NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4129 8.3049 120.3433 55.5411 33.5273 175.2056 2 N 4.1651 8.7191 122.4567 55.0512 39.2704 173.8615 3 Y 4.9084 8.0899 113.2471 55.5861 43.0308 172.6614 4 P 4.4562 0.0000 0.0000 62.4039 32.0800 177.0698 5 V 3.7926 8.1153 121.3102 60.9749 32.3854 175.5099 6 N 4.2340 8.7972 120.5661 53.7607 38.9016 173.8896 7 P 4.4174 0.0000 0.0000 64.8377 31.8751 176.8203 8 D 4.6267 8.4347 117.4679 54.9066 41.6394 178.3975 9 L 3.9114 8.0271 121.9902 58.2459 42.0203 178.3103 10 M 3.9876 7.9321 117.6138 58.2839 32.2196 176.1850 11 P 4.2145 0.0000 0.0000 65.4772 31.3927 178.3739 12 A 3.9416 8.0903 119.6221 54.9716 18.2524 179.4930 13 L 3.5899 8.0331 118.8971 58.4895 42.2041 179.0476 14 M 4.1266 8.2567 118.7386 58.4295 31.8410 178.5488 15 A 4.0820 8.3224 121.2497 55.1313 18.5004 179.9557 16 V 3.4973 7.4802 116.7697 66.1187 31.6199 178.2130 17 F 4.5622 8.0180 117.6259 60.6988 38.6660 177.3987 18 Q 3.9573 8.7940 119.4059 59.4963 28.8268 177.5881 19 H 4.0158 8.5767 119.6496 59.4564 29.8298 177.2398 20 V 3.4516 7.8779 119.7374 65.9125 31.2909 177.9693 21 R 3.8635 7.9763 118.4274 59.7331 29.8939 178.6228 22 T 3.8375 8.0893 115.6956 66.6948 68.4629 176.9582 23 R 3.8288 8.1037 120.1956 59.1578 30.0746 179.1598 24 I 3.6417 7.6644 119.5456 64.4769 37.0760 178.2137 25 Q 3.9414 8.3183 120.6696 59.2249 28.8090 178.2730 26 S 4.0524 8.2577 114.2199 61.3934 62.3605 176.0324 27 E 3.9244 8.2515 121.1621 59.4344 29.2573 179.1966 28 L 3.9849 7.9681 118.9395 58.0255 41.6970 179.5228 29 D 4.3398 8.3612 118.8010 57.5641 40.5966 178.4636 30 C 4.1360 8.4526 116.3275 62.9581 28.2692 175.5935 31 Q 4.2220 8.0850 116.1062 55.6597 28.3771 176.2924 32 R 3.9306 7.6821 117.9229 57.3509 27.9738 177.3088 33 L 4.1486 8.0943 118.7329 55.0936 42.5237 176.6057 34 D 4.4034 7.9892 117.4539 55.6902 38.1708 173.2684 35 L 4.9858 7.5937 116.3016 52.8430 45.4810 177.1689 36 T 4.6787 8.7325 112.3430 58.9350 72.7358 173.5715 37 P 4.1860 0.0000 0.0000 65.4702 31.2210 177.0150 38 P 4.2852 0.0000 0.0000 65.6690 31.2257 178.2123 39 D 4.3436 7.7319 116.1664 57.4912 40.8190 179.0685 40 V 3.5980 7.7530 118.5537 66.3177 31.5082 177.7755 41 H 4.2334 8.3946 116.0809 58.8188 28.5695 177.9526 42 V 3.5895 8.0250 120.1233 66.0458 31.3891 177.9775 43 L 3.9749 8.0436 118.7259 57.6513 41.3758 179.4618 44 K 3.7704 8.1508 119.4414 59.5004 32.1109 178.8764 45 L 3.9598 7.9656 119.2052 57.9137 41.3034 179.6331 46 I 3.6412 7.5511 118.8039 64.2563 37.0574 177.7200 47 D 4.4200 7.9446 118.2300 57.3660 41.1373 177.8954 48 E 4.2153 8.2742 118.3252 57.8261 31.1674 177.2469 49 Q 4.5294 8.0039 117.6054 53.0057 28.9551 174.2003 50 R 3.9480 7.8625 118.9412 57.8439 30.9058 176.3976 51 G 3.1308 7.3970 111.5267 45.3215 0.0000 173.1751 52 L 3.7131 7.1612 120.6492 55.5961 42.5191 176.7064 53 N 4.8467 8.4944 122.4824 52.5945 40.7291 176.0529 54 L 3.9539 7.8631 121.9758 58.4433 42.2666 179.6835 55 Q 3.9898 8.0189 117.1063 59.2448 28.4786 177.9795 56 D 4.3713 8.0064 120.4928 56.7323 40.8623 178.2451 57 L 4.0309 8.2347 121.3761 58.0925 41.9234 178.9146 58 G 3.8303 8.0134 104.6004 48.2324 0.0000 175.1416 59 R 4.0434 7.7468 119.6509 58.8445 30.2421 177.8097 60 Q 4.3011 7.6306 114.8158 54.9747 29.4366 176.3096 61 M 4.2918 7.9990 118.7502 55.4743 31.4241 176.9321 *68 I 4.1894 8.6498 130.2345 62.1177 40.1933 176.6652 69 T 3.8529 7.8326 116.5270 66.4944 68.1837 176.3899 70 R 3.8712 7.8666 120.2233 59.1753 30.2232 178.3095 71 K 4.1044 7.9496 118.9633 59.6984 32.3125 178.6740 72 I 3.6935 8.0602 120.4152 64.1779 36.9765 178.2617 73 R 3.8354 8.0396 119.5971 59.4592 29.8853 178.2732 74 E 3.9395 8.1824 118.0816 59.6637 29.4794 179.4532 75 L 4.0190 8.0428 118.8277 57.6720 41.6445 179.3108 76 E 4.5573 8.2092 121.2409 58.8577 29.3973 179.1664 77 G 3.6668 7.9467 104.5313 47.5852 0.0000 174.9848 78 R 4.2180 7.8367 117.3253 55.4918 30.2847 175.8783 79 N 4.2495 7.8859 116.2053 54.7802 38.1866 174.6660 80 L 4.5328 8.1383 118.2346 54.9519 43.9813 176.9403 81 V 4.8936 7.7038 117.3280 60.8545 35.3965 174.2484 82 R 4.9245 9.4595 126.5881 54.6295 33.0465 174.1789 83 R 5.3184 8.6654 124.6237 54.9470 31.9371 175.4708 84 E 5.0494 9.4773 122.6639 54.2379 33.5314 175.7044 85 R 3.9933 8.6670 121.7797 55.8776 31.0726 176.0807 86 N 4.3235 8.6624 122.5622 53.4141 39.2143 174.0907 87 P 4.3071 0.0000 0.0000 65.0775 31.6852 177.2688 88 S 4.4444 8.2067 112.5550 58.5885 63.9208 173.4523 89 D 4.6373 7.8113 118.9182 52.1231 41.7441 175.8360 90 Q 4.0309 8.4953 125.5237 57.7013 29.0097 177.7815 91 R 4.1443 7.8018 115.8412 56.8923 30.8610 176.1950 92 S 4.9500 7.4562 112.6545 56.4545 66.0124 173.0323 93 F 5.3380 8.5679 117.9413 55.9470 42.4570 174.6937 94 Q 4.8342 9.4233 122.0884 54.9138 31.3239 174.4288 95 L 5.2395 8.4353 121.0729 53.2303 44.6795 175.8188 96 F 5.0600 8.9418 120.3401 55.7170 43.6853 173.9481 97 L 4.8519 8.6448 122.1851 54.4685 42.6305 176.9716 98 T 4.1703 8.4702 113.0408 61.3940 70.3837 174.9628 99 D 4.3775 8.9629 121.2967 57.8041 40.7341 178.9286 100 E 4.0638 8.2496 119.1121 59.2373 29.5901 178.9579 101 G 3.9500 8.3728 107.3980 47.0473 0.0000 175.4554 102 L 3.9830 8.2769 122.8221 57.9405 42.1226 178.8808 103 A 4.0121 8.0882 120.6296 55.3351 18.3119 179.7644 104 I 3.7086 7.9663 118.2766 64.5874 37.2065 177.9449 105 H 4.1043 8.5242 119.4512 59.5715 29.7143 177.3454 106 L 3.9257 8.1553 120.6422 57.7653 41.2932 179.0380 107 H 4.1206 8.4831 118.2513 59.1398 29.8295 177.0536 108 A 3.9146 8.5308 122.9299 55.2895 18.1608 179.4199 109 E 3.8723 8.1128 116.9063 59.5980 29.4772 179.6333 110 L 4.0646 7.8297 120.2534 57.1470 41.6068 179.5302 111 I 3.6248 7.8412 119.9727 64.7644 37.1558 178.3604 112 M 4.0912 8.1427 119.6322 58.4008 31.4407 179.0550 113 S 4.2057 8.2803 114.5316 61.3294 63.1580 176.4489 114 R 3.8793 8.2150 122.5106 59.1550 29.8354 178.5957 115 V 3.5202 7.9277 118.0236 66.2917 31.4979 177.7662 116 H 3.7881 8.1066 115.5987 58.8275 28.5026 177.2781 117 D 4.5252 8.4519 121.0715 57.8337 40.5099 179.0878 118 E 3.9431 8.2453 117.6691 59.0378 29.4331 178.9353 119 L 3.8869 7.4820 119.8287 57.9864 42.3851 178.4781 120 F 4.7811 8.0034 116.7294 59.4207 39.0515 177.7357 121 A 4.0546 8.2166 120.2428 54.7495 18.1055 177.0320 122 P 4.3513 0.0000 0.0000 64.6467 31.7980 176.6973 123 L 4.5059 7.8344 119.0266 53.8852 42.5402 177.5498 124 T 4.1204 8.8548 113.7185 61.0087 70.7266 173.7752 125 P 4.2305 0.0000 0.0000 65.8893 31.3436 179.0656 126 V 3.5610 7.7369 116.3456 66.0712 31.4366 177.7472 127 E 3.9644 8.1726 118.2400 59.5406 29.2957 179.4240 128 Q 3.8683 8.5200 118.2402 58.8961 28.7705 178.6902 129 A 3.8611 8.0765 121.8005 55.3322 18.3482 179.8659 130 T 3.7711 7.9244 114.2952 66.6102 68.4758 176.6504 131 L 3.9070 8.0397 122.4209 58.0142 41.9900 179.0972 132 V 3.4857 7.7458 118.1540 66.3817 31.4218 177.6730 133 H 4.2442 8.0567 115.7925 58.9870 28.6105 177.8829 134 L 4.0186 8.1037 120.7140 57.7009 41.0849 179.5278 135 L 4.0259 8.1129 119.0536 57.9843 41.5973 179.3234 136 D 4.3134 8.4441 119.1392 57.3784 40.2900 178.6062 137 Q 4.0767 8.3440 120.1806 59.3621 28.7875 178.0148 138 C 4.1755 7.8161 116.5328 62.4481 28.1893 175.3555 139 L 4.3651 7.1440 118.4849 56.6221 42.0311 178.2714 140 A 4.1078 8.3258 119.9972 54.8625 18.3787 177.2365 141 A 4.2054 7.5147 122.0684 52.3954 18.9969 176.8902 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 M 8.30 4.41 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 2 N 8.72 4.17 0.00 2.72 2.31 0.00 0.00 6.76 6.57 0.00 0.00 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 8.09 4.91 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 4 P 0.00 4.46 0.00 2.08 2.02 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 5 V 8.12 3.79 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 0.70 0.00 0.00 0.95 0.00 0.00 6 N 8.80 4.23 0.00 2.74 2.77 0.00 0.00 7.14 7.71 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 7 P 0.00 4.42 0.00 2.08 2.10 0.00 3.72 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 2.02 2.11 0.00 8 D 8.43 4.63 0.00 2.84 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 9 L 8.03 3.91 0.00 1.77 1.74 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.93 3.99 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 11 P 0.00 4.21 0.00 2.19 2.08 0.00 3.79 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 2.20 2.15 0.00 12 A 8.09 3.94 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 13 L 8.03 3.59 0.00 1.69 1.66 0.49 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.26 4.13 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 15 A 8.32 4.08 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 16 V 7.48 3.50 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 1.00 0.00 0.00 0.90 0.00 0.00 17 F 8.02 4.56 0.00 3.30 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 18 Q 8.79 3.96 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 19 H 8.58 4.02 0.00 3.29 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.88 3.45 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 0.88 0.00 0.00 0.89 0.00 0.00 21 R 7.98 3.86 0.00 1.95 1.91 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 T 8.09 3.84 4.35 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 1.18 0.00 0.00 23 R 8.10 3.83 0.00 1.69 1.86 0.00 3.21 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 1.43 1.43 0.00 24 I 7.66 3.64 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.88 0.00 0.00 25 Q 8.32 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 26 S 8.26 4.05 0.00 3.94 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 27 E 8.25 3.92 0.00 2.16 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 2.47 2.47 0.00 28 L 7.97 3.98 0.00 1.86 1.72 0.91 0.95 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 29 D 8.36 4.34 0.00 2.85 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 30 C 8.45 4.14 0.00 3.07 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 31 Q 8.08 4.22 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 32 R 7.68 3.93 0.00 1.98 2.04 0.00 3.31 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 33 L 8.09 4.15 0.00 1.66 1.73 0.98 0.86 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 34 D 7.99 4.40 0.00 2.78 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 35 L 7.59 4.99 0.00 1.58 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.73 4.68 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 37 P 0.00 4.19 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 38 P 0.00 4.29 0.00 2.16 2.12 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 39 D 7.73 4.34 0.00 2.88 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 40 V 7.75 3.60 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 0.98 0.00 0.00 0.95 0.00 0.00 41 H 8.39 4.23 0.00 3.36 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.03 3.59 2.22 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 1.03 0.00 0.00 0.98 0.00 0.00 43 L 8.04 3.97 0.00 1.90 1.72 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.15 3.77 0.00 1.97 2.00 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.60 1.54 7.81 45 L 7.97 3.96 0.00 1.85 1.67 0.91 0.66 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 46 I 7.55 3.64 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 1.35 0.55 0.91 0.00 0.00 47 D 7.94 4.42 0.00 2.50 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.22 0.00 2.00 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 2.34 2.54 0.00 49 Q 8.00 4.53 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 50 R 7.86 3.95 0.00 1.78 1.87 0.00 3.42 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 51 G 7.40 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 0.00 0.00 0.00 52 L 7.16 3.71 0.00 1.88 1.47 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.49 4.85 0.00 2.92 2.93 0.00 0.00 6.78 6.74 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 54 L 7.86 3.95 0.00 1.85 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.02 3.99 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 56 D 8.01 4.37 0.00 2.80 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 57 L 8.23 4.03 0.00 1.72 1.82 0.90 1.00 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 58 G 8.01 3.83 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 0.00 0.00 0.00 59 R 7.75 4.04 0.00 1.84 2.14 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 60 Q 7.63 4.30 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 61 M 8.00 4.29 0.00 1.94 1.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.80 0.00 *68 I 8.65 4.19 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 1.41 1.50 0.91 0.00 0.00 69 T 7.83 3.85 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 70 R 7.87 3.87 0.00 1.87 1.91 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 71 K 7.95 4.10 0.00 1.90 1.96 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.59 7.81 72 I 8.06 3.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.88 0.00 0.00 73 R 8.04 3.84 0.00 1.94 2.12 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 74 E 8.18 3.94 0.00 2.24 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 2.32 2.53 0.00 75 L 8.04 4.02 0.00 1.69 1.72 0.92 0.70 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 76 E 8.21 4.56 0.00 2.02 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 2.27 2.30 0.00 77 G 7.95 3.67 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 0.00 0.00 0.00 78 R 7.84 4.22 0.00 1.81 1.98 0.00 3.30 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 79 N 7.89 4.25 0.00 2.84 2.89 0.00 0.00 7.05 7.06 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 80 L 8.14 4.53 0.00 1.74 1.69 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.70 4.89 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 1.07 0.00 0.00 0.94 0.00 0.00 82 R 9.46 4.92 0.00 1.89 1.81 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 83 R 8.67 5.32 0.00 1.61 1.85 0.00 2.92 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 84 E 9.48 5.05 0.00 2.16 1.85 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 2.20 2.28 0.00 85 R 8.67 3.99 0.00 1.59 1.65 0.00 3.14 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.43 0.00 86 N 8.66 4.32 0.00 2.73 2.92 0.00 0.00 7.01 7.23 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 87 P 0.00 4.31 0.00 2.08 2.11 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 88 S 8.21 4.44 0.00 3.97 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 89 D 7.81 4.64 0.00 2.62 2.46 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 0.00 0.00 0.00 0.00 90 Q 8.50 4.03 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 91 R 7.80 4.14 0.00 1.78 1.97 0.00 3.12 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 92 S 7.46 4.95 0.00 3.83 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 93 F 8.57 5.34 0.00 2.96 2.98 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 94 Q 9.42 4.83 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 95 L 8.44 5.24 0.00 1.42 1.49 0.90 1.06 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 96 F 8.94 5.06 0.00 2.98 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 97 L 8.64 4.85 0.00 1.58 1.69 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.47 4.17 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 1.30 0.00 0.00 99 D 8.96 4.38 0.00 2.71 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 0.00 100 E 8.25 4.06 0.00 2.04 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 2.38 2.38 0.00 101 G 8.37 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 0.00 102 L 8.28 3.98 0.00 1.79 1.87 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.09 4.01 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 0.00 104 I 7.97 3.71 1.96 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 1.55 0.82 0.94 0.00 0.00 105 H 8.52 4.10 0.00 3.24 3.58 0.00 5.78 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 0.00 106 L 8.16 3.93 0.00 1.74 1.69 0.95 0.87 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 0.00 107 H 8.48 4.12 0.00 3.32 3.46 0.00 5.79 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 0.00 108 A 8.53 3.91 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 0.00 109 E 8.11 3.87 0.00 2.09 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 2.31 2.28 0.00 110 L 7.83 4.06 0.00 1.79 1.68 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.84 3.62 1.95 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 1.43 0.46 0.87 0.00 0.00 112 M 8.14 4.09 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 113 S 8.28 4.21 0.00 4.08 4.13 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 0.00 114 R 8.21 3.88 0.00 1.95 2.09 0.00 3.22 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 115 V 7.93 3.52 2.16 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 0.83 0.00 0.00 0.94 0.00 0.00 116 H 8.11 3.79 0.00 3.51 3.47 0.00 5.89 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 0.00 117 D 8.45 4.53 0.00 2.84 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 0.00 118 E 8.25 3.94 0.00 2.01 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 2.34 2.42 0.00 119 L 7.48 3.89 0.00 1.42 1.13 0.65 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.00 4.78 0.00 3.19 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 0.00 121 A 8.22 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 0.00 122 P 0.00 4.35 0.00 2.07 2.13 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 123 L 7.83 4.51 0.00 1.80 1.60 0.97 0.80 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 0.00 124 T 8.85 4.12 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 0.00 125 P 0.00 4.23 0.00 2.17 2.14 0.00 3.60 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 2.11 2.15 0.00 126 V 7.74 3.56 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 1.06 0.00 0.00 0.92 0.00 0.00 127 E 8.17 3.96 0.00 2.30 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 2.32 2.35 0.00 128 Q 8.52 3.87 0.00 2.15 2.03 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 2.67 0.00 129 A 8.08 3.86 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 0.00 130 T 7.92 3.77 4.35 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 1.21 0.00 0.00 131 L 8.04 3.91 0.00 1.77 1.72 0.91 0.86 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 0.00 132 V 7.75 3.49 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 1.07 0.00 0.00 0.84 0.00 0.00 133 H 8.06 4.24 0.00 3.40 3.30 0.00 5.69 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 0.00 134 L 8.10 4.02 0.00 1.69 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.11 4.03 0.00 1.82 1.74 0.93 0.95 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 0.00 136 D 8.44 4.31 0.00 2.88 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 0.00 137 Q 8.34 4.08 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 138 C 7.82 4.18 0.00 3.22 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 0.00 139 L 7.14 4.37 0.00 1.58 1.73 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.33 4.11 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 0.00 141 A 7.51 4.21 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 * Residues marked with a * may have inaccurate shift predictions.