NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3515 8.4029 116.7544 55.4859 31.6954 177.1927 9 R 3.8795 8.5827 126.3638 59.9505 29.3443 174.3245 10 I 3.9317 8.4295 120.4458 64.6642 37.6801 178.0606 11 L 4.0151 7.8536 119.3275 57.8626 41.5064 178.7966 12 H 4.2109 8.5844 118.6164 59.3113 29.7797 177.5974 13 G 3.6584 8.0448 106.9365 47.8411 0.0000 175.7681 14 L 4.0624 7.9581 121.5805 57.5907 41.5548 179.7077 15 I 3.7840 8.1509 120.1720 64.4244 36.9967 178.5482 16 T 3.8577 7.9706 116.7091 66.7574 68.3066 176.6374 17 L 4.0407 7.9703 120.8228 57.8394 41.6088 178.9391 18 Y 3.9899 8.2089 119.6350 60.6410 38.7493 178.0941 19 I 3.5851 8.1146 120.9126 64.4182 37.2607 178.1826 20 L 3.9550 7.9237 119.6737 57.9298 41.2533 179.6783 21 K 3.9177 7.8490 118.1740 59.3466 32.1855 178.4865 22 E 3.9271 7.7573 119.0490 59.3066 28.7610 179.2924 23 L 4.2578 7.9134 120.1100 56.7664 41.3691 179.5945 24 V 3.7632 7.5387 118.0201 65.8533 31.4672 177.6808 25 K 4.0332 7.4383 117.2929 56.9638 31.9219 176.9432 26 R 4.3216 6.6526 113.0399 54.8469 32.2267 172.0915 27 P 4.6335 0.0000 0.0000 62.2243 32.3076 175.9082 *29 H 5.1073 8.3449 115.3299 55.5556 30.9582 174.6513 30 G 3.8815 9.1878 109.3157 48.6396 0.0000 175.3508 31 Y 4.1412 8.2580 121.2729 60.3753 38.8724 177.8268 32 E 3.9867 8.3725 119.1574 59.3702 29.5064 178.8761 33 L 4.0038 7.5577 117.3524 57.9534 41.7573 179.0721 34 Q 3.9979 7.8842 118.2546 59.1578 29.1735 178.3348 35 K 4.0382 7.8488 119.6792 59.0788 31.9677 179.6876 36 S 4.5744 8.1795 115.7690 59.5555 63.2031 176.7889 *38 F 5.0452 7.9595 121.8538 57.8112 39.5346 179.1703 39 E 3.9397 7.9590 120.8454 59.9652 29.7133 179.4176 40 T 4.0029 8.4218 118.5087 67.1761 68.9376 176.1181 41 T 4.2280 7.4837 111.7054 59.5179 69.6919 177.8592 42 G 3.9205 7.9177 108.5021 47.5273 0.0000 173.9772 43 Q 4.1875 7.6832 118.7680 53.4947 28.9699 179.6215 44 A 4.8659 8.2509 125.9104 49.0354 20.1930 175.6588 45 L 4.2387 8.2443 122.3784 54.4306 43.2397 176.9221 46 P 4.5905 0.0000 0.0000 62.2133 30.3594 177.5572 *48 G 4.0511 8.6672 114.2583 46.4160 0.0000 174.2957 49 S 4.1317 8.1678 118.6848 61.3350 62.6462 176.4299 50 I 3.5299 7.5188 121.8803 64.7074 36.8087 177.9813 51 Y 4.2383 7.4427 116.8461 60.9708 37.8259 178.5326 52 I 3.7705 7.7034 120.5790 64.3618 37.0113 178.4819 53 L 4.0299 7.6933 118.6296 57.7918 41.5290 179.1793 54 L 4.0382 7.8487 118.0343 57.5890 41.7138 179.1619 55 K 4.2094 8.3627 119.7032 59.6973 32.1307 179.7847 56 T 4.1571 7.6378 113.0435 64.1077 68.2049 176.2708 *58 K 4.8040 7.9520 122.2526 56.7344 34.1680 178.1542 59 E 3.9263 8.1818 117.5386 59.4303 29.3557 178.4260 60 R 3.5952 7.5969 115.5300 56.7090 30.1808 177.5068 61 G 3.8470 7.5240 105.6643 45.6194 0.0000 174.3660 62 F 4.9312 7.6068 119.9155 58.9442 40.5482 175.7741 63 V 5.2465 7.8173 117.2838 61.0291 35.3925 174.1642 64 I 5.1842 9.1900 119.3078 59.1630 41.2083 174.0949 65 S 5.2153 8.5149 116.2632 56.7453 66.2476 172.6967 66 E 4.7502 8.7395 117.7037 54.9233 33.2738 174.4229 67 S 5.1334 8.5473 116.8833 58.0679 64.5840 173.9374 68 S 4.7409 9.3990 118.4160 56.4029 65.9502 173.6862 69 V 4.3292 8.6260 124.8573 61.7208 32.4195 175.5409 70 N 5.0575 8.6005 121.5808 51.1599 39.7545 174.9575 71 E 4.0293 8.7672 116.2729 59.0453 29.5154 177.8985 72 K 4.3269 8.8237 116.3706 55.8196 32.7793 176.9078 73 G 3.9064 8.2305 107.2922 45.4614 0.0000 173.6394 74 Q 4.2467 7.9472 118.4274 55.3826 30.3658 175.1897 75 Q 4.7042 8.5765 122.3693 55.0519 29.4142 175.2575 76 L 4.6271 8.9627 125.1383 53.7594 44.2303 175.8362 77 T 4.9371 8.3521 117.5071 61.8855 70.8475 174.0223 78 V 4.4103 8.6253 125.7166 61.2858 34.4650 173.6772 79 Y 5.2243 8.5764 124.5228 56.8238 40.6005 174.2020 80 H 5.0509 9.5210 119.9722 53.8791 32.6912 172.9626 81 I 4.5247 8.5554 122.7978 61.2745 39.0853 175.1599 82 T 4.5243 8.4582 118.5245 60.3550 71.4709 175.2351 83 D 4.3403 8.7374 120.0354 57.2771 40.6899 178.6944 84 A 4.1950 8.1470 121.1194 55.1915 18.4255 179.6523 85 G 3.4705 8.3903 104.2379 47.8886 0.0000 175.9111 86 K 3.9354 8.0345 120.0528 59.1250 32.1650 179.0657 87 K 4.0931 7.9770 118.6288 59.2234 32.2030 178.2235 88 F 4.2859 7.9847 119.9912 61.2363 39.5062 177.7082 89 L 3.8314 7.8540 116.4658 56.2535 41.6456 178.0074 *91 D 4.4940 8.0453 118.0366 53.9083 42.8749 176.4758 92 H 4.5303 7.7467 115.3756 55.4309 28.6984 176.9962 93 S 4.0728 7.7856 119.0307 61.7652 62.8662 176.4068 94 Q 4.0124 7.9803 120.9342 58.4046 28.5623 177.9179 95 A 4.0000 7.8344 122.4302 54.8581 18.4522 179.4484 96 L 3.9559 7.7777 117.7133 57.7904 41.5768 179.3609 97 Q 3.9339 8.0446 119.6147 59.0314 29.0361 178.0405 98 L 3.9236 7.9791 121.0799 58.1804 42.0755 178.6858 99 A 3.9970 7.9923 120.6754 55.2567 18.2920 179.5138 100 R 3.8156 8.0665 117.0826 59.5146 30.1147 178.9773 101 K 4.0004 7.7242 118.4096 59.4043 32.0040 179.4626 102 I 3.6913 7.8290 120.0135 64.5005 36.9924 178.5182 103 I 3.6946 7.9385 120.7468 64.5140 37.0383 178.2281 104 D 4.3377 8.1753 119.6668 57.2968 40.3196 178.3119 105 D 4.3162 8.1112 118.4747 57.3442 41.2690 178.3289 106 L 4.0055 7.9728 119.4568 57.9807 41.4541 179.6435 107 L 4.0733 8.0888 118.1151 57.4056 41.6216 179.1840 108 S 4.4079 7.8820 113.1021 60.1220 63.3716 174.8196 109 T 4.5011 7.2828 108.8803 60.5573 69.9338 174.1635 110 V 3.4720 7.9071 125.9085 63.6103 31.8033 176.0338 *111 D 4.4508 8.6334 125.1330 53.5170 40.3510 171.6159 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 8 E 8.40 4.35 0.00 1.91 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 2.21 1.88 0.00 9 R 8.58 3.88 0.00 1.89 1.97 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.35 0.00 10 I 8.43 3.93 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 1.65 0.47 0.92 0.00 0.00 11 L 7.85 4.02 0.00 1.69 1.71 0.91 0.95 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 12 H 8.58 4.21 0.00 3.26 3.35 0.00 5.59 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 13 G 8.04 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 14 L 7.96 4.06 0.00 1.73 1.73 0.92 0.87 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 15 I 8.15 3.78 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.90 0.00 0.00 16 T 7.97 3.86 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 L 7.97 4.04 0.00 1.88 1.71 0.84 0.67 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 18 Y 8.21 3.99 0.00 3.05 3.09 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 19 I 8.11 3.59 2.03 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 1.55 1.02 0.85 0.00 0.00 20 L 7.92 3.95 0.00 1.84 1.70 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.85 3.92 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.38 1.56 7.81 22 E 7.76 3.93 0.00 1.95 1.82 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 1.55 1.98 0.00 23 L 7.91 4.26 0.00 1.83 1.73 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.54 3.76 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 0.81 0.00 0.00 0.93 0.00 0.00 25 K 7.44 4.03 0.00 1.95 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 26 R 6.65 4.32 0.00 2.10 1.96 0.00 2.77 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 27 P 0.00 4.63 0.00 1.87 1.70 0.00 3.73 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 1.96 1.98 0.00 *29 H 8.34 5.11 0.00 3.37 3.43 0.00 5.64 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 30 G 9.19 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 31 Y 8.26 4.14 0.00 3.16 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 32 E 8.37 3.99 0.00 2.30 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 2.58 2.64 0.00 33 L 7.56 4.00 0.00 1.75 1.74 0.85 0.80 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 34 Q 7.88 4.00 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 35 K 7.85 4.04 0.00 1.82 1.70 0.00 1.57 0.00 0.00 1.32 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 0.71 7.81 36 S 8.18 4.57 0.00 4.15 4.12 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 *38 F 7.96 5.05 0.00 2.25 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 0.00 0.00 0.00 0.00 39 E 7.96 3.94 0.00 2.19 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 2.32 2.45 0.00 40 T 8.42 4.00 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 1.21 0.00 0.00 41 T 7.48 4.23 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 1.21 0.00 0.00 42 G 7.92 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 43 Q 7.68 4.19 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 44 A 8.25 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.24 4.24 0.00 1.55 1.55 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.59 0.00 2.03 1.88 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 *48 G 8.67 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 0.00 0.00 0.00 49 S 8.17 4.13 0.00 3.84 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 50 I 7.52 3.53 1.37 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.66 0.00 0.00 51 Y 7.44 4.24 0.00 3.20 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 52 I 7.70 3.77 2.05 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 1.69 1.45 0.94 0.00 0.00 53 L 7.69 4.03 0.00 1.75 1.68 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.85 4.04 0.00 1.62 1.45 0.20 0.74 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 55 K 8.36 4.21 0.00 1.99 2.02 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.52 7.81 56 T 7.64 4.16 4.42 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 1.21 0.00 0.00 *58 K 7.95 4.80 0.00 2.03 1.93 0.00 2.05 0.00 0.00 2.04 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.60 1.83 7.81 59 E 8.18 3.93 0.00 2.06 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 2.32 2.36 0.00 60 R 7.60 3.60 0.00 0.72 0.66 0.00 3.09 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 61 G 7.52 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.61 4.93 0.00 2.91 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 63 V 7.82 5.25 2.19 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 1.31 0.00 0.00 1.02 0.00 0.00 64 I 9.19 5.18 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.93 0.00 0.00 65 S 8.51 5.22 0.00 3.27 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.75 0.00 1.98 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 2.19 2.26 0.00 67 S 8.55 5.13 0.00 3.74 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 68 S 9.40 4.74 0.00 3.79 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 69 V 8.63 4.33 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 0.73 0.00 0.00 0.94 0.00 0.00 70 N 8.60 5.06 0.00 2.93 2.99 0.00 0.00 6.83 7.36 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 71 E 8.77 4.03 0.00 1.95 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 0.00 2.31 2.39 0.00 72 K 8.82 4.33 0.00 1.66 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.47 7.81 73 G 8.23 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 74 Q 7.95 4.25 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 75 Q 8.58 4.70 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 76 L 8.96 4.63 0.00 1.66 1.54 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.35 4.94 4.19 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 0.64 0.00 0.00 78 V 8.63 4.41 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 0.86 0.00 0.00 0.85 0.00 0.00 79 Y 8.58 5.22 0.00 2.99 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 80 H 9.52 5.05 0.00 2.97 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.56 4.52 1.90 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 1.44 0.88 0.93 0.00 0.00 82 T 8.46 4.52 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 1.30 0.00 0.00 83 D 8.74 4.34 0.00 2.74 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 84 A 8.15 4.20 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 85 G 8.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.94 0.00 1.92 1.90 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 87 K 7.98 4.09 0.00 1.80 2.04 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.46 7.81 88 F 7.98 4.29 0.00 2.66 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 89 L 7.85 3.83 0.00 1.78 1.79 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 8.05 4.49 0.00 2.84 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 92 H 7.75 4.53 0.00 3.19 3.17 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.79 4.07 0.00 4.01 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 94 Q 7.98 4.01 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 95 A 7.83 4.00 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 96 L 7.78 3.96 0.00 1.90 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.04 3.93 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 98 L 7.98 3.92 0.00 1.80 1.78 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.99 4.00 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 0.00 100 R 8.07 3.82 0.00 1.90 2.08 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 101 K 7.72 4.00 0.00 2.00 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 102 I 7.83 3.69 1.99 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 1.52 0.71 0.91 0.00 0.00 103 I 7.94 3.69 1.87 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 1.52 0.80 0.90 0.00 0.00 104 D 8.18 4.34 0.00 2.90 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 0.00 105 D 8.11 4.32 0.00 2.88 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 0.00 106 L 7.97 4.01 0.00 1.87 1.70 0.92 0.51 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 0.00 107 L 8.09 4.07 0.00 1.66 1.72 0.91 0.87 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 0.00 108 S 7.88 4.41 0.00 4.06 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 0.00 109 T 7.28 4.50 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 1.21 0.00 0.00 110 V 7.91 3.47 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 0.73 0.00 0.00 0.98 0.00 0.00 *111 D 8.63 4.45 0.00 2.48 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 * Residues marked with a * may have inaccurate shift predictions.