NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2432 8.4331 121.4813 56.2227 31.3793 176.2073 3 G 3.7468 7.9925 105.4886 44.2552 0.0000 170.9745 4 D 4.8961 8.2320 118.3100 51.6269 43.9891 173.2182 5 P 4.4319 0.0000 0.0000 66.6032 31.0235 178.9939 6 E 3.9170 8.2126 117.7013 60.9106 29.6870 181.2877 7 A 4.3728 8.2428 121.7305 54.7002 18.6322 179.8594 8 G 3.5806 8.1942 104.3055 47.8675 0.0000 175.8007 9 A 2.5800 7.6957 122.5605 54.2588 18.6463 179.6927 10 K 4.0031 7.5889 115.5981 59.5905 32.1105 179.5519 11 A 4.1289 8.0876 120.5707 54.5155 18.3748 178.8362 12 F 4.2576 8.0939 118.3641 60.1926 39.1598 176.6784 13 N 4.3566 7.8824 115.4247 56.7277 38.1277 176.7402 14 Q 3.9146 7.7202 119.4602 59.3425 28.7351 178.3615 15 C 3.7921 7.3852 118.3830 62.0815 27.4726 175.4085 16 Q 4.7527 7.6119 119.5053 57.8369 27.8431 178.3638 17 T 3.9865 7.1950 111.0763 64.3536 68.9866 174.4554 18 C 4.7687 7.6157 117.1344 58.9741 31.4227 173.5294 19 H 5.2909 8.3343 115.4380 53.9045 32.0523 173.4018 20 V 4.8540 8.3351 112.5119 59.8998 36.3881 174.8053 21 I 4.8354 8.6522 122.7628 59.3682 38.6656 173.3955 22 V 4.7478 8.3491 125.4025 60.6338 33.6387 175.0531 23 D 3.3700 8.3741 127.8007 51.8468 40.3912 176.8445 24 D 4.3729 8.0594 118.1675 57.0973 40.7451 178.0467 25 S 4.2234 7.9833 113.3558 59.2486 63.2309 174.9469 26 G 3.9163 8.1097 108.6201 45.1647 0.0000 173.5411 27 T 3.9799 8.1066 118.0045 62.9178 68.7060 174.2134 28 T 4.2815 8.3348 124.0385 63.3879 68.2406 174.5218 29 I 3.8994 8.6840 129.3867 63.7359 37.7744 176.7556 30 A 4.4907 7.8394 120.3289 52.1933 21.7261 176.2149 31 G 4.1300 9.0967 107.2187 44.7616 0.0000 171.7331 32 R 4.4031 8.1606 115.7334 56.3319 32.3028 176.0422 33 N 5.0159 8.4265 116.4306 53.1969 41.1478 174.5238 34 A 4.1465 8.2183 121.4610 52.3001 18.8630 178.4859 35 K 4.5986 8.4100 120.0857 56.1840 33.9403 177.3186 36 T 4.0060 8.2717 116.2963 65.9890 68.4223 174.2681 37 G 3.6405 7.7935 108.4226 42.3453 0.0000 171.0800 38 P 4.0494 0.0000 0.0000 61.3883 32.0383 175.8099 39 N 4.4728 8.5470 118.4325 54.2935 39.2345 174.7515 40 L 4.3062 8.9366 125.0727 55.1486 42.0129 176.0205 41 Y 4.1445 8.4043 122.6453 58.7778 37.9008 176.4298 42 G 3.6663 8.3997 115.8130 45.2377 0.0000 175.4643 43 V 3.7483 7.4790 120.9634 63.9817 31.5789 176.4576 44 V 3.7518 6.7575 118.6005 64.0357 31.1179 176.1048 45 G 4.0249 9.2191 116.1547 45.3373 0.0000 172.9948 46 R 4.2753 7.8941 120.9510 55.9955 31.5077 175.7565 47 T 4.4517 8.4614 122.0811 63.1523 69.1955 174.2103 48 A 3.9725 8.5845 128.9823 52.7744 19.5877 177.8658 49 G 2.5533 8.8078 109.5059 46.6410 0.0000 174.1907 50 T 4.4545 7.7617 106.3437 60.3965 70.0776 173.2698 51 Q 4.0412 8.4852 124.3825 56.5351 29.0901 176.5225 52 A 4.1239 8.9251 129.4401 55.1983 18.3810 177.6032 53 D 4.6709 8.2510 113.4461 54.8212 41.8001 176.3933 54 F 4.5127 8.1806 121.9148 57.4611 39.6382 175.1160 55 K 4.4037 8.0467 126.5128 56.1050 32.3017 176.5099 56 G 3.7249 5.4295 105.6775 45.1043 0.0000 173.5436 57 Y 4.5657 7.7542 116.8365 57.6661 38.6446 176.7714 58 G 4.1222 8.7020 109.8011 43.7869 0.0000 174.9017 59 E 4.1713 8.7081 119.2669 59.2556 29.4527 179.8620 60 G 3.7090 8.1621 105.3729 48.0543 0.0000 175.2621 61 M 4.1508 8.1174 120.1810 58.3317 32.3443 178.3186 62 K 3.8844 7.9429 118.2829 59.2548 32.2121 178.8111 63 E 3.8863 8.3774 119.4188 59.3368 29.6609 178.6798 64 A 4.2372 8.1805 120.7737 55.2921 18.4438 179.9068 65 G 3.5624 8.1586 104.7850 47.2901 0.0000 175.8113 66 A 4.1473 8.1043 121.9929 53.8784 18.3307 178.7324 67 K 4.4619 7.4378 115.2437 56.1770 32.4080 177.1441 68 G 3.9515 7.9242 107.3204 44.8929 0.0000 173.3260 69 L 4.0782 7.8718 122.4056 53.8564 42.8970 175.3482 70 A 4.9039 8.0202 127.6648 49.4703 22.0579 175.4131 71 W 4.5168 8.7482 122.5399 56.8295 30.1774 175.3059 72 D 5.1435 8.6318 123.3549 50.6325 42.7862 176.1783 73 E 2.5400 8.1709 118.7404 59.0252 28.7147 178.0798 74 E 3.8417 8.0144 118.4004 60.0758 29.5063 178.5831 75 H 4.3999 8.4348 115.7899 58.5797 28.8127 177.4955 76 F 4.0942 8.4150 122.7250 61.4005 38.9675 177.2058 77 V 3.5065 7.7962 116.4076 66.1971 31.3202 177.7181 78 Q 4.1258 7.7013 116.5540 58.9957 28.6471 177.9103 79 Y 3.8560 7.6559 120.5323 60.8726 38.7384 178.8361 80 V 3.2174 7.3597 112.5240 63.7780 31.2532 178.4098 81 Q 4.2205 7.2343 117.2424 56.9877 29.7667 175.7703 82 D 4.3931 7.6355 114.7349 51.4139 43.4820 173.6829 83 P 4.0020 0.0000 0.0000 65.5270 31.5720 177.8349 84 T 3.9496 7.8565 113.5270 66.5393 68.5317 176.3157 85 K 3.9154 7.9950 121.5691 59.5648 32.1117 178.4439 86 F 4.1807 8.4397 120.6844 61.3837 39.2993 177.0193 87 L 4.0488 8.5019 118.6526 57.7251 41.4238 179.6212 88 K 4.0887 8.1350 118.3098 59.6684 31.8529 179.0616 89 E 3.8726 7.8172 117.8592 59.2871 29.5776 177.9303 90 Y 3.7763 7.7650 119.3500 60.5968 38.9352 177.3498 91 T 4.1157 8.0977 109.5382 62.2233 69.1999 175.8383 92 G 3.6726 7.9752 108.7068 45.6297 0.0000 172.5330 93 D 4.6434 7.6369 120.0073 51.8799 41.2152 176.9641 94 A 4.0432 8.6239 130.7287 54.7028 18.4894 177.8844 95 K 4.3255 8.2497 112.9435 56.2194 32.6064 176.9570 96 A 4.2051 7.7266 123.3911 52.0442 18.8271 177.2478 97 K 4.6284 8.3531 122.3483 54.7554 35.4182 175.9624 98 G 4.0896 8.5498 115.4416 45.1508 0.0000 174.0920 99 K 4.1047 8.6824 120.8851 58.0985 32.6079 177.0180 100 M 4.3478 8.0382 118.5716 54.7883 31.4200 175.7326 101 T 4.0896 8.4180 117.5547 63.6564 69.6327 175.1795 102 F 4.2368 8.0746 124.3827 57.7493 40.0206 174.1072 103 K 4.2236 6.9105 125.7920 53.9978 34.4923 175.5490 104 L 3.9050 8.5490 129.3665 55.2123 42.2504 178.0200 105 K 4.2779 8.4770 126.8176 55.1702 32.3572 173.1847 106 K 4.6627 7.5942 117.3877 54.7177 35.1048 176.7764 107 E 3.9268 8.9351 124.0791 59.2380 29.6267 178.6438 108 A 4.1245 8.0549 120.4854 55.2444 18.4528 179.1933 109 D 4.3705 8.0347 117.3697 57.3547 40.8738 178.6466 110 A 4.1968 8.0910 120.8646 55.8046 18.5257 179.3219 111 H 4.4069 8.1814 114.6781 58.9631 28.8426 177.9297 112 N 4.6216 8.3150 118.4587 56.5064 38.3902 177.5707 113 I 3.9565 8.6199 121.6105 64.1534 37.2138 178.3067 114 W 3.6691 8.5015 129.1111 60.3136 30.2820 177.9614 115 A 3.9777 7.9353 119.5532 55.1403 17.9970 178.6885 116 Y 4.1860 7.8995 118.1162 60.7448 38.8533 177.8853 117 L 3.4175 7.7889 120.0534 57.2186 41.3725 178.8864 118 Q 3.6270 7.3481 118.4615 57.4763 29.0532 176.7454 119 Q 4.3876 7.1971 115.9735 56.4635 29.6339 176.2818 120 V 4.1626 7.2390 110.7091 60.6945 34.1290 175.8765 121 A 4.5161 7.7669 122.0899 51.4629 19.1147 175.2900 122 V 4.1471 7.2808 118.4898 62.0138 32.8119 175.7586 123 R 3.9759 8.0555 129.4963 55.7317 30.6808 174.9540 *124 P 4.4688 0.0000 0.0000 62.3987 30.8263 174.3742 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 2 E 8.43 4.24 0.00 1.98 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 0.00 2.12 2.29 0.00 3 G 7.99 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 0.00 0.00 0.00 4 D 8.23 4.90 0.00 2.72 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 5 P 0.00 4.43 0.00 2.37 2.34 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 6 E 8.21 3.92 0.00 1.96 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 2.24 2.20 0.00 7 A 8.24 4.37 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 8 G 8.19 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 9 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.59 4.00 0.00 2.09 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 11 A 8.09 4.13 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 12 F 8.09 4.26 0.00 3.28 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 13 N 7.88 4.36 0.00 2.96 2.82 0.00 0.00 6.97 7.14 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 14 Q 7.72 3.91 0.00 1.81 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 15 C 7.39 3.79 0.00 1.61 2.50 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 16 Q 7.61 4.75 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.14 0.00 17 T 7.19 3.99 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 1.07 0.00 0.00 18 C 7.62 4.77 0.00 2.79 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 19 H 8.33 5.29 0.00 3.08 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.34 4.85 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 0.91 0.00 0.00 0.97 0.00 0.00 21 I 8.65 4.84 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.92 0.00 0.00 22 V 8.35 4.75 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 0.79 0.00 0.00 0.93 0.00 0.00 23 D 8.37 3.37 0.00 2.06 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 0.00 0.00 0.00 24 D 8.06 4.37 0.00 2.69 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 25 S 7.98 4.22 0.00 3.89 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 26 G 8.11 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 27 T 8.11 3.98 4.39 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 1.16 0.00 0.00 28 T 8.33 4.28 4.23 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 1.29 0.00 0.00 29 I 8.68 3.90 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.36 0.82 0.00 0.00 30 A 7.84 4.49 1.30 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 0.00 0.00 0.00 31 G 9.10 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 0.00 0.00 0.00 32 R 8.16 4.40 0.00 1.77 1.71 0.00 3.32 0.00 0.00 3.23 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 33 N 8.43 5.02 0.00 2.64 2.74 0.00 0.00 6.82 7.35 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 34 A 8.22 4.15 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 35 K 8.41 4.60 0.00 1.74 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.38 7.81 36 T 8.27 4.01 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 1.24 0.00 0.00 37 G 7.79 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 38 P 0.00 4.05 0.00 2.04 1.12 0.00 3.39 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 1.83 1.68 0.00 39 N 8.55 4.47 0.00 2.76 2.86 0.00 0.00 7.03 7.78 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 40 L 8.94 4.31 0.00 2.01 1.66 0.85 0.90 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 41 Y 8.40 4.14 0.00 3.01 2.97 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 42 G 8.40 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 43 V 7.48 3.75 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 0.51 0.00 0.00 0.85 0.00 0.00 44 V 6.76 3.75 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 0.66 0.00 0.00 0.22 0.00 0.00 45 G 9.22 4.02 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 0.00 46 R 7.89 4.28 0.00 2.24 2.12 0.00 3.28 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 47 T 8.46 4.45 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 48 A 8.58 3.97 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 49 G 8.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.45 4.27 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 1.26 0.00 0.00 51 Q 8.49 4.04 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 52 A 8.93 4.12 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 53 D 8.25 4.67 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 54 F 8.18 4.51 0.00 2.83 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 55 K 8.05 4.40 0.00 1.82 1.64 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 0.96 7.81 56 G 5.43 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 57 Y 7.75 4.57 0.00 3.11 2.96 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 58 G 8.70 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 0.00 0.00 0.00 59 E 8.71 4.17 0.00 2.04 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 2.45 2.35 0.00 60 G 8.16 3.71 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 0.00 0.00 0.00 61 M 8.12 4.15 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 62 K 7.94 3.88 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.55 7.81 63 E 8.38 3.89 0.00 2.24 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 0.00 2.32 2.35 0.00 64 A 8.18 4.24 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 65 G 8.16 3.56 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 66 A 8.10 4.15 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 67 K 7.44 4.46 0.00 1.94 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.62 7.81 68 G 7.92 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 69 L 7.87 4.08 0.00 0.97 1.13 0.06 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.02 4.90 1.17 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 0.00 0.00 71 W 8.75 4.52 0.00 3.72 3.38 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 72 D 8.63 5.14 0.00 2.72 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 73 E 8.17 2.54 0.00 1.16 1.68 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 2.20 1.92 0.00 74 E 8.01 3.84 0.00 2.01 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 2.31 2.39 0.00 75 H 8.43 4.40 0.00 3.34 3.39 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.42 4.09 0.00 3.05 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 77 V 7.80 3.51 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 0.81 0.00 0.00 0.85 0.00 0.00 78 Q 7.70 4.13 0.00 2.46 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 79 Y 7.66 3.86 0.00 1.92 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 80 V 7.36 3.22 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 0.02 0.00 0.00 0.64 0.00 0.00 81 Q 7.23 4.22 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.47 2.23 0.00 82 D 7.64 4.39 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 2.10 1.86 0.00 3.48 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.49 0.00 84 T 7.86 3.95 4.27 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 1.26 0.00 0.00 85 K 7.99 3.92 0.00 2.06 2.00 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 86 F 8.44 4.18 0.00 3.33 3.41 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 87 L 8.50 4.05 0.00 1.90 1.84 1.19 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.13 4.09 0.00 1.99 1.87 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.69 7.81 89 E 7.82 3.87 0.00 2.23 2.15 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 2.32 2.19 0.00 90 Y 7.77 3.78 0.00 2.21 2.54 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 0.00 91 T 8.10 4.12 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 1.32 0.00 0.00 92 G 7.98 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 93 D 7.64 4.64 0.00 2.76 2.57 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 0.00 0.00 0.00 0.00 94 A 8.62 4.04 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 95 K 8.25 4.33 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.38 7.81 96 A 7.73 4.21 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 97 K 8.35 4.63 0.00 1.71 1.68 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 98 G 8.55 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 0.00 0.00 0.00 99 K 8.68 4.10 0.00 1.94 2.01 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.52 7.81 100 M 8.04 4.35 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 101 T 8.42 4.09 4.27 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 1.31 0.00 0.00 102 F 8.07 4.24 0.00 2.94 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 0.00 103 K 6.91 4.22 0.00 1.37 1.37 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.18 7.81 104 L 8.55 3.90 0.00 1.70 1.49 1.06 0.51 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 0.00 105 K 8.48 4.28 0.00 1.82 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.34 1.02 7.81 106 K 7.59 4.66 0.00 2.01 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 0.95 7.81 107 E 8.94 3.93 0.00 2.19 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 2.49 2.42 0.00 108 A 8.05 4.12 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 0.00 109 D 8.03 4.37 0.00 2.92 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 0.00 110 A 8.09 4.20 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 0.00 111 H 8.18 4.41 0.00 3.38 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.31 4.62 0.00 3.05 3.15 0.00 0.00 6.99 7.27 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 0.00 113 I 8.62 3.96 2.30 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.95 1.37 0.00 0.00 114 W 8.50 3.67 0.00 3.31 3.22 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 0.00 115 A 7.94 3.98 1.46 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 0.00 0.00 116 Y 7.90 4.19 0.00 3.17 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 0.00 117 L 7.79 3.42 0.00 1.08 1.04 0.64 0.39 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 0.00 118 Q 7.35 3.63 0.00 1.69 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 119 Q 7.20 4.39 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 120 V 7.24 4.16 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 0.52 0.00 0.00 0.12 0.00 0.00 121 A 7.77 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.28 4.15 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 0.69 0.00 0.00 0.74 0.00 0.00 123 R 8.06 3.98 0.00 1.60 1.74 0.00 3.10 0.00 0.00 2.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 *124 P 0.00 4.47 0.00 2.13 1.80 0.00 3.83 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 1.94 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.