 61.3790 63.1353 176.6680 88 V 3.7406 7.6707 121.0161 65.5387 31.5009 175.7306 89 L 4.1880 8.1587 122.1530 55.0035 41.5083 176.6499 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 *2 D 8.36 4.68 0.00 2.48 2.55 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 3 Q 8.47 4.31 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.04 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 4 K 8.81 4.30 0.00 1.77 1.75 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.42 7.81 5 L 8.90 4.03 0.00 1.76 1.85 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.40 4.13 0.00 3.96 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 0.00 7 D 8.14 4.51 0.00 2.94 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 8 F 8.15 4.45 0.00 3.02 3.31 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 0.00 9 H 8.58 4.19 0.00 3.50 3.35 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.23 4.30 1.42 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 0.00 0.00 0.00 11 E 7.81 4.13 0.00 1.87 1.95 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 2.33 2.59 0.00 12 S 7.70 4.46 0.00 3.73 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 13 G 9.05 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 0.00 0.00 0.00 14 G 8.24 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 0.00 0.00 0.00 15 C 8.63 4.22 0.00 3.05 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 16 E 8.15 4.50 0.00 1.99 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 2.23 1.86 0.00 17 S 7.80 4.39 0.00 3.95 4.06 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 0.00 0.00 0.00 18 C 8.15 4.69 0.00 2.87 2.89 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 19 H 8.00 5.22 0.00 3.38 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.80 3.56 0.00 0.79 1.07 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.03 7.81 21 D 9.60 4.17 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.34 4.55 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 1.16 0.00 0.00 24 P 0.00 4.46 0.00 2.12 1.85 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 25 S 8.70 4.41 0.00 4.06 3.96 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 0.00 0.00 0.00 0.00 26 A 8.41 4.27 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 27 D 8.15 4.46 0.00 2.83 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 28 G 8.53 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 0.00 0.00 0.00 29 A 8.64 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.03 0.00 3.23 3.10 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 31 E 8.41 4.33 0.00 2.40 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 0.00 2.52 2.62 0.00 32 F 8.45 4.43 0.00 3.02 3.24 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 33 A 8.05 3.67 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 34 Q 7.74 3.70 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.16 2.61 0.00 35 C 8.09 4.05 0.00 3.00 3.04 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 36 Q 7.74 4.48 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.24 1.82 0.00 37 S 7.99 3.96 0.00 3.82 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 38 C 7.72 4.29 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.24 4.75 0.00 3.25 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.35 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.10 4.65 0.00 1.69 1.68 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.02 7.81 42 L 8.65 4.13 0.00 1.80 1.86 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.12 4.24 0.00 3.99 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 0.00 44 E 8.13 4.46 0.00 2.05 2.00 0.00 0.00 0.00 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 2.39 0.00 45 M 7.58 4.58 0.00 1.93 2.17 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 2.75 2.40 0.00 46 D 8.19 4.71 0.00 2.98 2.86 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 47 A 8.46 4.00 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 48 V 7.88 3.75 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 0.82 0.00 0.00 0.94 0.00 0.00 49 H 8.43 4.41 0.00 3.48 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.27 4.07 0.00 2.11 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 51 P 0.00 4.33 0.00 1.88 2.03 0.00 3.84 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 2.05 2.09 0.00 52 H 8.26 4.59 0.00 3.44 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.84 4.60 0.00 2.75 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 54 G 9.28 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 55 N 7.98 4.76 0.00 2.71 2.85 0.00 0.00 6.73 7.85 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 56 L 7.74 4.85 0.00 1.57 1.52 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.20 3.27 1.17 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 -0.15 0.00 0.00 0.81 0.00 0.00 58 C 8.68 4.07 0.00 3.10 3.10 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 59 A 7.82 4.83 1.31 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 0.00 0.00 0.00 60 D 7.85 4.28 0.00 2.76 2.69 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 0.00 0.00 0.00 61 C 7.43 4.41 0.00 2.86 2.77 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 0.00 0.00 0.00 62 H 8.31 4.44 0.00 3.18 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.10 4.56 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 64 V 8.04 3.74 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 0.82 0.00 0.00 0.86 0.00 0.00 65 H 8.06 4.59 0.00 3.18 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.03 4.87 0.00 2.67 2.70 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 0.00 0.00 0.00 0.00 67 M 7.68 4.65 0.00 2.06 1.96 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 2.71 2.66 0.00 68 N 8.32 4.97 0.00 2.73 2.69 0.00 0.00 6.69 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.02 3.51 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 0.00 0.00 0.42 0.00 0.00 70 G 8.76 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 71 Q 7.69 3.99 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 72 K 8.42 4.37 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.44 7.81 73 P 0.00 4.27 0.00 1.91 2.03 0.00 3.57 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 1.67 1.91 0.00 74 T 8.07 4.63 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 1.20 0.00 0.00 75 C 8.24 4.81 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.54 0.00 2.11 2.21 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 2.35 2.20 0.00 77 S 8.06 4.29 0.00 3.98 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 78 C 7.55 4.71 0.00 2.99 2.81 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 0.00 0.00 0.00 79 H 8.46 4.91 0.00 3.26 3.14 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.56 4.81 0.00 2.59 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 81 D 8.03 4.49 0.00 2.78 2.81 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 0.00 0.00 0.00 82 G 7.77 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 83 R 8.18 4.08 0.00 1.87 2.01 0.00 2.64 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 84 T 9.10 4.73 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 1.26 0.00 0.00 85 S 8.66 4.12 0.00 4.06 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 86 A 7.90 4.01 1.31 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 0.00 0.00 0.00 87 S 7.82 4.19 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.67 3.74 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 0.88 0.00 0.00 0.95 0.00 0.00 89 L 8.16 4.19 0.00 1.75 1.57 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.