NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7396 8.1833 119.3582 57.5003 41.4364 173.2646 3 Y 4.8175 8.7740 119.8472 55.3818 41.0582 170.7468 4 E 5.1909 10.6298 127.7885 54.7491 32.4687 174.1039 5 I 4.9217 9.1488 128.3743 59.7998 39.8299 174.6025 6 R 5.0224 8.6371 126.7667 54.6117 32.5637 175.4151 7 T 4.9232 8.8408 120.3301 61.9410 71.6924 172.6937 8 Y 5.3741 8.9669 124.0655 56.1747 42.0492 174.6375 9 R 4.9242 9.1803 123.1358 54.8165 32.2882 175.5241 10 L 4.9038 8.8574 127.1390 52.9608 43.8477 176.4622 11 K 4.2794 8.8698 121.9923 55.7833 33.3566 175.5588 12 N 4.4961 8.7802 125.0093 56.1601 38.8601 174.7831 13 G 3.9297 9.4081 114.3325 45.5961 0.0000 173.8469 14 A 4.3596 8.1728 121.0221 52.6871 18.8514 179.4292 15 I 3.6902 7.7816 118.9394 63.9209 37.2646 176.1633 16 P 4.1452 0.0000 0.0000 65.5716 31.2391 178.4707 17 A 3.9790 7.9724 118.9084 55.2186 18.3689 178.6851 18 Y 3.9352 8.3119 118.2030 61.1267 38.9617 178.5818 19 L 4.0500 8.6006 120.1249 57.3800 41.5353 179.6449 20 K 3.9046 8.0124 119.9765 59.5374 32.2110 179.4393 21 V 3.6660 7.7161 119.3917 64.4964 31.2524 178.6211 22 V 3.5183 7.6830 119.1069 65.7756 31.1859 177.5285 23 E 3.8053 7.7720 117.5856 59.5861 29.5658 178.3049 24 D 4.5299 8.2179 117.7889 56.5366 41.0268 176.9587 25 E 4.6095 8.6496 115.1057 54.6409 32.1147 176.6959 26 G 3.0213 7.3376 104.4856 45.4939 0.0000 174.8944 27 I 3.7832 7.8998 121.3433 64.0715 37.9327 177.8509 28 E 3.9769 8.0397 118.6896 59.4394 28.9932 179.1186 29 I 3.7057 7.7031 119.3440 64.4686 37.1739 178.0952 30 Q 3.2800 8.2720 120.4464 59.0547 28.9996 178.5144 31 K 4.3409 8.6457 120.2047 59.3305 31.8810 179.4074 32 S 4.2151 8.0891 113.5578 60.6103 62.9133 175.3453 33 H 4.5734 7.1174 118.3166 57.8850 29.6426 176.9925 34 L 4.2491 7.8588 119.3830 54.6330 41.5438 177.9277 35 G 3.9931 8.6603 108.4956 43.6419 0.0000 174.3788 36 E 4.5274 9.0665 125.4734 54.2436 32.4175 175.7829 37 L 3.3452 8.2624 127.7211 54.3704 42.2192 176.4471 38 V 3.8609 8.5195 127.5255 65.0493 32.5896 176.2500 39 G 3.7527 6.9809 103.3809 45.4851 0.0000 172.2483 40 Y 4.5982 7.5428 122.5695 55.7032 41.2577 174.0904 41 F 5.4544 9.4057 125.7804 55.5953 43.3495 174.2425 42 F 5.7079 8.2693 114.9153 54.7005 40.7871 174.8657 43 S 4.2650 8.7790 115.4275 59.4497 63.1604 172.8688 44 E 4.5925 8.7284 119.5174 57.0957 33.1637 175.2457 45 I 4.5184 8.0204 119.0602 60.4945 40.7069 173.0959 46 G 3.9798 8.8325 114.1026 43.2183 0.0000 172.6243 47 P 4.2973 0.0000 0.0000 62.7211 31.7227 175.8609 48 I 4.2546 8.1889 123.7598 61.4726 38.6499 174.8299 49 N 4.3123 8.7333 117.9198 54.7502 35.7258 173.1637 50 E 5.2654 8.0648 117.7017 54.5364 32.8023 174.4048 51 I 5.2017 8.6536 125.9822 59.5313 40.9058 174.6757 52 V 4.8785 9.1318 126.4555 61.3655 34.6244 173.7764 53 H 5.0104 8.7041 122.9346 53.6043 32.0207 172.3372 54 I 5.1549 8.5454 121.2013 59.3897 40.4241 174.5040 55 W 5.1024 9.2591 125.7579 54.7154 32.6629 174.0791 56 A 4.7190 8.1988 125.6764 50.1701 20.1396 176.2736 57 F 4.9207 8.9978 121.2134 55.4486 41.8330 175.8594 58 S 4.3587 9.1718 118.0287 61.0647 63.3527 174.8343 59 S 4.9148 7.6990 113.7705 55.7181 67.1635 174.7000 60 L 3.7112 7.7629 121.7369 57.4063 41.3669 179.2579 61 D 4.3030 7.8122 118.5629 56.7790 40.7905 177.9979 62 D 4.2925 7.7449 118.6809 56.9686 41.1319 178.1566 63 R 2.9957 7.6243 119.0639 59.0568 30.0453 178.2108 64 A 3.7893 7.7059 120.4607 55.0687 18.4004 179.2100 65 E 3.7815 7.9475 117.5601 59.5437 29.7963 179.2932 66 R 3.9053 8.1568 118.3959 59.4329 29.9416 179.4016 67 R 3.7911 7.9581 116.6367 58.7246 30.0122 178.6853 68 A 4.0858 7.5682 120.1679 55.1264 18.7334 179.5933 69 R 4.0443 7.8043 116.2053 58.8908 29.8615 179.4336 70 L 3.5168 7.3700 116.8887 55.2981 41.9419 177.5397 *72 A 4.2549 7.9847 121.6802 51.3079 20.6412 177.1853 73 D 4.4190 7.7356 115.8561 53.8120 41.4228 175.2666 74 P 4.4229 0.0000 0.0000 65.7838 30.9702 178.4509 75 R 4.0939 8.6837 118.5080 58.6082 29.8984 178.5815 76 W 4.4531 8.4827 128.5444 60.5261 30.5365 178.2056 77 L 3.9179 8.0263 117.4756 57.7733 41.1718 179.1562 78 S 4.2644 7.8191 114.2174 60.7731 63.0330 176.0790 79 F 4.2922 7.8099 123.5914 60.9884 39.2787 177.3129 80 L 3.1396 7.3895 118.9089 57.3710 41.2049 177.9355 81 P 4.1603 0.0000 0.0000 64.8133 31.2892 178.0583 82 K 4.0783 7.8064 116.6264 57.5056 32.3846 177.2551 83 I 4.4893 7.3048 110.3430 59.7260 38.9703 177.2064 84 R 3.7476 7.9380 121.1031 59.1102 29.8217 176.4044 85 D 4.7398 7.8090 114.0939 54.1397 41.7531 176.8425 86 L 4.2580 7.8035 120.0655 55.9062 42.2880 176.4059 87 I 4.4901 7.5347 119.5192 60.2280 38.0519 174.7440 88 E 4.3788 9.3500 125.8247 58.0265 30.9442 176.4599 89 V 4.6073 7.6441 117.8461 61.1539 35.1698 173.7202 90 A 5.6262 8.5630 126.5337 50.7869 22.6101 174.6640 91 E 4.9826 8.5688 114.4564 55.9067 32.3565 174.2282 92 N 5.7487 8.7747 117.5065 51.4801 40.9634 173.3894 93 K 4.7851 9.0751 118.0710 55.7431 36.4639 175.1004 94 I 5.4544 8.1894 121.4044 58.9824 39.8906 175.2434 *96 K 4.1521 8.3735 122.3967 55.5896 33.0797 174.2292 97 P 4.2101 0.0000 0.0000 61.9547 32.4018 176.2241 98 A 3.9107 7.8322 123.3246 51.6070 18.8935 178.7459 99 R 3.7873 8.1770 119.1484 58.7495 30.2242 177.8559 100 F 4.8151 6.9421 110.7180 56.3979 38.2032 175.1167 101 S 4.4926 7.5652 116.0418 57.0798 63.1001 172.4592 102 P 4.3860 0.0000 0.0000 65.5677 31.4457 176.4263 103 L 4.2412 7.6798 121.0011 54.9919 41.5665 176.6696 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 F 8.18 4.74 0.00 3.31 3.15 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 3 Y 8.77 4.82 0.00 3.09 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 4 E 10.63 5.19 0.00 2.25 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 2.42 2.40 0.00 5 I 9.15 4.92 1.92 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 1.30 0.71 0.93 0.00 0.00 6 R 8.64 5.02 0.00 1.24 1.61 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 7 T 8.84 4.92 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 1.24 0.00 0.00 8 Y 8.97 5.37 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.18 4.92 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 L 8.86 4.90 0.00 1.50 1.71 0.61 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.87 4.28 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 N 8.78 4.50 0.00 2.71 2.76 0.00 0.00 7.29 7.98 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 13 G 9.41 3.93 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 0.00 0.00 0.00 14 A 8.17 4.36 1.44 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 0.00 0.00 15 I 7.78 3.69 1.89 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 1.67 0.61 0.80 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.07 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 17 A 7.97 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.94 0.00 3.14 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 19 L 8.60 4.05 0.00 1.69 1.65 0.39 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.01 3.90 0.00 1.94 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.42 7.81 21 V 7.72 3.67 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 0.95 0.00 0.00 1.03 0.00 0.00 22 V 7.68 3.52 1.88 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 0.85 0.00 0.00 0.45 0.00 0.00 23 E 7.77 3.81 0.00 1.97 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 0.00 2.28 2.30 0.00 24 D 8.22 4.53 0.00 2.72 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 25 E 8.65 4.61 0.00 2.05 1.94 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 2.24 2.25 0.00 26 G 7.34 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.90 3.78 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.89 0.00 0.00 28 E 8.04 3.98 0.00 2.00 1.97 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 2.37 2.33 0.00 29 I 7.70 3.71 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 1.08 0.00 0.00 30 Q 8.27 3.28 0.00 1.88 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 31 K 8.65 4.34 0.00 1.89 1.96 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.76 1.94 7.81 32 S 8.09 4.22 0.00 3.95 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 33 H 7.12 4.57 0.00 3.00 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.86 4.25 0.00 1.13 1.46 -0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.66 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 36 E 9.07 4.53 0.00 1.79 1.80 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 2.27 2.22 0.00 37 L 8.26 3.35 0.00 0.61 1.20 -0.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.52 3.86 2.15 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 0.84 0.00 0.00 0.99 0.00 0.00 39 G 6.98 3.75 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 0.00 0.00 0.00 40 Y 7.54 4.60 0.00 2.72 2.60 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 41 F 9.41 5.45 0.00 2.94 2.76 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 42 F 8.27 5.71 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 43 S 8.78 4.26 0.00 3.98 3.98 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 0.00 0.00 0.00 0.00 44 E 8.73 4.59 0.00 1.76 1.84 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 2.14 2.35 0.00 45 I 8.02 4.52 1.84 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 1.34 0.77 0.90 0.00 0.00 46 G 8.83 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.17 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 48 I 8.19 4.25 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 0.70 0.95 0.00 0.00 49 N 8.73 4.31 0.00 2.95 3.07 0.00 0.00 6.45 7.66 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 50 E 8.06 5.27 0.00 2.10 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 2.23 2.43 0.00 51 I 8.65 5.20 1.84 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.22 1.01 0.00 0.00 52 V 9.13 4.88 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 1.08 0.00 0.00 0.95 0.00 0.00 53 H 8.70 5.01 0.00 2.62 1.61 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.55 5.15 1.82 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 1.27 1.00 1.07 0.00 0.00 55 W 9.26 5.10 0.00 3.27 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.72 0.74 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 0.00 0.00 57 F 9.00 4.92 0.00 2.95 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 58 S 9.17 4.36 0.00 4.05 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 59 S 7.70 4.91 0.00 4.03 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 60 L 7.76 3.71 0.00 1.33 1.43 0.59 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.30 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.29 0.00 2.79 2.90 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 63 R 7.62 3.00 0.00 0.92 1.61 0.00 2.62 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 64 A 7.71 3.79 1.26 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 0.00 0.00 65 E 7.95 3.78 0.00 2.27 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 2.27 2.31 0.00 66 R 8.16 3.91 0.00 2.04 2.06 0.00 3.49 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 67 R 7.96 3.79 0.00 1.63 1.85 0.00 2.94 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 68 A 7.57 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.04 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 70 L 7.37 3.52 0.00 1.28 1.46 -0.23 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.98 4.25 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 73 D 7.74 4.42 0.00 2.77 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 74 P 0.00 4.42 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.68 4.09 0.00 2.12 2.11 0.00 3.16 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 76 W 8.48 4.45 0.00 3.38 3.35 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 77 L 8.03 3.92 0.00 1.83 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.82 4.26 0.00 4.07 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 79 F 7.81 4.29 0.00 3.00 3.02 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 0.00 0.00 0.00 80 L 7.39 3.14 0.00 1.40 1.41 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.16 0.00 1.87 2.00 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 82 K 7.81 4.08 0.00 1.19 1.65 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.36 1.31 7.81 83 I 7.30 4.49 1.96 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 0.55 0.57 0.57 0.00 0.00 84 R 7.94 3.75 0.00 1.80 1.88 0.00 3.14 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 85 D 7.81 4.74 0.00 2.65 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 86 L 7.80 4.26 0.00 1.99 1.81 1.02 0.89 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 87 I 7.53 4.49 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.64 0.00 0.00 88 E 9.35 4.38 0.00 2.00 1.97 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 2.27 2.22 0.00 89 V 7.64 4.61 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 1.01 0.00 0.00 0.95 0.00 0.00 90 A 8.56 5.63 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.57 4.98 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 2.26 2.28 0.00 92 N 8.77 5.75 0.00 2.74 2.85 0.00 0.00 5.84 7.13 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 93 K 9.08 4.79 0.00 1.85 1.92 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 94 I 8.19 5.45 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.03 1.18 0.00 0.00 *96 K 8.37 4.15 0.00 1.73 1.69 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.46 7.81 97 P 0.00 4.21 0.00 2.13 1.89 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 98 A 7.83 3.91 0.15 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 99 R 8.18 3.79 0.00 1.85 2.04 0.00 3.21 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 100 F 6.94 4.82 0.00 3.10 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 0.00 101 S 7.57 4.49 0.00 3.61 3.77 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 0.00 102 P 0.00 4.39 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 103 L 7.68 4.24 0.00 1.30 1.37 0.79 0.87 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.