NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.9923 8.3549 109.7389 45.6246 0.0000 173.3813 8 R 4.0745 8.4153 118.1244 53.8269 32.2101 167.2725 9 V 3.4310 7.9245 125.3456 62.4008 32.3667 171.6399 10 T 4.1666 8.2185 117.7170 61.5302 70.7227 174.6068 11 N 4.3561 8.8316 119.8587 56.9449 38.4697 177.6459 12 Q 4.0426 8.0505 118.6826 59.0887 28.9269 178.7081 13 L 4.1320 7.9765 119.4674 57.6123 41.5469 179.6261 14 Q 4.0740 8.3454 118.2999 59.1219 28.6205 178.0135 15 Y 4.0461 8.4648 120.8748 60.8098 38.5483 178.0974 16 L 4.0825 8.5235 120.2436 57.9849 41.4651 179.1647 17 H 4.2549 8.1966 117.3033 59.3405 30.0712 177.0661 18 K 4.1199 8.2579 118.5006 57.5517 32.4409 178.2700 19 V 3.9683 7.5727 117.6265 64.3946 32.4768 177.5842 20 V 3.5296 6.6136 114.5990 64.0860 31.0191 177.0928 *22 K 4.2268 8.0978 119.8780 56.7915 33.6916 177.5000 23 A 3.9706 7.9552 119.9713 55.3459 18.7632 178.9265 24 L 4.2727 8.4022 115.9428 57.7188 41.9761 179.3417 25 W 4.3421 8.6284 127.1932 59.9850 30.5838 176.4313 26 K 4.3188 7.6047 114.3571 56.9739 33.1185 176.4216 27 H 4.1916 7.9675 121.1323 56.2384 30.2306 175.9838 28 Q 4.2022 8.1949 122.5668 58.5441 28.6765 176.8197 29 F 5.1188 8.4150 115.3789 57.8695 39.5977 176.8706 30 A 4.4111 8.2819 124.5274 54.2838 17.8451 179.6335 31 W 4.2399 8.3860 115.3583 59.6068 27.6943 176.4690 32 P 3.8820 0.0000 0.0000 63.7295 30.6245 177.2460 33 F 4.7309 7.7919 114.7310 57.2215 39.9360 176.9274 34 R 4.2961 7.6303 117.0220 56.9663 30.1924 176.0029 35 Q 4.7994 7.1096 114.5625 53.0849 31.9272 172.9069 36 P 4.2273 0.0000 0.0000 62.4908 31.8658 176.7771 37 V 3.2153 8.1469 121.4542 63.3679 31.7283 175.7981 38 D 4.5889 8.2201 126.1354 52.5700 41.3932 176.3096 39 A 3.7987 8.1805 129.7039 54.7556 18.5469 178.9683 40 V 3.4587 7.7763 116.3207 66.1021 31.5215 177.8462 41 K 3.8749 7.7944 117.7884 59.4150 32.1819 177.9464 42 L 4.3042 8.0657 116.1868 53.7850 42.8325 176.3577 43 G 3.8461 7.7693 106.3134 47.0818 0.0000 175.3003 44 L 4.9418 8.2252 117.7224 52.1725 42.3693 176.5439 45 P 4.3251 0.0000 0.0000 65.4857 32.0722 177.9941 46 D 4.6435 8.1665 116.5558 54.1023 40.4193 177.2664 47 Y 3.5154 8.2936 122.1498 61.3541 38.5054 177.4802 48 H 4.5203 8.0585 113.2877 57.2907 29.1272 177.2354 49 K 4.1501 7.7282 120.6548 59.0077 32.0086 178.6971 50 I 4.2152 7.5305 118.3592 62.1008 37.7187 175.9380 51 I 4.0918 7.2402 121.8940 59.7743 37.0717 175.6755 52 K 4.2804 8.4329 125.0761 57.0628 32.8733 177.1702 53 Q 4.4069 7.4900 118.7661 52.8997 28.6377 172.1074 54 P 4.5376 0.0000 0.0000 61.8838 33.8334 177.2047 *56 D 4.5401 8.0007 117.8055 53.4919 40.1042 177.8775 *58 G 3.9709 8.7083 103.2265 45.8307 0.0000 174.3434 59 T 3.7127 8.3182 117.3823 66.3861 68.3078 176.8287 60 I 3.6440 7.4616 121.2743 64.0225 37.0297 178.4654 61 K 3.7799 7.7845 119.9801 59.3475 32.0573 178.2981 62 R 3.7516 7.9756 119.3349 59.7833 29.8883 178.4644 63 R 3.6506 7.8251 117.4159 59.2762 29.7212 179.1170 64 L 4.1444 8.0334 117.9627 57.8153 41.6267 179.1116 65 E 4.1375 8.0131 117.9074 58.5945 29.4575 177.9176 66 N 4.7680 8.0361 114.1367 51.7357 39.2560 174.6007 67 N 4.2831 8.3056 115.7999 54.4350 36.4740 175.1193 68 Y 4.0706 8.0550 120.0055 60.4597 39.2874 175.6750 69 Y 4.5919 7.7308 116.6231 57.5264 38.7775 175.3120 70 W 4.8025 8.9756 123.5639 58.1599 30.1028 176.6622 71 A 4.8050 7.7717 118.7239 49.9043 21.6517 176.2220 72 A 4.0468 8.9596 123.5419 55.4392 18.5137 180.3835 73 S 4.2051 8.2428 108.5089 61.5528 63.2669 175.5134 74 E 4.0595 8.2124 121.9516 59.3739 29.6346 179.5989 75 C 3.4290 7.0254 115.9220 59.5052 31.0043 175.1375 *77 Q 4.3457 8.2553 118.4838 55.6792 30.3245 177.3091 78 D 4.2670 7.9138 115.9225 57.4139 40.8803 178.3346 79 F 3.7600 7.5578 116.6626 60.6177 39.1323 176.9766 80 N 4.5975 8.0964 115.6633 56.9766 38.7750 177.7171 81 T 3.9856 8.0284 114.9112 64.1584 68.6114 176.0929 *83 F 4.6240 8.0213 121.4061 57.9677 41.0564 177.7150 84 T 4.0236 8.3404 117.4944 66.5449 68.0491 176.1847 85 N 4.2510 8.5795 118.9488 56.7599 38.6572 176.8702 86 C 4.2210 7.9287 119.0421 62.8926 31.3212 175.1053 87 Y 4.4693 7.5122 117.8104 60.9814 37.1660 178.5622 88 I 3.8340 7.9703 120.4074 64.4647 37.4048 177.5590 89 Y 4.1287 8.1415 119.2513 59.8845 38.9906 175.9936 90 N 4.6593 7.5188 115.3061 51.9809 40.0313 175.1442 91 K 4.1861 8.7938 119.9081 55.6038 32.7245 176.8168 92 P 4.2611 0.0000 0.0000 65.7811 31.2907 177.3906 93 T 4.2859 7.6766 105.1690 61.8967 69.8083 174.7437 94 D 4.4699 8.0388 124.2737 54.3568 41.6084 176.8543 95 D 4.3391 8.9601 123.5695 57.5862 41.0589 178.8124 96 I 3.5778 7.7353 117.5773 63.8942 38.3318 177.0463 97 V 3.9714 8.0100 120.1871 66.0303 31.6435 178.7482 98 L 4.2181 7.7699 116.4543 55.3562 40.9742 178.8762 *100 A 4.1024 8.1786 122.9735 52.4574 20.5643 179.8020 101 Q 4.1132 8.4212 116.3910 58.8185 28.6548 179.6027 102 T 3.8972 7.9916 116.4483 66.7448 68.6031 176.7969 103 L 3.9438 7.8441 120.3700 57.7870 41.5877 179.1057 104 E 3.2526 7.8544 119.5819 58.5395 29.3409 178.9318 105 K 3.9020 7.9971 118.7704 59.4368 32.0530 179.2232 106 I 3.6579 7.5159 119.5943 64.2579 36.9532 177.8781 107 F 4.0422 8.2011 121.4511 61.6387 39.0772 177.3406 108 L 3.6154 8.1339 118.2748 57.6152 41.1713 179.3977 109 Q 3.9447 7.8830 117.0312 59.1091 29.0222 179.0241 110 K 4.1943 8.3034 119.7211 59.4470 31.8791 179.7295 111 V 3.5560 7.6629 117.5832 65.5782 31.3690 177.3937 112 A 4.2332 7.8486 120.1781 53.4522 18.1684 177.1824 113 S 4.2794 7.5725 113.5756 56.2337 63.1630 171.8914 *115 P 4.0167 0.0000 0.0000 61.8844 32.1139 176.1471 116 Q 4.1221 8.1822 119.7818 55.5458 29.6208 175.5046 117 E 4.1036 8.3242 119.7370 56.8150 30.6522 176.4759 118 E 4.0539 8.6579 119.4459 56.8306 30.5226 174.0089 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 7 G 8.35 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 8 R 8.42 4.07 0.00 1.88 1.98 0.00 3.47 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 9 V 7.92 3.43 2.14 0.00 0.00 0.00 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 1.03 0.00 0.00 10 T 8.22 4.17 4.28 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 1.27 0.00 0.00 11 N 8.83 4.36 0.00 2.77 2.95 0.00 0.00 6.91 7.74 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 12 Q 8.05 4.04 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 13 L 7.98 4.13 0.00 1.82 1.84 1.08 0.92 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 14 Q 8.35 4.07 0.00 2.49 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 15 Y 8.46 4.05 0.00 3.17 3.16 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 16 L 8.52 4.08 0.00 1.99 1.91 1.01 1.25 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 17 H 8.20 4.25 0.00 3.31 3.50 0.00 5.94 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 18 K 8.26 4.12 0.00 1.89 1.79 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 19 V 7.57 3.97 0.96 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 0.70 0.00 0.00 0.57 0.00 0.00 20 V 6.61 3.53 2.27 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 0.69 0.00 0.00 0.85 0.00 0.00 *22 K 8.10 4.23 0.00 1.88 1.97 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 A 7.96 3.97 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 24 L 8.40 4.27 0.00 2.00 1.94 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.63 4.34 0.00 3.43 3.23 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 26 K 7.60 4.32 0.00 1.78 2.04 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.80 1.42 7.81 27 H 7.97 4.19 0.00 3.46 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.19 4.20 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 29 F 8.41 5.12 0.00 3.09 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 30 A 8.28 4.41 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 4.24 0.00 3.56 3.32 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 32 P 0.00 3.88 0.00 0.49 1.14 0.00 3.08 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 0.88 0.44 0.00 33 F 7.79 4.73 0.00 3.02 2.95 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 34 R 7.63 4.30 0.00 1.70 1.79 0.00 2.68 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.43 0.00 35 Q 7.11 4.80 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 36 P 0.00 4.23 0.00 2.03 2.02 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 37 V 8.15 3.22 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 -0.17 0.00 0.00 0.57 0.00 0.00 38 D 8.22 4.59 0.00 2.67 2.47 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 39 A 8.18 3.80 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 40 V 7.78 3.46 2.20 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 1.02 0.00 0.00 0.93 0.00 0.00 41 K 7.79 3.87 0.00 1.87 1.93 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 L 8.07 4.30 0.00 1.59 1.62 0.74 1.07 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 43 G 7.77 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 44 L 8.23 4.94 0.00 1.77 1.56 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.33 0.00 2.22 2.22 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 46 D 8.17 4.64 0.00 2.97 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 47 Y 8.29 3.52 0.00 2.82 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 48 H 8.06 4.52 0.00 3.20 3.33 0.00 5.75 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 49 K 7.73 4.15 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.66 7.81 50 I 7.53 4.22 1.98 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 1.66 0.39 0.97 0.00 0.00 51 I 7.24 4.09 0.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.09 0.79 0.00 0.00 52 K 8.43 4.28 0.00 1.71 1.84 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.34 7.81 53 Q 7.49 4.41 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 54 P 0.00 4.54 0.00 2.12 2.14 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 *56 D 8.00 4.54 0.00 3.10 2.35 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 *58 G 8.71 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 59 T 8.32 3.71 4.36 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 1.01 0.00 0.00 60 I 7.46 3.64 1.52 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.54 0.00 0.00 61 K 7.78 3.78 0.00 1.55 1.61 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.28 1.18 7.81 62 R 7.98 3.75 0.00 1.91 1.96 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 63 R 7.83 3.65 0.00 1.71 1.00 0.00 2.73 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.26 0.00 64 L 8.03 4.14 0.00 1.66 1.55 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.01 4.14 0.00 2.03 1.96 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 2.33 2.32 0.00 66 N 8.04 4.77 0.00 2.65 2.82 0.00 0.00 7.21 7.51 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 67 N 8.31 4.28 0.00 2.87 2.94 0.00 0.00 7.02 7.46 0.00 0.00 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 Y 8.06 4.07 0.00 2.70 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 69 Y 7.73 4.59 0.00 3.11 2.85 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 70 W 8.98 4.80 0.00 3.35 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 71 A 7.77 4.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.05 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 73 S 8.24 4.21 0.00 4.03 4.07 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 0.00 0.00 0.00 0.00 74 E 8.21 4.06 0.00 2.04 2.20 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 2.57 2.33 0.00 75 C 7.03 3.43 0.00 1.64 2.72 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 *77 Q 8.26 4.35 0.00 2.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 78 D 7.91 4.27 0.00 2.71 2.56 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 79 F 7.56 3.76 0.00 2.63 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 0.00 0.00 0.00 80 N 8.10 4.60 0.00 2.94 3.04 0.00 0.00 7.12 7.22 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 81 T 8.03 3.99 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 1.27 0.00 0.00 *83 F 8.02 4.62 0.00 3.13 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 84 T 8.34 4.02 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 85 N 8.58 4.25 0.00 2.71 2.94 0.00 0.00 6.67 7.70 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 86 C 7.93 4.22 0.00 3.12 2.95 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 87 Y 7.51 4.47 0.00 3.13 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 88 I 7.97 3.83 1.93 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 1.48 0.75 0.94 0.00 0.00 89 Y 8.14 4.13 0.00 2.89 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 90 N 7.52 4.66 0.00 3.03 2.96 0.00 0.00 7.15 6.99 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 91 K 8.79 4.19 0.00 2.09 1.70 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.34 7.81 92 P 0.00 4.26 0.00 2.02 2.13 0.00 3.65 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 2.02 2.10 0.00 93 T 7.68 4.29 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 1.20 0.00 0.00 94 D 8.04 4.47 0.00 2.86 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 95 D 8.96 4.34 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 96 I 7.74 3.58 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.97 0.00 0.00 97 V 8.01 3.97 2.32 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 1.10 0.00 0.00 1.15 0.00 0.00 98 L 7.77 4.22 0.00 1.95 1.57 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.18 4.10 1.47 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 0.00 101 Q 8.42 4.11 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 102 T 7.99 3.90 4.54 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 1.34 0.00 0.00 103 L 7.84 3.94 0.00 1.74 1.83 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.85 3.25 0.00 1.16 1.63 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 2.22 2.08 0.00 105 K 8.00 3.90 0.00 1.98 1.82 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 106 I 7.52 3.66 2.03 0.00 0.00 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 1.42 0.69 0.93 0.00 0.00 107 F 8.20 4.04 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.13 3.62 0.00 1.69 1.63 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.88 3.94 0.00 2.18 2.15 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 2.58 2.54 0.00 110 K 8.30 4.19 0.00 1.68 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.54 7.81 111 V 7.66 3.56 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.43 0.00 0.00 112 A 7.85 4.23 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 0.00 113 S 7.57 4.28 0.00 4.05 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 *115 P 0.00 4.02 0.00 2.14 2.02 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 116 Q 8.18 4.12 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 117 E 8.32 4.10 0.00 2.12 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 2.43 2.28 0.00 118 E 8.66 4.05 0.00 2.13 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 2.17 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.