NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3182 8.3149 121.7936 56.6032 33.4732 176.8942 4 C 5.1056 8.4103 122.6358 53.2889 38.7526 170.6276 5 S 4.4506 8.6829 118.0168 57.3483 63.9969 174.7459 6 L 4.0460 8.0556 126.9592 57.1965 41.5473 177.8819 7 T 3.8868 6.8511 112.3130 64.2758 68.9366 172.7593 8 G 3.6441 8.2228 112.0225 43.4319 0.0000 171.6577 9 K 4.9789 8.1034 118.4079 55.0697 34.7193 175.6887 10 W 5.2991 9.4069 123.5142 55.1936 33.6411 174.1313 11 T 5.4823 9.6316 115.9791 59.5043 70.7987 172.7028 12 N 5.9660 8.6844 124.4576 50.0107 40.1421 175.2299 13 D 4.4936 8.7153 117.5671 55.1117 39.3730 176.7699 14 L 4.3698 8.1067 118.5335 54.6087 42.6488 177.1729 15 G 3.8912 8.5282 107.4055 45.3737 0.0000 173.7374 16 S 4.6637 8.3400 116.1529 57.9367 64.3473 172.8937 17 N 5.6674 8.7752 117.8547 52.0341 43.0009 173.7493 18 M 5.5573 8.8556 118.3585 53.2971 35.5749 173.7779 19 T 5.0966 8.4565 116.2380 61.9275 72.2755 172.7289 20 I 4.7349 8.8153 127.2083 59.6347 39.7358 176.5458 21 G 3.9177 9.2419 115.8323 45.3460 0.0000 172.5041 22 A 4.0938 8.6019 123.5528 52.2082 18.7458 177.8001 23 V 4.2914 7.8046 123.2773 60.3705 31.9199 176.1624 24 N 4.6734 8.9766 124.1281 51.9333 38.0209 175.8127 25 S 4.3023 8.5614 111.8968 60.3851 63.0011 174.9454 26 R 4.4286 8.3257 118.7792 55.9535 30.5747 176.4532 27 G 4.0479 8.4039 105.9523 46.4907 0.0000 173.3844 28 E 4.8016 8.4185 119.6256 55.6558 30.9879 175.4815 29 F 5.3923 7.8020 115.6317 56.0965 41.7968 173.2052 30 T 4.7351 8.4559 115.8600 62.6198 72.4066 173.6987 31 G 4.8524 8.2254 107.9641 47.3768 0.0000 172.4682 32 T 5.0329 8.3437 108.4752 60.1637 72.8661 172.2353 33 Y 4.9576 9.5737 124.6298 56.0313 42.0090 174.0314 34 I 4.7867 8.6872 128.4668 59.7309 39.2194 175.0412 35 T 4.4551 8.9797 122.5667 61.5209 67.8310 174.4502 36 A 4.2679 9.4610 132.7376 53.6192 18.7645 177.3709 37 V 4.4033 7.4494 113.9394 60.4247 34.3967 173.5644 38 A 4.2355 7.7081 122.5833 51.9351 21.7976 176.2991 39 D 4.3571 8.8053 118.2821 57.0782 41.0256 176.9512 40 N 4.8407 7.7971 119.0668 50.7441 39.1566 173.2376 41 P 4.3442 0.0000 0.0000 64.0733 31.9382 179.2462 42 G 3.6997 8.0792 106.8471 48.0586 0.0000 174.0077 43 N 4.5654 7.7626 115.0736 53.0558 39.3124 175.4422 44 I 2.0000 6.4614 118.4681 61.6045 37.4833 175.2490 45 T 4.6615 7.2050 113.6411 58.9766 71.8778 173.1578 46 L 4.2584 8.6709 124.4039 56.3628 42.4126 176.3416 47 S 5.1318 9.4252 122.3170 55.9671 66.7306 172.0899 48 P 4.8337 0.0000 0.0000 62.9183 33.3410 174.8693 49 L 4.9935 8.0336 121.6870 54.1346 45.5507 174.1292 50 L 5.0589 8.5199 125.0074 53.3776 46.4999 175.7187 51 G 4.0561 7.1457 106.9034 46.0589 0.0000 171.8132 52 I 4.8865 8.3861 120.1967 59.3925 40.0271 175.3663 53 Q 5.1541 9.4643 127.8188 54.7929 31.6729 173.8128 54 H 4.5360 8.7461 120.5184 54.8881 30.1484 176.5513 *57 K 4.3869 8.7643 120.3546 56.1976 33.5466 175.2104 *59 A 4.1319 7.8496 121.2943 52.0203 19.3520 177.9680 60 S 4.3419 8.7244 117.4623 60.3307 63.6764 174.2883 61 Q 4.7331 7.9283 119.0580 52.0712 29.2069 173.2431 62 P 4.7073 0.0000 0.0000 62.2165 34.0273 175.5290 63 T 4.9593 8.2730 117.0728 63.0501 71.0293 173.5678 64 F 5.2700 8.1301 117.0029 56.7754 41.8036 172.8685 65 G 4.7077 9.4039 105.7464 45.3733 0.0000 171.9739 66 F 5.5648 9.0432 116.2383 55.8428 42.1181 172.9853 67 T 5.0481 9.3930 116.6006 61.8874 71.4522 173.7176 68 V 4.4253 8.9669 125.0883 61.0381 34.2844 173.7572 69 N 4.7705 8.0735 127.1537 51.2809 39.3248 174.0806 70 W 4.2684 7.3963 126.6845 56.8783 29.0183 177.0691 71 K 4.2308 9.2319 124.5701 57.5703 31.9940 177.5639 72 F 4.8822 7.6047 112.3373 56.4887 38.5295 174.8004 73 S 4.5135 7.1746 114.4515 58.0322 65.4160 173.1986 74 E 4.4257 8.5851 117.9407 56.6284 29.4044 176.1593 75 S 4.9208 7.9058 116.4292 57.8220 65.5382 173.0795 76 T 5.0959 8.7594 116.6440 62.2949 72.6650 173.4929 77 T 5.2243 8.6405 120.3401 61.9261 72.5156 173.3911 78 V 4.9132 8.6105 117.9350 59.5706 35.4503 174.6409 79 F 5.3117 8.9944 122.6585 55.8885 42.4559 174.3407 80 T 4.7799 8.6397 111.9802 60.3906 72.7809 173.3474 81 G 4.2493 7.0035 106.4507 47.3089 0.0000 171.7385 82 Q 4.9779 8.0524 120.8082 54.8274 32.9149 175.2861 83 C 4.9674 9.4091 126.7027 56.0766 39.1926 172.7338 84 F 5.0506 9.2361 124.8632 56.0898 42.0085 174.4274 85 I 4.7521 9.4225 121.1960 60.0192 38.7927 176.5000 *87 R 4.3729 8.6047 124.4679 56.5779 31.6630 177.3572 88 N 4.5624 8.0940 111.1100 53.7540 37.9091 176.4055 89 G 4.0120 8.2081 106.1537 45.5237 0.0000 174.1251 90 K 4.5174 7.2822 118.4434 55.3290 33.8838 176.3463 91 E 5.0479 8.7882 120.5237 55.9953 31.3887 175.8649 92 V 4.9547 8.4329 120.1137 60.8140 35.2464 172.8033 93 L 5.2396 8.9837 124.2525 53.2119 43.6597 175.9147 94 K 4.9589 8.9359 126.0338 55.9052 33.1288 176.5249 95 T 5.3293 9.3285 115.2544 60.3199 72.7744 172.6969 96 M 5.4525 9.4632 121.2073 53.5163 36.6939 174.4446 97 W 5.5640 8.6879 116.8072 55.1365 32.6854 173.5872 98 L 5.3577 8.9985 119.7577 52.9992 45.0244 175.3996 99 L 5.0302 9.9409 127.3653 53.5328 44.1343 174.8810 100 R 4.9165 9.1985 128.4688 55.1572 31.5436 176.2868 101 S 5.2311 8.8751 123.6051 57.1128 64.8747 173.3031 102 S 4.6644 8.4124 114.9436 56.6768 63.7676 173.3699 103 V 4.4990 8.0930 119.9051 59.7097 34.3706 175.3672 104 N 4.6304 8.5459 118.0254 54.1706 39.5225 174.9953 105 D 4.9379 7.5543 116.8832 51.7936 44.8665 175.8196 106 I 3.6619 8.5612 124.7314 64.2789 38.0737 177.9695 107 G 3.8578 8.3030 105.2779 47.0257 0.0000 173.3212 108 D 4.9168 8.0010 118.8857 53.7907 41.8889 177.6224 109 D 4.3055 8.6333 121.4400 56.9134 41.3078 178.2454 110 W 4.3909 8.3810 115.0718 58.8445 27.7409 176.5830 111 K 3.8640 6.8579 115.2340 56.1463 31.9842 176.4316 112 A 4.3072 7.9711 121.9122 52.8034 19.3156 177.0306 113 T 5.0815 7.5879 112.7035 61.6478 71.1434 173.6769 114 R 4.8741 9.3635 125.8960 54.3549 33.0135 175.5498 115 V 4.4301 7.9370 121.3676 60.1612 34.4451 174.7476 116 G 3.0855 6.4299 108.5251 45.5593 0.0000 170.7647 117 Y 5.3360 7.4232 117.3610 55.5259 41.3809 174.4698 118 N 5.1841 9.2577 114.2303 52.5203 44.1245 174.2955 119 I 5.0635 9.1348 123.1509 59.9479 39.9709 175.1114 120 F 5.2946 9.3177 126.4425 57.1289 41.4225 175.1659 121 T 5.2515 9.4970 113.7976 61.0604 71.0484 173.0674 122 R 3.7402 8.9535 127.3628 56.8963 31.0073 176.4496 123 L 4.3065 7.6937 120.7178 54.9193 41.4457 176.5676 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 3 K 8.31 4.32 0.00 1.73 1.80 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.55 7.81 4 C 8.41 5.11 0.00 3.21 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 5 S 8.68 4.45 0.00 3.86 3.73 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 6 L 8.06 4.05 0.00 1.21 0.91 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 7 T 6.85 3.89 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 1.24 0.00 0.00 8 G 8.22 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 9 K 8.10 4.98 0.00 1.74 1.86 0.00 1.36 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.26 7.81 10 W 9.41 5.30 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 11 T 9.63 5.48 4.41 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 1.34 0.00 0.00 12 N 8.68 5.97 0.00 2.32 1.42 0.00 0.00 6.62 7.37 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 13 D 8.72 4.49 0.00 2.86 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 14 L 8.11 4.37 0.00 1.78 1.76 0.92 1.02 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 15 G 8.53 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 0.00 0.00 0.00 16 S 8.34 4.66 0.00 3.84 3.76 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 17 N 8.78 5.67 0.00 2.52 2.61 0.00 0.00 6.89 7.49 0.00 0.00 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 M 8.86 5.56 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 19 T 8.46 5.10 4.22 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 1.18 0.00 0.00 20 I 8.82 4.73 1.96 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.40 0.54 0.00 0.00 21 G 9.24 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 22 A 8.60 4.09 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 23 V 7.80 4.29 2.17 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 0.76 0.00 0.00 1.07 0.00 0.00 24 N 8.98 4.67 0.00 2.95 3.04 0.00 0.00 6.32 7.26 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 25 S 8.56 4.30 0.00 4.01 4.04 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 26 R 8.33 4.43 0.00 1.78 1.93 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 27 G 8.40 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 28 E 8.42 4.80 0.00 2.05 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 2.17 2.17 0.00 29 F 7.80 5.39 0.00 3.01 3.07 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 30 T 8.46 4.74 4.25 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 1.26 0.00 0.00 31 G 8.23 4.85 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 32 T 8.34 5.03 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 1.23 0.00 0.00 33 Y 9.57 4.96 0.00 2.88 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 34 I 8.69 4.79 1.86 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 1.13 0.61 0.95 0.00 0.00 35 T 8.98 4.46 5.01 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 1.52 0.00 0.00 36 A 9.46 4.27 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 37 V 7.45 4.40 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 0.66 0.00 0.00 0.91 0.00 0.00 38 A 7.71 4.24 1.21 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 0.00 0.00 0.00 39 D 8.81 4.36 0.00 2.63 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 40 N 7.80 4.84 0.00 2.75 2.74 0.00 0.00 7.12 8.03 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 41 P 0.00 4.34 0.00 2.13 2.03 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 42 G 8.08 3.70 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 0.00 0.00 0.00 43 N 7.76 4.57 0.00 2.80 2.96 0.00 0.00 6.99 7.58 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 44 I 6.46 2.00 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.03 0.80 0.00 0.00 45 T 7.20 4.66 4.34 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 1.31 0.00 0.00 46 L 8.67 4.26 0.00 1.74 1.73 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.43 5.13 0.00 4.00 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 48 P 0.00 4.83 0.00 2.07 2.15 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 49 L 8.03 4.99 0.00 1.61 1.56 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.52 5.06 0.00 1.49 1.47 0.86 0.94 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 51 G 7.15 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.39 4.89 1.84 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 0.97 0.58 0.90 0.00 0.00 53 Q 9.46 5.15 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 54 H 8.75 4.54 0.00 3.33 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.76 4.39 0.00 1.81 1.90 0.00 1.88 0.00 0.00 1.60 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.38 7.81 *59 A 7.85 4.13 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 60 S 8.72 4.34 0.00 4.01 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 61 Q 7.93 4.73 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 62 P 0.00 4.71 0.00 2.24 2.31 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 63 T 8.27 4.96 4.25 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 1.21 0.00 0.00 64 F 8.13 5.27 0.00 3.47 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 65 G 9.40 4.71 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 66 F 9.04 5.56 0.00 3.23 3.29 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 67 T 9.39 5.05 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 1.16 0.00 0.00 68 V 8.97 4.43 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 -0.10 0.00 0.00 0.82 0.00 0.00 69 N 8.07 4.77 0.00 2.66 2.60 0.00 0.00 7.30 7.72 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 70 W 7.40 4.27 0.00 2.77 2.29 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 71 K 9.23 4.23 0.00 1.93 1.97 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.59 7.81 72 F 7.60 4.88 0.00 3.19 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 73 S 7.17 4.51 0.00 3.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.43 0.00 1.95 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 2.23 2.29 0.00 75 S 7.91 4.92 0.00 3.71 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 76 T 8.76 5.10 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 1.23 0.00 0.00 77 T 8.64 5.22 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 0.78 0.00 0.00 78 V 8.61 4.91 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 0.71 0.00 0.00 0.96 0.00 0.00 79 F 8.99 5.31 0.00 1.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 4.78 4.08 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 1.17 0.00 0.00 81 G 7.00 4.25 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 0.00 82 Q 8.05 4.98 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.96 0.00 0.00 0.00 0.00 0.00 1.50 2.22 0.00 83 C 9.41 4.97 0.00 3.01 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 84 F 9.24 5.05 0.00 3.07 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 85 I 9.42 4.75 1.96 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 1.33 0.84 0.96 0.00 0.00 *87 R 8.60 4.37 0.00 1.88 2.03 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 88 N 8.09 4.56 0.00 2.81 2.85 0.00 0.00 7.10 8.27 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 89 G 8.21 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 0.00 0.00 0.00 90 K 7.28 4.52 0.00 1.81 1.84 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.50 7.81 91 E 8.79 5.05 0.00 2.19 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 0.00 2.52 2.24 0.00 92 V 8.43 4.95 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 0.92 0.00 0.00 1.14 0.00 0.00 93 L 8.98 5.24 0.00 1.80 1.89 -0.55 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.94 4.96 0.00 1.91 1.91 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.68 7.81 95 T 9.33 5.33 4.70 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 1.61 0.00 0.00 96 M 9.46 5.45 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 97 W 8.69 5.56 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 98 L 9.00 5.36 0.00 1.60 1.61 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.94 5.03 0.00 1.54 1.77 0.92 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.20 4.92 0.00 1.93 1.81 0.00 3.31 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 101 S 8.88 5.23 0.00 3.69 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 0.00 102 S 8.41 4.66 0.00 3.78 3.70 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 0.00 103 V 8.09 4.50 2.02 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 0.68 0.00 0.00 0.84 0.00 0.00 104 N 8.55 4.63 0.00 2.70 2.86 0.00 0.00 6.64 8.06 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 0.00 105 D 7.55 4.94 0.00 2.71 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 0.00 106 I 8.56 3.66 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.93 0.00 0.00 107 G 8.30 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 0.00 0.00 0.00 108 D 8.00 4.92 0.00 2.92 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 0.00 109 D 8.63 4.31 0.00 2.84 2.75 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 0.00 110 W 8.38 4.39 0.00 3.61 3.25 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 0.00 111 K 6.86 3.86 0.00 0.96 0.74 0.00 1.17 0.00 0.00 1.15 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.75 7.81 112 A 7.97 4.31 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 0.00 113 T 7.59 5.08 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 1.23 0.00 0.00 114 R 9.36 4.87 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 115 V 7.94 4.43 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 0.58 0.00 0.00 0.71 0.00 0.00 116 G 6.43 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 0.00 0.00 0.00 117 Y 7.42 5.34 0.00 3.08 2.86 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 0.00 118 N 9.26 5.18 0.00 3.31 2.78 0.00 0.00 7.22 6.65 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 0.00 119 I 9.13 5.06 1.99 0.00 0.00 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 1.40 1.32 1.05 0.00 0.00 120 F 9.32 5.29 0.00 2.92 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 0.00 121 T 9.50 5.25 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 122 R 8.95 3.74 0.00 1.54 1.55 0.00 3.03 0.00 0.00 2.78 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 123 L 7.69 4.31 0.00 1.36 1.51 1.06 0.83 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 * Residues marked with a * may have inaccurate shift predictions.