NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.6647 7.9332 115.3409 62.4496 69.1941 172.5606 2 Y 4.6141 8.8433 123.0069 55.9611 40.3704 169.9299 3 V 4.5782 9.6385 121.6553 61.4458 35.5983 173.8231 4 I 4.6261 8.8806 128.2699 60.6550 38.4366 175.0284 5 A 3.9913 8.3704 129.7258 49.5899 21.9858 176.1512 6 E 3.1382 6.1922 115.5645 58.6816 29.4579 177.9113 7 P 4.0828 0.0000 0.0000 65.1083 31.6316 177.0734 8 C 4.0329 7.5629 118.1402 61.5764 31.6540 173.6190 9 V 3.8610 7.4206 120.0616 64.0986 31.1248 174.8664 10 D 4.4330 8.9294 126.4242 55.3877 38.9293 174.0462 11 V 4.0002 7.9270 116.2871 64.1994 33.7326 176.2061 12 K 3.7386 7.9106 115.8867 57.4257 29.3610 174.7486 13 D 4.2808 7.7632 118.1264 55.7161 41.7979 176.8358 14 K 3.9120 8.2790 115.4471 56.8921 29.7492 177.4732 15 A 3.8706 7.7623 124.2611 55.2744 18.7481 180.5272 16 C 4.1884 8.1957 110.8098 61.2459 30.0279 176.0597 17 I 3.7038 7.4448 113.7374 63.4702 37.4174 177.7207 18 E 4.0159 7.6735 118.9745 59.3705 29.3141 178.2588 19 E 4.0904 7.8334 115.8823 57.7621 30.1747 176.2206 20 C 4.3060 7.6127 119.2842 57.8452 31.6214 172.4965 21 P 4.2982 0.0000 0.0000 64.9573 31.1067 177.5815 22 V 4.0756 7.7147 108.7534 60.1276 32.4366 174.7751 23 D 4.2671 7.6673 119.2477 55.7024 39.9482 173.6035 24 C 4.9867 7.8761 108.8956 58.0450 31.6248 173.3939 25 I 5.0006 7.6902 120.3490 60.6579 38.1544 174.4225 26 Y 4.8602 9.6070 125.6881 56.1533 41.2585 174.5031 27 E 4.6630 8.9758 123.5267 55.0552 31.6342 175.6108 28 G 4.8858 8.7308 114.9246 43.9739 0.0000 173.1554 29 A 4.3145 9.1949 121.8015 54.7521 18.6622 178.8753 30 R 4.3773 8.5877 114.3028 57.7113 31.4298 175.7980 31 M 4.5826 7.4099 112.9964 54.4301 33.6261 172.9446 32 L 4.8980 7.7575 118.4748 53.8844 43.9448 176.1425 33 Y 4.8720 8.7147 117.8658 56.5162 42.1581 174.4784 34 I 4.8205 8.9519 125.4432 60.6009 38.5447 175.1201 35 H 4.0272 9.4897 128.6641 55.0752 29.8537 174.3694 36 P 4.5061 0.0000 0.0000 64.5580 31.4689 176.7023 37 D 4.7359 8.1427 116.8364 54.4139 41.4381 176.3873 38 E 4.4405 7.7729 117.7114 57.0177 31.7389 176.3593 39 C 4.2520 8.2541 119.3872 59.8403 31.8463 173.6055 40 V 4.2473 8.2527 119.8527 60.7551 31.6186 172.7064 41 D 4.3138 8.2717 126.0089 54.4061 38.7416 174.5580 *43 G 3.3342 8.3399 111.5963 44.4557 0.0000 173.2313 44 A 4.0414 7.7117 123.1317 54.5751 18.8466 179.0862 45 C 4.2328 7.8753 111.1210 61.1148 30.3635 175.6001 46 E 3.9190 7.8273 120.9363 58.3114 29.3204 176.9651 47 P 4.2340 0.0000 0.0000 65.0651 31.6087 177.3267 48 V 3.8690 7.1933 110.9170 62.0535 32.0843 175.7225 49 C 4.2331 7.5692 122.0509 58.3071 31.4648 172.3581 50 P 4.3676 0.0000 0.0000 64.6991 31.3321 177.2773 51 V 4.1755 7.6384 110.8066 60.0803 32.1926 174.9662 52 E 3.5897 7.6869 119.1324 57.2173 28.3532 175.3043 53 A 4.1412 7.6740 119.9201 53.8254 20.2262 178.3405 54 I 4.8722 7.3911 116.0718 60.1632 38.8208 175.1172 55 Y 4.8986 9.0040 123.5185 55.9061 42.5233 174.6163 56 Y 3.2935 8.5901 123.4945 56.9804 39.3835 176.5314 57 E 3.7344 7.7781 124.7196 59.6957 29.3356 179.3323 58 D 4.3422 6.8111 116.8281 55.8037 40.9948 176.4567 59 D 4.7994 8.0290 117.5613 53.5858 41.7083 176.6563 60 V 3.3024 7.2489 119.9531 61.9765 32.1192 174.1125 61 P 4.2499 0.0000 0.0000 62.4801 32.1606 176.8181 62 D 4.3862 8.7724 121.4242 57.6397 40.8914 179.3250 63 Q 3.9666 7.8463 115.2563 58.1212 28.7868 176.9380 64 W 5.2736 7.7685 117.7367 56.4310 29.4876 177.8861 65 S 4.2895 8.0968 116.9670 61.1956 62.3408 175.5238 66 S 4.3659 8.1588 116.6212 60.2882 63.1691 175.5672 67 Y 3.9419 8.4157 121.0201 60.6609 37.2833 177.8212 68 A 4.0708 8.1782 121.6145 55.4608 18.4902 179.2648 69 Q 3.9317 8.1943 117.1565 59.2675 29.1924 178.2380 70 A 4.0273 7.8026 121.9064 55.1661 18.1713 179.3401 71 N 4.6905 8.3862 114.0179 56.4716 38.9211 177.2702 72 A 4.3224 7.9530 122.0765 55.4420 18.6672 179.4778 73 D 4.3430 8.5587 117.6922 57.2775 40.5615 178.5929 74 F 3.8123 7.6802 120.1667 60.5045 39.2957 175.6020 75 F 4.3370 7.7361 115.1546 56.8870 39.0586 177.0528 76 A 3.9583 7.5770 126.0320 55.0776 17.9956 179.1974 77 E 4.4366 7.7341 111.4694 56.6426 30.8104 177.1082 78 L 4.1985 7.7303 118.1367 55.0890 43.2727 178.4985 79 G 3.9563 7.8077 106.4611 46.7444 0.0000 176.8395 80 S 4.5421 8.3778 114.8247 55.0382 62.0756 171.2255 81 P 4.3345 0.0000 0.0000 63.2579 31.5705 177.5837 82 G 3.8770 8.3902 105.7573 44.1324 0.0000 173.1329 83 G 4.6012 7.5543 118.6925 44.3182 0.0000 174.3993 84 A 3.6657 7.9282 128.2690 54.6146 17.9880 179.4148 85 S 4.0271 8.0161 111.7121 61.4235 62.4795 176.1508 86 K 4.1823 7.3916 120.6524 59.2773 32.6558 179.1570 87 V 3.8087 7.8907 118.8318 66.1493 32.1481 177.0231 88 G 3.9163 8.2362 106.2601 44.7957 0.0000 172.1560 89 Q 4.4839 8.6092 120.4137 56.1669 30.0782 176.4306 90 T 4.7397 8.7646 113.9981 60.2372 72.4708 173.7427 91 D 4.9219 8.4657 124.1734 53.8414 39.6165 176.4081 92 N 4.5289 7.5155 112.4351 52.5494 39.5945 175.5613 93 D 4.5270 8.1190 118.9713 53.9861 41.5544 175.4264 94 P 4.3658 0.0000 0.0000 62.4594 33.2968 176.9611 95 Q 3.8888 8.7234 120.2969 59.8524 28.6078 179.1673 96 A 3.9429 8.0185 119.3450 55.3100 18.5401 178.9903 97 I 4.0100 7.6259 117.2848 63.9253 37.4043 178.2946 98 K 4.0056 8.0572 118.6240 59.6494 31.9754 178.6342 99 D 4.5143 8.1969 117.5085 55.1104 41.2270 177.0457 100 L 4.0949 7.1377 119.6533 54.0321 42.1528 175.5201 101 P 4.4603 0.0000 0.0000 61.5349 32.0029 174.4664 102 P 4.4582 0.0000 0.0000 63.4692 31.6926 175.9497 103 Q 4.6381 8.8878 120.6533 54.9433 32.4363 177.5438 104 G 3.6436 8.4042 109.6089 45.7651 0.0000 174.4224 *105 E 4.1319 8.6755 115.5237 56.2215 30.4399 171.7811 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 T 7.93 4.66 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 1.26 0.00 0.00 2 Y 8.84 4.61 0.00 3.02 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 3 V 9.64 4.58 2.18 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 1.10 0.00 0.00 0.97 0.00 0.00 4 I 8.88 4.63 1.87 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 1.27 0.72 0.76 0.00 0.00 5 A 8.37 3.99 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 6 E 6.19 3.14 0.00 1.16 1.12 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 2.20 2.21 0.00 7 P 0.00 4.08 0.00 1.87 1.99 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 8 C 7.56 4.03 0.00 2.77 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 9 V 7.42 3.86 2.11 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 0.81 0.00 0.00 0.90 0.00 0.00 10 D 8.93 4.43 0.00 2.85 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 11 V 7.93 4.00 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 0.75 0.00 0.00 0.99 0.00 0.00 12 K 7.91 3.74 0.00 1.85 1.76 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.33 7.81 13 D 7.76 4.28 0.00 2.58 2.66 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 14 K 8.28 3.91 0.00 2.02 1.90 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.60 7.81 15 A 7.76 3.87 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 16 C 8.20 4.19 0.00 3.08 3.17 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 17 I 7.44 3.70 1.83 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 1.47 0.76 0.88 0.00 0.00 18 E 7.67 4.02 0.00 2.04 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 2.34 2.53 0.00 19 E 7.83 4.09 0.00 1.92 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 2.44 2.45 0.00 20 C 7.61 4.31 0.00 2.97 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 21 P 0.00 4.30 0.00 2.06 2.08 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 22 V 7.71 4.08 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 0.69 0.00 0.00 0.97 0.00 0.00 23 D 7.67 4.27 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.88 4.99 0.00 3.18 3.17 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 25 I 7.69 5.00 1.88 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 1.41 0.66 0.95 0.00 0.00 26 Y 9.61 4.86 0.00 3.00 3.13 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 0.00 0.00 0.00 27 E 8.98 4.66 0.00 2.09 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 2.36 2.32 0.00 28 G 8.73 4.89 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 0.00 0.00 0.00 29 A 9.19 4.31 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 30 R 8.59 4.38 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 31 M 7.41 4.58 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.19 0.00 32 L 7.76 4.90 0.00 1.40 1.56 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.71 4.87 0.00 2.44 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 34 I 8.95 4.82 2.14 0.00 0.00 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 1.23 0.61 1.08 0.00 0.00 35 H 9.49 4.03 0.00 2.73 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.51 0.00 2.26 2.24 0.00 3.20 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 37 D 8.14 4.74 0.00 2.61 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 38 E 7.77 4.44 0.00 1.88 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 2.08 1.84 0.00 39 C 8.25 4.25 0.00 3.08 2.94 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 40 V 8.25 4.25 2.11 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 0.87 0.00 0.00 0.94 0.00 0.00 41 D 8.27 4.31 0.00 2.99 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 *43 G 8.34 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 44 A 7.71 4.04 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 45 C 7.88 4.23 0.00 3.07 3.13 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 0.00 0.00 0.00 46 E 7.83 3.92 0.00 2.20 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 2.41 2.55 0.00 47 P 0.00 4.23 0.00 2.17 2.15 0.00 3.51 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 48 V 7.19 3.87 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 0.62 0.00 0.00 0.95 0.00 0.00 49 C 7.57 4.23 0.00 3.02 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 50 P 0.00 4.37 0.00 2.20 2.14 0.00 3.73 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 1.95 2.21 0.00 51 V 7.64 4.18 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 0.70 0.00 0.00 0.86 0.00 0.00 52 E 7.69 3.59 0.00 1.97 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 2.07 2.04 0.00 53 A 7.67 4.14 1.15 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 54 I 7.39 4.87 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 1.34 0.59 1.06 0.00 0.00 55 Y 9.00 4.90 0.00 2.87 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 56 Y 8.59 3.29 0.00 2.21 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 57 E 7.78 3.73 0.00 1.93 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 1.47 1.52 0.00 58 D 6.81 4.34 0.00 2.85 2.82 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 59 D 8.03 4.80 0.00 2.90 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 60 V 7.25 3.30 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 1.05 0.00 0.00 61 P 0.00 4.25 0.00 1.77 1.63 0.00 3.27 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 62 D 8.77 4.39 0.00 2.61 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 63 Q 7.85 3.97 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.45 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 64 W 7.77 5.27 0.00 3.42 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 65 S 8.10 4.29 0.00 4.06 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 66 S 8.16 4.37 0.00 4.02 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 67 Y 8.42 3.94 0.00 3.22 3.25 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 68 A 8.18 4.07 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 69 Q 8.19 3.93 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 70 A 7.80 4.03 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 71 N 8.39 4.69 0.00 3.07 3.33 0.00 0.00 7.03 6.97 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 72 A 7.95 4.32 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 73 D 8.56 4.34 0.00 2.81 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 74 F 7.68 3.81 0.00 1.88 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 0.00 0.00 0.00 0.00 75 F 7.74 4.34 0.00 3.11 3.06 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 76 A 7.58 3.96 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 77 E 7.73 4.44 0.00 1.79 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 2.15 2.17 0.00 78 L 7.73 4.20 0.00 1.64 1.77 0.62 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.81 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 0.00 0.00 0.00 80 S 8.38 4.54 0.00 3.70 3.70 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 81 P 0.00 4.33 0.00 2.38 2.25 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 82 G 8.39 3.88 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 0.00 0.00 0.00 83 G 7.55 4.60 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 84 A 7.93 3.67 0.73 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 0.00 0.00 85 S 8.02 4.03 0.00 4.08 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 86 K 7.39 4.18 0.00 2.18 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.68 1.50 7.81 87 V 7.89 3.81 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 1.09 0.00 0.00 1.24 0.00 0.00 88 G 8.24 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 89 Q 8.61 4.48 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 90 T 8.76 4.74 4.20 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 0.00 0.00 0.00 1.27 0.00 0.00 91 D 8.47 4.92 0.00 2.67 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 92 N 7.52 4.53 0.00 1.44 1.71 0.00 0.00 7.23 8.06 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 93 D 8.12 4.53 0.00 2.73 2.82 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 94 P 0.00 4.37 0.00 2.24 2.14 0.00 3.85 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 95 Q 8.72 3.89 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 96 A 8.02 3.94 1.23 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 0.00 0.00 97 I 7.63 4.01 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.02 1.04 0.00 0.00 98 K 8.06 4.01 0.00 1.90 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.65 7.81 99 D 8.20 4.51 0.00 2.65 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 0.00 100 L 7.14 4.09 0.00 1.75 1.65 1.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.46 0.00 2.06 2.00 0.00 3.73 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 2.05 2.13 0.00 102 P 0.00 4.46 0.00 2.04 2.01 0.00 3.63 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 2.04 2.14 0.00 103 Q 8.89 4.64 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 104 G 8.40 3.64 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 0.00 0.00 0.00 *105 E 8.68 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.