NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6457 8.2833 119.2079 53.3560 39.3569 174.7412 -4 L 4.0819 8.1472 125.8833 55.9399 42.0511 176.5650 -3 Y 4.5539 8.3426 116.2688 59.1648 38.9030 175.2306 -2 F 4.8037 8.3847 121.9077 58.3105 39.6254 175.0533 -1 Q 4.2754 9.2302 127.3037 54.0706 30.6752 176.3488 0 G 3.7425 8.0337 105.7894 45.9322 0.0000 171.0470 -3 P 4.4239 0.0000 0.0000 64.5648 33.2030 176.6306 -2 H 4.9137 8.5047 119.8077 55.6105 29.0254 173.3533 -1 L 4.2754 9.0702 129.3037 53.4706 43.6752 177.9488 0 V 3.9025 7.7337 116.1893 63.0322 29.1534 172.4470 6 I 4.8321 8.8485 129.3707 59.6127 39.5608 174.4243 7 E 4.8803 9.3133 126.2337 54.3350 32.5988 174.9617 8 A 4.9317 8.2661 125.2877 49.8178 22.6126 175.6323 9 T 3.6431 7.9128 112.7721 61.3112 69.2286 175.6542 10 A 3.9630 8.1839 126.6837 54.7687 18.5601 178.2639 11 N 4.6939 7.1647 108.5455 52.7876 37.7656 174.8084 12 L 4.1718 7.6851 122.6166 55.2457 42.8819 176.0427 13 R 4.6796 9.3317 125.6415 54.5872 32.2777 175.2746 14 L 5.1393 8.3095 123.0085 52.9588 43.6730 176.6778 15 E 4.1848 9.3181 122.1000 59.0288 29.7324 177.3103 16 T 4.4309 7.5165 111.1327 60.1601 70.1735 173.5488 17 S 4.5441 7.9703 115.1536 56.6049 66.1757 173.2681 18 P 3.5792 0.0000 0.0000 65.4024 30.8029 179.0454 19 G 3.5846 7.8119 103.8280 48.0364 0.0000 175.4154 20 E 3.9840 8.0999 121.2858 58.7354 29.3182 179.2170 21 L 3.9455 7.9951 120.5337 58.1619 42.0890 178.9735 22 L 4.0138 8.0742 119.0158 57.9121 41.4583 179.4131 23 E 3.9613 8.2168 118.4716 59.4191 29.3014 179.4352 24 Q 3.9689 8.2509 117.8098 58.8978 28.7970 178.6369 25 A 4.0155 8.2643 121.9766 55.3719 18.3597 179.4590 26 N 4.2960 8.5284 115.0008 56.3500 38.5882 177.5194 27 A 4.0980 8.3613 122.1541 55.0818 18.2705 179.4076 28 A 3.9897 8.0776 118.3279 55.4478 18.6562 179.5415 29 L 4.2848 8.1890 117.4470 58.0921 41.7479 179.6089 30 F 4.5603 8.8412 120.7648 61.3182 39.1096 176.9998 31 A 3.9560 8.1746 119.7404 54.5462 18.1925 179.3488 32 S 4.1532 7.6540 112.4417 59.5534 62.9910 175.7318 33 G 3.7202 7.5680 109.4966 45.8075 0.0000 174.1140 34 Q 3.9501 7.2818 117.5072 56.3146 29.2115 175.9285 35 F 5.1663 7.4728 115.0202 55.2209 43.4024 174.5742 36 G 3.9152 8.7556 112.5114 45.2811 0.0000 174.0168 37 E 3.2169 9.1637 124.0963 58.9545 29.4836 179.0676 38 A 4.0792 7.7993 118.5621 54.3450 18.6426 177.8042 39 D 4.5373 7.8432 114.1446 55.7246 41.2361 176.4508 40 I 4.1051 7.2552 120.9931 60.3764 37.4788 175.7204 41 K 4.6538 8.5132 127.3858 54.5163 34.1088 175.9363 42 S 5.9199 8.7135 119.4524 56.7114 66.2329 173.5355 43 R 4.8143 8.3613 116.1048 54.8330 32.9945 173.1284 44 F 5.2365 8.8987 122.9900 56.4468 41.9175 174.2422 45 V 4.4105 8.3022 125.9319 61.3123 34.2433 174.1538 46 T 4.6703 8.5390 124.4985 62.6605 69.8738 174.2451 47 L 4.4933 8.7506 127.8933 53.6944 42.0545 177.3660 48 E 4.1818 9.0498 122.5906 57.0311 30.4572 176.0746 49 A 4.5316 7.9978 121.4916 50.3907 20.1220 174.3764 50 Y 5.0479 7.5048 118.2200 56.5649 41.0996 174.9375 51 R 4.6997 8.4864 119.0567 54.8080 34.2886 174.4604 52 Q 4.4447 8.4243 121.9441 54.9771 31.9162 175.9854 53 G 3.8528 8.8284 115.5777 46.3092 0.0000 172.8992 54 T 4.4823 8.3699 107.0624 61.0724 70.6462 174.5474 55 A 4.0555 7.9716 124.5382 52.3441 19.4674 177.4460 56 A 4.5222 8.2246 124.5198 51.5706 18.2049 177.6919 57 V 4.4357 7.1288 120.3951 60.2694 35.1174 174.3220 58 E 4.2866 8.6286 127.5096 56.4702 30.5184 175.5653 59 R 5.1255 8.6888 124.0552 54.5820 34.5093 174.0156 60 A 4.9307 8.6121 121.8433 50.5161 22.5514 174.6672 61 Y 5.0802 7.9440 116.3929 55.6328 42.5073 173.7254 62 L 5.1864 9.0523 121.4876 53.8845 45.7376 174.4877 63 H 5.6076 9.6236 125.2943 54.5041 33.8377 171.6788 64 A 5.7866 8.6774 125.0887 50.3177 22.8156 174.6047 65 C 4.9488 8.5404 119.9852 57.5713 34.1785 172.7835 66 L 4.9419 8.8840 129.8785 53.9061 43.4180 175.1247 67 S 5.3174 8.7100 122.8391 56.9214 64.7934 173.3527 68 I 4.5614 8.3450 117.9426 58.4580 41.0411 174.9315 69 L 4.4534 8.2649 122.2416 54.0945 41.9468 177.0860 70 D 4.7679 7.9107 120.5290 53.3685 40.0027 177.0515 71 G 4.0482 8.8017 106.8355 45.4461 0.0000 174.1687 72 R 4.3610 7.5639 118.2607 55.2211 31.8461 175.6865 73 D 4.8033 8.0903 119.2252 51.8293 42.6527 177.2247 74 A 3.9645 8.4059 120.8782 55.4054 18.3011 179.6048 75 A 3.9253 7.9971 118.6112 55.5605 18.4601 179.7829 76 T 3.7843 8.1719 114.0685 66.9476 68.6220 177.0051 77 R 3.9389 7.7870 119.3356 59.3485 30.0947 178.9636 78 Q 3.9512 8.3736 119.2014 59.1005 29.0014 178.0774 79 A 4.0056 8.1202 121.7828 55.1698 18.4284 179.6276 80 L 4.0698 8.0155 117.5373 57.8730 41.6525 179.9657 81 G 3.6351 8.1611 105.6568 47.8528 0.0000 175.3773 82 E 3.9337 8.3608 122.0410 58.7655 29.6470 178.6859 83 S 4.0844 8.2909 113.3764 61.5779 62.4165 176.2372 84 L 4.0195 7.9977 121.5284 57.9510 41.2782 179.0850 85 C 4.0926 8.3925 118.8823 62.3790 31.4740 175.2812 86 E 3.9360 8.4469 121.1556 59.0723 28.9940 178.9212 87 V 3.5911 7.5232 117.2442 66.0326 31.9305 177.7663 88 L 4.1440 8.2034 118.5802 57.7686 41.6411 179.2484 89 A 4.1078 8.4406 121.2663 55.3135 18.1289 179.9777 90 G 3.6284 8.0687 102.3427 47.2660 0.0000 175.0611 91 A 4.3920 7.9130 122.0757 52.2792 18.5266 176.9848 92 V 4.1454 7.2095 117.6670 62.2817 31.7462 175.6787 93 A 4.3334 9.0070 131.8483 52.3064 19.1961 177.2017 94 G 3.9454 7.6608 102.0462 46.3170 0.0000 170.8517 95 G 4.5560 8.8184 114.6783 46.3607 0.0000 174.4886 96 G 3.9270 8.3589 112.9997 45.3372 0.0000 173.2899 97 E 4.5854 8.8558 120.4270 55.9938 29.9839 175.4285 98 E 4.5753 7.6242 116.0995 54.9266 32.2139 174.8845 99 G 3.7967 8.6376 106.9422 46.5085 0.0000 172.5507 100 V 4.4863 8.0259 120.1821 60.9691 33.3353 175.2050 101 Q 4.3100 8.7646 127.3288 55.7008 29.9000 174.8954 102 V 5.1647 8.4660 124.0679 61.1446 34.0240 174.6690 103 S 4.8342 8.9988 120.9018 56.8753 66.9941 173.0144 104 V 4.7644 8.2198 120.3162 61.4047 34.1043 173.9230 105 E 4.6010 9.1145 129.3467 54.8604 31.7032 174.5700 106 V 4.9181 8.3767 125.8369 61.1274 33.6530 174.6037 107 R 4.7581 9.2114 124.1721 54.7440 32.8281 174.8564 108 E 5.5571 8.1472 118.2945 53.7149 32.2218 174.1994 *110 E 4.4949 8.6967 119.3802 56.4867 30.0784 177.2250 111 R 3.9249 9.0321 124.3322 59.0584 29.7782 178.8978 112 A 4.0385 8.1807 120.7390 54.2486 18.3598 177.8322 113 S 4.6051 7.5841 107.0783 58.0184 63.8575 173.5400 114 Y 4.1332 7.8211 123.2850 57.4642 38.6376 174.2814 115 A 4.6633 7.8866 130.4268 50.2817 21.0927 175.7030 116 K 4.6032 7.9796 119.1964 55.6808 35.6587 175.4564 117 R 4.7076 8.3955 118.4953 55.4110 32.8442 174.0489 118 V 4.1060 8.2261 123.2119 60.9510 32.9943 175.0998 119 V 4.0023 8.2054 127.1685 60.9591 31.5946 175.3010 120 A 4.0971 8.3153 130.5695 51.8510 19.0036 176.9417 121 R 4.0476 8.4051 119.4591 56.6637 30.1322 176.4913 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 -5 N 8.28 4.65 0.00 2.75 2.87 0.00 0.00 7.10 5.78 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 -4 L 8.15 4.08 0.00 1.39 1.57 0.82 0.59 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 -3 Y 8.34 4.55 0.00 3.18 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 -2 F 8.38 4.80 0.00 3.04 3.20 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 0.00 -1 Q 9.23 4.28 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 0 G 8.03 3.74 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 0.00 -3 P 0.00 4.42 0.00 2.44 2.01 0.00 2.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 -2 H 8.50 4.91 0.00 3.19 3.32 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 9.07 4.28 0.00 1.70 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0 V 7.73 3.90 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 0.76 0.00 0.00 0.93 0.00 0.00 6 I 8.85 4.83 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.93 0.00 0.00 7 E 9.31 4.88 0.00 1.82 1.74 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 2.14 2.18 0.00 8 A 8.27 4.93 1.02 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 9 T 7.91 3.64 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 -0.40 0.00 0.00 10 A 8.18 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.16 4.69 0.00 2.99 3.03 0.00 0.00 6.92 7.67 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 12 L 7.69 4.17 0.00 1.52 1.63 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.33 4.68 0.00 1.85 1.81 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 14 L 8.31 5.14 0.00 1.61 1.56 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.32 4.18 0.00 1.79 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 0.00 2.44 2.54 0.00 16 T 7.52 4.43 4.38 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 1.19 0.00 0.00 17 S 7.97 4.54 0.00 4.07 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 18 P 0.00 3.58 0.00 1.63 0.49 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 19 G 7.81 3.58 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 0.00 0.00 0.00 20 E 8.10 3.98 0.00 2.12 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 0.00 2.30 2.27 0.00 21 L 8.00 3.95 0.00 1.71 1.77 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.07 4.01 0.00 1.89 1.72 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.22 3.96 0.00 2.20 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 2.50 0.00 24 Q 8.25 3.97 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 25 A 8.26 4.02 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 26 N 8.53 4.30 0.00 2.95 2.88 0.00 0.00 6.95 8.51 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 27 A 8.36 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.28 0.00 1.96 1.94 0.86 0.96 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 30 F 8.84 4.56 0.00 3.19 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 31 A 8.17 3.96 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 32 S 7.65 4.15 0.00 3.92 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 33 G 7.57 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 0.00 0.00 0.00 34 Q 7.28 3.95 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 35 F 7.47 5.17 0.00 3.16 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 36 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 37 E 9.16 3.22 0.00 1.24 1.72 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 1.64 1.66 0.00 38 A 7.80 4.08 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 39 D 7.84 4.54 0.00 3.01 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 40 I 7.26 4.11 1.81 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.83 0.00 0.00 41 K 8.51 4.65 0.00 1.49 1.72 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.36 7.81 42 S 8.71 5.92 0.00 3.84 3.86 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 43 R 8.36 4.81 0.00 1.86 2.04 0.00 3.10 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.90 5.24 0.00 3.02 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 45 V 8.30 4.41 1.91 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 0.87 0.00 0.00 0.89 0.00 0.00 46 T 8.54 4.67 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 1.24 0.00 0.00 47 L 8.75 4.49 0.00 1.34 1.64 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.05 4.18 0.00 2.12 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 0.00 2.28 2.33 0.00 49 A 8.00 4.53 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 50 Y 7.50 5.05 0.00 3.15 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 51 R 8.49 4.70 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.05 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 52 Q 8.42 4.44 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 53 G 8.83 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 54 T 8.37 4.48 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 55 A 7.97 4.06 1.27 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 0.00 0.00 56 A 8.22 4.52 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 57 V 7.13 4.44 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 0.91 0.00 0.00 0.95 0.00 0.00 58 E 8.63 4.29 0.00 2.13 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 2.45 2.40 0.00 59 R 8.69 5.13 0.00 1.80 1.97 0.00 3.27 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 60 A 8.61 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.94 5.08 0.00 3.15 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 62 L 9.05 5.19 0.00 1.76 1.53 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.62 5.61 0.00 3.28 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.68 5.79 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 65 C 8.54 4.95 0.00 2.95 2.80 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 0.00 0.00 0.00 66 L 8.88 4.94 0.00 1.78 1.51 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.71 5.32 0.00 3.77 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 68 I 8.34 4.56 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.95 0.00 0.00 69 L 8.26 4.45 0.00 1.49 1.55 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.91 4.77 0.00 2.89 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 71 G 8.80 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 72 R 7.56 4.36 0.00 1.82 1.87 0.00 3.36 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 73 D 8.09 4.80 0.00 2.93 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 A 8.41 3.96 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 75 A 8.00 3.93 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 76 T 8.17 3.78 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 77 R 7.79 3.94 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 78 Q 8.37 3.95 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.12 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.07 0.00 1.97 1.81 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.16 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 82 E 8.36 3.93 0.00 2.11 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 0.00 2.31 2.36 0.00 83 S 8.29 4.08 0.00 4.00 4.01 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 84 L 8.00 4.02 0.00 1.90 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.39 4.09 0.00 3.14 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 86 E 8.45 3.94 0.00 2.13 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 0.00 2.32 2.37 0.00 87 V 7.52 3.59 2.24 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 0.92 0.00 0.00 1.01 0.00 0.00 88 L 8.20 4.14 0.00 1.89 1.73 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.44 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.07 3.63 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 0.00 0.00 0.00 91 A 7.91 4.39 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 92 V 7.21 4.15 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 0.80 0.00 0.00 0.95 0.00 0.00 93 A 9.01 4.33 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 94 G 7.66 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 95 G 8.82 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 97 E 8.86 4.59 0.00 1.92 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 0.00 2.28 2.37 0.00 98 E 7.62 4.58 0.00 2.03 1.93 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 2.20 2.33 0.00 99 G 8.64 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.03 4.49 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 0.93 0.00 0.00 0.97 0.00 0.00 101 Q 8.76 4.31 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.47 5.16 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 0.86 0.00 0.00 0.96 0.00 0.00 103 S 9.00 4.83 0.00 3.95 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 0.00 104 V 8.22 4.76 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 0.79 0.00 0.00 0.95 0.00 0.00 105 E 9.11 4.60 0.00 2.14 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 2.25 2.25 0.00 106 V 8.38 4.92 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 0.92 0.00 0.00 1.01 0.00 0.00 107 R 9.21 4.76 0.00 1.84 2.18 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 E 8.15 5.56 0.00 2.01 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 2.29 2.21 0.00 *110 E 8.70 4.49 0.00 2.04 1.93 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 2.39 2.28 0.00 111 R 9.03 3.92 0.00 2.05 2.21 0.00 2.84 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 112 A 8.18 4.04 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 0.00 113 S 7.58 4.61 0.00 3.99 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 0.00 114 Y 7.82 4.13 0.00 3.06 3.03 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 0.00 115 A 7.89 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.98 4.60 0.00 1.71 1.47 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.17 1.29 7.81 117 R 8.40 4.71 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 118 V 8.23 4.11 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 0.71 0.00 0.00 0.19 0.00 0.00 119 V 8.21 4.00 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 0.84 0.00 0.00 0.93 0.00 0.00 120 A 8.32 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.41 4.05 0.00 1.76 1.81 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.