NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3772 8.3049 118.1990 53.7419 32.8355 174.7903 2 K 3.6695 8.2501 116.0480 56.3044 30.0259 172.8601 3 K 4.1575 8.6391 123.1802 56.1484 33.8834 175.8838 4 I 4.1770 8.4947 129.0478 61.9914 37.6473 175.4902 5 I 4.4490 8.6001 128.2492 59.7921 38.7015 175.1353 6 E 4.7118 8.6630 126.2710 54.7063 32.0847 174.3303 7 T 4.6620 9.4701 122.6052 61.2749 70.6157 174.0144 8 Q 4.4538 8.5159 122.7361 55.3578 28.8349 177.4986 9 R 4.2692 7.9668 114.7991 57.7930 30.4196 176.1109 10 A 4.8343 7.4359 119.8178 49.0785 22.2474 174.1181 11 P 4.3559 0.0000 0.0000 62.2310 31.9744 177.2215 12 G 3.7278 8.5853 110.9895 45.2238 0.0000 173.0162 13 A 3.7550 8.3803 124.1215 52.3967 18.7284 178.6212 14 I 4.3882 10.7366 128.6623 59.5807 37.5866 175.9056 15 G 3.9101 7.5727 107.6292 43.8089 0.0000 171.7090 16 P 4.6052 0.0000 0.0000 61.2246 29.7751 173.7446 17 Y 4.8536 6.7507 116.8654 56.7841 41.3820 174.8137 18 V 4.4355 8.0097 112.5950 59.2153 35.0658 176.0590 19 Q 4.3703 8.8346 121.4170 59.1282 29.5693 176.8392 20 G 4.5955 7.9468 103.4670 44.9036 0.0000 171.5478 21 V 4.9873 8.9217 119.9380 60.8733 35.2920 173.6604 22 D 5.1913 9.4445 127.8219 52.8657 42.5572 176.3768 23 L 4.4250 9.1391 126.2472 54.4131 41.7036 177.2805 24 G 4.3681 7.8198 114.0098 45.5968 0.0000 175.3415 25 S 4.4828 8.1110 113.5212 59.7723 64.9200 173.5138 26 M 5.3535 8.0531 115.9049 53.0929 35.1808 174.4654 27 V 4.9656 8.9296 119.8142 61.2792 34.5764 174.0601 28 F 5.2754 9.2036 126.7778 56.0353 41.2154 174.8860 29 T 5.0439 8.5353 113.6660 59.8654 70.7193 174.8010 30 S 4.3458 8.9892 120.2183 58.5467 63.9304 174.5854 31 G 3.8775 8.6187 108.8290 46.6345 0.0000 172.6161 32 Q 4.8173 9.4154 125.5047 54.3746 30.5404 175.2499 33 I 4.6657 8.2666 117.9393 57.9020 39.9402 174.6135 34 P 4.6582 0.0000 0.0000 62.3812 30.6274 174.5820 35 V 4.7680 6.8569 123.8934 62.2354 31.3324 174.8796 *37 P 4.5074 0.0000 0.0000 62.3346 33.0404 177.6347 38 Q 4.2257 8.1185 115.7254 57.5654 29.0449 176.5582 39 T 4.3259 7.8492 105.5582 60.4092 70.5533 175.3187 40 G 3.8681 8.3156 108.6494 45.8176 0.0000 172.6677 41 E 4.6036 7.9120 119.2437 54.4244 31.9189 174.8403 42 I 5.0091 8.1464 120.0537 57.8340 38.9619 174.3646 43 P 4.3919 0.0000 0.0000 62.4322 31.8968 176.5608 44 A 4.0805 8.5081 123.6482 54.8721 18.8746 178.3085 45 D 4.6429 7.9061 115.4064 53.6123 43.1444 177.6268 46 V 3.7338 8.3761 126.3258 64.7442 31.5133 178.7133 47 Q 3.9842 8.2767 118.8871 58.8850 28.5376 178.1172 48 D 4.3665 8.0726 119.3293 57.6106 40.9811 178.5982 49 Q 3.9824 8.4327 118.4972 58.9835 28.7424 179.0555 50 A 3.9533 8.3308 121.8222 55.1693 18.5123 179.2253 51 R 3.6858 7.9104 117.1363 59.6648 30.0460 178.0506 52 L 3.8475 7.9611 119.5757 58.4151 42.0127 178.7635 53 S 4.0823 7.9746 114.8670 61.8806 62.8521 176.9867 54 L 3.5207 7.6258 121.0481 57.5859 41.1096 179.3616 55 E 3.9998 8.3597 118.6814 59.6240 28.9844 179.1104 56 N 4.2895 8.6656 116.6457 56.3063 38.5798 177.5123 57 V 3.6139 7.9468 119.6690 66.0196 31.5684 177.9445 58 K 3.9348 8.1685 119.0313 59.4301 32.0077 178.3829 59 A 4.0041 8.3320 121.3274 55.3409 18.1474 179.7849 60 I 3.7278 7.4869 117.0114 64.4247 37.3336 178.8256 61 V 3.6042 7.7890 119.1626 66.0648 31.4017 178.2747 62 V 4.0246 8.4277 119.4138 65.4608 31.1463 177.8184 63 A 4.0557 7.9535 119.3687 54.7077 18.2679 178.5829 64 A 4.3171 7.5368 117.2282 52.6109 18.8227 178.1262 65 G 3.8430 8.1167 105.6295 45.2517 0.0000 173.1278 66 L 4.8257 7.6539 120.1058 52.4821 44.6666 175.0143 67 S 4.8715 8.6608 112.7409 56.4672 66.4736 174.9468 68 V 3.5074 8.5783 119.7756 66.2372 30.8639 177.8680 69 G 3.8397 8.0480 105.2824 47.2998 0.0000 173.2788 70 D 4.6861 8.1211 119.4935 54.1758 41.5629 176.2449 71 I 4.3334 7.9328 122.2533 61.2405 37.5054 175.5687 72 I 4.4497 9.0375 118.7745 60.9781 40.3975 175.4285 73 K 5.0231 7.7951 123.8104 55.2956 35.7389 174.4816 74 M 5.8796 9.1546 126.2243 52.9037 36.2386 174.4539 75 T 4.8048 8.3831 118.0827 61.7216 71.8385 173.1808 76 V 4.2557 8.4632 127.2431 61.3844 33.2744 174.2168 77 F 5.4166 9.1096 128.7360 56.2173 40.5564 175.3840 78 I 5.2403 8.9090 117.2179 59.4552 40.6260 176.0615 79 T 4.5117 8.6450 112.6626 62.3509 70.5302 174.0963 80 D 4.3488 7.7980 122.8538 52.2288 42.7784 175.2650 81 L 4.1921 9.4142 129.2026 57.6761 41.3085 179.1387 82 N 4.4719 8.1669 115.5141 55.8901 38.6149 176.2267 83 D 4.5891 8.5610 120.1956 55.6407 41.0475 177.9850 84 F 4.3609 8.1302 121.9879 61.5995 39.3065 176.7517 85 A 3.7295 8.1023 119.3758 55.4810 18.1734 179.4714 86 T 3.7516 7.8281 113.4044 66.9292 68.5726 176.5981 87 I 3.7240 7.9567 121.7617 64.6034 37.1617 178.1342 88 N 4.0914 8.4714 117.4633 56.1721 38.2979 177.0814 89 E 3.8618 8.0290 120.5123 59.3016 29.7908 178.9858 90 V 3.6551 7.7242 118.2012 66.1103 31.5741 177.2720 91 Y 4.0655 8.4793 119.6274 60.5807 38.6354 177.7525 92 K 4.0155 8.8251 120.8331 59.8546 32.3167 178.3737 93 Q 4.0330 8.3133 119.5993 59.0471 28.5248 177.6141 94 F 3.9872 8.4275 121.8656 61.8048 39.2511 177.4229 95 F 3.6783 8.3307 116.4806 60.3054 38.7034 177.5269 96 D 4.4020 8.7816 119.0486 57.6263 40.5113 178.7363 97 E 3.9474 8.5799 117.5952 58.9346 29.4419 178.1266 98 H 4.4514 7.1734 113.3588 54.2127 29.4812 174.5171 99 Q 3.3706 8.0884 118.9866 56.8791 26.8114 173.2914 100 A 4.7715 7.8561 118.9810 50.3330 21.1920 177.9837 101 T 3.7539 8.1729 118.4391 63.2731 69.2182 174.2463 102 Y 3.9035 7.6057 123.0601 57.2959 38.4242 174.3285 103 P 4.6452 0.0000 0.0000 62.2172 32.6090 176.0572 104 T 4.1926 8.6829 111.7033 62.3931 70.0375 173.3384 105 R 5.6171 8.0708 120.8441 55.9862 33.2066 173.9829 106 S 4.8527 8.5871 120.7064 56.8992 66.5473 172.6279 107 C 5.4047 8.2447 122.4437 57.2475 34.1415 173.3662 108 V 4.4718 8.1565 118.0972 59.5559 36.1209 174.1836 109 Q 4.7918 8.5590 124.8318 55.5040 29.6771 175.8366 110 V 4.1561 8.5871 121.1089 60.3209 33.2131 176.3131 111 A 4.1828 8.5355 123.4254 54.9208 18.7582 177.8230 112 R 4.6437 7.3797 112.1321 55.1906 33.1934 173.6563 113 L 4.8315 8.0395 121.5911 51.7470 45.5835 174.4393 114 P 4.3499 0.0000 0.0000 64.3449 31.6933 176.8719 115 K 3.8332 9.4337 118.4797 56.9109 29.7988 175.0771 116 D 4.4735 8.2639 116.0321 55.3167 38.5868 174.7614 117 V 3.8944 7.3252 111.2297 61.4646 32.2146 176.7012 118 K 4.3709 9.6002 120.9481 57.6956 32.9594 176.7320 119 L 5.1366 7.6516 117.9898 54.7789 43.4056 174.4828 120 E 4.9650 9.4814 120.4835 54.8750 33.6827 173.8641 121 I 5.0630 8.9283 127.0379 59.5964 40.6974 174.4288 122 E 5.1009 8.9958 124.9722 54.7639 32.6734 174.7341 123 A 5.2769 8.7302 121.2432 50.4977 23.5642 174.9593 124 I 4.8148 8.6143 118.8869 59.3537 40.9539 174.7580 125 A 5.2477 8.8073 127.8567 50.1627 22.2310 175.2507 126 V 4.6839 8.4125 113.4700 59.7586 34.1241 176.2953 127 R 3.9980 9.3711 125.8405 59.3329 30.1914 176.7134 128 S 4.3804 7.8693 117.8986 58.6502 63.0672 174.1507 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 4.38 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 K 8.25 3.67 0.00 1.93 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.49 7.81 3 K 8.64 4.16 0.00 1.99 1.73 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.29 7.81 4 I 8.49 4.18 1.88 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 1.35 0.66 0.91 0.00 0.00 5 I 8.60 4.45 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 1.01 0.00 0.00 6 E 8.66 4.71 0.00 1.86 1.78 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 2.17 2.25 0.00 7 T 9.47 4.66 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 1.25 0.00 0.00 8 Q 8.52 4.45 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 9 R 7.97 4.27 0.00 1.83 2.01 0.00 3.07 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 10 A 7.44 4.83 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 11 P 0.00 4.36 0.00 2.11 2.04 0.00 3.73 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 2.06 2.20 0.00 12 G 8.59 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 0.00 0.00 0.00 13 A 8.38 3.76 0.71 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 14 I 10.74 4.39 2.03 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 1.29 0.57 1.01 0.00 0.00 15 G 7.57 3.91 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 0.00 0.00 0.00 16 P 0.00 4.61 0.00 2.24 2.14 0.00 3.92 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 2.08 1.99 0.00 17 Y 6.75 4.85 0.00 3.12 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 18 V 8.01 4.44 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 0.75 0.00 0.00 1.01 0.00 0.00 19 Q 8.83 4.37 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 20 G 7.95 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.92 4.99 2.18 0.00 0.00 0.00 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 0.97 0.00 0.00 22 D 9.44 5.19 0.00 2.74 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 23 L 9.14 4.42 0.00 1.79 1.75 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.82 4.37 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 0.00 25 S 8.11 4.48 0.00 3.93 4.15 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 26 M 8.05 5.35 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 27 V 8.93 4.97 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 1.12 0.00 0.00 0.96 0.00 0.00 28 F 9.20 5.28 0.00 3.08 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 29 T 8.54 5.04 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 30 S 8.99 4.35 0.00 3.94 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 31 G 8.62 3.88 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 0.00 0.00 0.00 32 Q 9.42 4.82 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 33 I 8.27 4.67 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 1.39 0.60 0.90 0.00 0.00 34 P 0.00 4.66 0.00 2.24 2.41 0.00 3.68 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 2.08 2.09 0.00 35 V 6.86 4.77 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 1.12 0.00 0.00 0.94 0.00 0.00 *37 P 0.00 4.51 0.00 2.12 2.15 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 38 Q 8.12 4.23 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.87 0.00 0.00 0.00 0.00 0.00 2.35 1.91 0.00 39 T 7.85 4.33 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 1.22 0.00 0.00 40 G 8.32 3.87 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 0.00 41 E 7.91 4.60 0.00 2.02 1.87 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 2.33 2.39 0.00 42 I 8.15 5.01 1.88 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 1.24 1.58 0.96 0.00 0.00 43 P 0.00 4.39 0.00 2.18 2.06 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 44 A 8.51 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.91 4.64 0.00 2.73 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 46 V 8.38 3.73 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 0.98 0.00 0.00 0.96 0.00 0.00 47 Q 8.28 3.98 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 48 D 8.07 4.37 0.00 2.91 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 49 Q 8.43 3.98 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 50 A 8.33 3.95 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 51 R 7.91 3.69 0.00 2.05 2.13 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 52 L 7.96 3.85 0.00 1.91 1.79 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.97 4.08 0.00 4.02 3.91 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 54 L 7.63 3.52 0.00 1.26 0.13 0.52 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.36 4.00 0.00 2.05 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 0.00 2.51 2.54 0.00 56 N 8.67 4.29 0.00 2.84 3.08 0.00 0.00 6.71 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 57 V 7.95 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 58 K 8.17 3.93 0.00 2.14 2.08 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 59 A 8.33 4.00 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 60 I 7.49 3.73 2.04 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 1.45 1.00 1.01 0.00 0.00 61 V 7.79 3.60 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 1.04 0.00 0.00 1.00 0.00 0.00 62 V 8.43 4.02 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 1.28 0.00 0.00 0.95 0.00 0.00 63 A 7.95 4.06 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 64 A 7.54 4.32 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 65 G 8.12 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.65 4.83 0.00 1.89 1.74 0.93 0.68 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 67 S 8.66 4.87 0.00 3.92 3.91 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 68 V 8.58 3.51 1.79 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 0.48 0.00 0.00 0.47 0.00 0.00 69 G 8.05 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.12 4.69 0.00 2.84 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 71 I 7.93 4.33 2.22 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 1.42 0.64 1.09 0.00 0.00 72 I 9.04 4.45 1.85 0.00 0.00 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 1.06 0.98 0.96 0.00 0.00 73 K 7.80 5.02 0.00 1.83 1.58 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 74 M 9.15 5.88 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 75 T 8.38 4.80 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 0.40 0.00 0.00 76 V 8.46 4.26 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 1.02 0.00 0.00 0.96 0.00 0.00 77 F 9.11 5.42 0.00 3.00 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 78 I 8.91 5.24 1.92 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 1.41 1.31 0.98 0.00 0.00 79 T 8.65 4.51 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 1.22 0.00 0.00 80 D 7.80 4.35 0.00 2.66 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 81 L 9.41 4.19 0.00 1.69 1.65 0.83 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.17 4.47 0.00 2.86 2.92 0.00 0.00 7.01 8.02 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 83 D 8.56 4.59 0.00 2.85 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 84 F 8.13 4.36 0.00 3.12 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 85 A 8.10 3.73 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 86 T 7.83 3.75 4.46 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 1.22 0.00 0.00 87 I 7.96 3.72 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.98 0.00 0.00 88 N 8.47 4.09 0.00 2.48 2.60 0.00 0.00 6.70 7.99 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 89 E 8.03 3.86 0.00 2.07 2.18 0.00 0.00 0.00 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 2.37 0.00 90 V 7.72 3.66 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 1.03 0.00 0.00 0.98 0.00 0.00 91 Y 8.48 4.07 0.00 3.20 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 92 K 8.83 4.02 0.00 1.89 2.00 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.78 1.38 7.81 93 Q 8.31 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.46 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 94 F 8.43 3.99 0.00 3.19 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 95 F 8.33 3.68 0.00 3.51 3.46 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 96 D 8.78 4.40 0.00 2.86 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 97 E 8.58 3.95 0.00 1.95 1.79 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 2.28 2.32 0.00 98 H 7.17 4.45 0.00 2.70 3.15 0.00 6.00 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.09 3.37 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 100 A 7.86 4.77 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 0.00 101 T 8.17 3.75 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 102 Y 7.61 3.90 0.00 2.90 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 0.00 103 P 0.00 4.65 0.00 1.94 1.98 0.00 3.17 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 104 T 8.68 4.19 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 1.20 0.00 0.00 105 R 8.07 5.62 0.00 1.75 1.68 0.00 2.39 0.00 0.00 3.43 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 106 S 8.59 4.85 0.00 3.65 3.61 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 0.00 0.00 0.00 0.00 107 C 8.24 5.40 0.00 2.86 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 0.00 108 V 8.16 4.47 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 0.66 0.00 0.00 1.07 0.00 0.00 109 Q 8.56 4.79 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 110 V 8.59 4.16 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 0.74 0.00 0.00 0.99 0.00 0.00 111 A 8.54 4.18 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 0.00 112 R 7.38 4.64 0.00 1.71 1.72 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 113 L 8.04 4.83 0.00 1.85 1.47 1.04 1.01 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 0.00 114 P 0.00 4.35 0.00 2.13 1.94 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 115 K 9.43 3.83 0.00 1.89 1.89 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.44 7.81 116 D 8.26 4.47 0.00 2.83 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 0.00 117 V 7.33 3.89 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 0.67 0.00 0.00 1.03 0.00 0.00 118 K 9.60 4.37 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.24 7.81 119 L 7.65 5.14 0.00 1.80 1.65 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.48 4.97 0.00 2.05 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 2.35 2.33 0.00 121 I 8.93 5.06 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 1.00 0.00 0.00 122 E 9.00 5.10 0.00 2.16 2.18 0.00 0.00 0.00 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 2.29 0.00 123 A 8.73 5.28 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 0.00 124 I 8.61 4.81 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.79 0.37 0.00 0.00 125 A 8.81 5.25 1.19 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 0.00 0.00 0.00 126 V 8.41 4.68 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 0.64 0.00 0.00 0.92 0.00 0.00 127 R 9.37 4.00 0.00 1.82 1.95 0.00 3.30 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 128 S 7.87 4.38 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.