NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9225 8.0932 114.8287 57.8351 64.6843 173.8536 2 V 3.5388 8.1317 113.0507 63.9436 31.0130 173.7412 3 V 3.5802 8.2510 118.1507 66.2554 31.8415 177.7457 4 E 4.0503 7.9390 117.7286 59.0874 29.2234 178.9384 5 L 4.1382 8.2336 120.6344 58.2553 42.2241 179.3444 6 G 3.6384 8.2584 105.6333 47.5389 0.0000 175.4411 7 K 3.9754 8.1685 122.0264 59.6427 32.1561 178.7626 8 M 4.0880 8.2757 118.7935 58.4679 31.8711 178.7018 9 I 3.6277 7.9191 119.9769 64.5441 37.3175 178.4909 10 I 4.0640 8.1346 122.1405 64.1329 36.7374 178.6244 11 Q 4.0501 8.0844 117.5781 58.7616 28.5662 178.1279 12 E 4.2285 8.4309 119.3170 58.3296 29.8889 178.0457 13 T 4.4559 8.4493 108.0723 60.8289 70.7276 175.7206 14 G 3.7941 8.0665 109.6157 45.5666 0.0000 173.0311 *16 K 4.6240 7.4276 117.6101 56.3783 32.9831 174.8244 17 S 4.7757 8.1012 116.9808 56.5885 64.6202 173.5212 18 P 4.4767 0.0000 0.0000 65.1391 31.3152 175.9500 19 F 5.0722 8.2349 119.4311 55.9849 40.5098 172.9580 20 P 4.4072 0.0000 0.0000 61.5501 31.5335 176.2644 21 S 4.3031 7.4077 115.3219 60.9406 62.7722 174.6617 22 Y 4.9901 8.4133 115.2103 57.4549 39.6003 177.3360 23 T 4.2716 8.1166 110.5226 64.0602 69.0561 175.8024 24 S 4.7728 7.8618 113.8089 58.0583 64.4632 173.1284 25 Y 4.2301 8.0642 121.8100 59.3807 39.8456 176.2818 26 G 3.4399 7.5996 116.0792 47.3868 0.0000 174.1546 27 C 4.5256 8.9920 116.1162 57.2316 36.7083 174.9582 28 F 4.5071 8.9275 117.1861 57.6131 40.4880 175.0027 29 C 4.6961 8.1591 118.8452 58.0234 40.2983 174.2836 30 G 4.2394 7.8936 112.0723 46.0668 0.0000 172.2439 31 G 4.2829 8.0749 104.1934 43.1052 0.0000 172.1776 32 G 3.9892 7.6939 105.0960 44.3094 0.0000 173.6702 33 E 4.8965 8.5928 119.9574 55.5232 32.7387 175.3231 34 R 4.7285 7.9438 119.9905 55.1046 31.2460 176.0392 35 G 4.6780 8.8818 114.6286 45.2285 0.0000 170.5770 36 P 5.2153 0.0000 0.0000 61.2614 32.6273 174.3839 37 P 4.8604 0.0000 0.0000 62.6128 31.7419 177.2300 38 L 3.8879 8.7568 122.4827 57.5213 41.9832 176.4164 39 D 4.5132 7.4044 115.2169 51.6546 41.7932 175.2603 40 A 3.9861 8.6653 119.6292 55.9501 18.0802 179.9389 41 T 3.7229 7.9555 113.7299 66.9244 68.6173 176.2222 42 D 4.5175 8.7418 119.8612 57.4121 41.1484 178.4895 43 R 3.8534 7.9381 118.7076 59.0276 29.9941 178.2186 44 C 4.2112 8.0290 116.6471 60.2031 40.9147 175.5220 45 C 4.1927 7.9821 118.1560 59.6050 40.3298 175.7822 46 L 3.6803 7.7068 121.8001 58.1464 41.6172 178.9991 47 A 3.9273 8.0073 120.6800 55.2305 18.1583 179.1607 48 H 3.9618 7.9940 116.8868 59.5424 29.9117 177.8076 49 S 3.9891 8.2021 117.1756 61.5556 62.4010 175.8039 50 C 4.2596 8.0288 120.5539 59.5670 44.7723 174.6349 51 C 4.3856 8.1212 120.0679 60.0974 44.3680 175.1217 52 Y 4.1783 8.1357 118.3646 61.3607 37.1966 178.4451 53 D 4.5856 8.2545 118.8168 56.4027 40.8921 177.5637 54 T 4.4788 7.6418 109.3379 61.0857 70.3246 175.0279 55 L 4.6544 7.8143 120.8955 53.7326 42.0084 176.0254 *59 P 4.3761 0.0000 0.0000 62.5567 33.4517 177.2316 60 D 4.6565 8.0266 116.1110 53.3112 39.9621 175.7794 61 C 4.8680 7.7919 117.2964 55.4940 43.2916 173.3364 *67 S 4.8266 7.9573 112.9262 57.2713 62.0626 171.5997 68 P 3.8961 0.0000 0.0000 65.0912 31.7171 178.5828 69 K 4.2645 7.8887 115.9939 57.7616 32.4505 178.0369 70 T 4.4784 7.6508 106.1857 61.2252 70.5079 173.7045 71 D 4.5394 8.2731 123.5527 53.6525 40.9657 176.6654 72 R 4.2903 8.4143 123.6984 56.3672 30.9564 174.8954 73 Y 4.8488 7.6322 116.6423 56.1775 41.0909 173.6832 74 K 4.9161 8.5448 119.6046 55.6676 35.4201 174.5164 75 Y 5.4585 8.1134 118.8186 56.1862 41.1884 173.0944 76 K 4.6423 9.3452 119.3656 55.3858 37.1581 174.6371 77 R 5.6878 8.8520 119.1819 53.6622 32.5474 173.9978 78 E 4.6037 8.7041 124.9200 55.4400 31.4986 175.9127 79 N 4.4326 9.7674 121.1319 54.2994 36.0967 175.5897 80 G 4.0469 8.4945 107.0221 45.5222 0.0000 174.1434 81 E 4.3561 7.6673 120.2453 54.9271 30.6686 175.0499 82 I 4.3710 8.2220 126.0540 61.4266 37.9726 175.3129 83 I 4.4627 9.1356 128.8353 59.4475 39.7042 174.4262 84 C 4.8429 8.8482 125.7588 57.0951 40.0605 173.8765 85 E 4.1072 9.0096 123.8001 57.5982 29.9926 177.1955 86 N 4.5345 8.1192 117.7545 52.9448 39.5277 175.8267 *88 S 5.0107 8.3101 114.0448 58.6238 65.1747 175.1978 89 T 3.8262 8.0044 117.7076 64.9937 69.1162 173.4144 90 S 3.6468 9.0001 117.0262 62.4442 62.4568 176.5327 91 C 4.1387 8.3245 117.4258 60.2946 34.7368 176.2229 92 K 3.9136 8.0532 119.1746 59.4390 31.6820 179.1625 93 K 3.8785 8.1802 119.7464 59.3881 32.1538 179.0918 94 R 3.8149 7.9493 118.2446 59.4161 30.0607 178.9773 95 I 3.6527 7.7551 119.6388 64.5967 36.9881 177.6291 96 C 3.2928 7.3326 118.5532 59.4330 37.8265 175.5610 97 E 3.7430 7.9355 120.1215 59.4514 28.8443 178.7309 98 C 4.3635 8.1437 116.7755 60.0397 38.9243 175.8833 99 D 4.3180 8.3181 120.6290 57.0635 40.4808 178.5706 100 K 3.7451 8.2746 120.3040 59.4016 32.1338 178.6256 101 A 3.9494 7.8188 120.8390 55.1822 18.2567 180.0515 102 V 3.4608 7.5651 117.3274 64.5110 31.5758 178.4346 103 A 3.7766 8.1554 121.8280 55.0685 18.2044 179.8539 104 V 3.5087 7.7297 116.6695 65.9960 31.6050 177.4038 105 C 4.1696 8.0973 118.3376 59.7397 43.3100 175.5273 106 L 3.7732 7.6701 119.2775 57.6009 41.3825 179.3719 107 R 3.9934 7.7449 118.0784 59.5426 29.9245 178.7382 108 K 4.0163 8.0408 116.8383 58.6303 32.2467 177.5053 109 N 4.9296 7.7647 114.5791 52.7348 39.2214 176.2278 110 L 4.0410 7.9217 123.9735 58.1906 42.1592 178.5427 111 N 4.5460 8.2433 115.4020 55.4192 38.9708 174.8479 112 T 4.5294 7.6465 106.0567 61.4549 69.5321 173.7028 113 Y 4.0444 7.9775 124.8623 58.3650 39.2386 174.3560 114 N 4.9638 9.0078 125.9885 51.3467 40.5439 175.4309 115 K 4.0835 8.5011 124.7905 58.6334 32.3819 178.8956 116 K 4.1247 8.5171 117.2575 58.1354 32.1462 177.1093 117 Y 4.6563 7.4424 116.1659 58.1212 38.7141 177.6110 118 T 3.6840 7.2047 117.8492 66.2874 68.5707 175.2425 119 Y 4.5392 7.3850 117.0028 57.1666 38.8100 175.3074 120 Y 3.9120 8.0679 120.9548 56.9403 39.5943 173.8667 121 P 3.6693 0.0000 0.0000 62.4437 31.8003 177.2690 122 N 4.1732 8.3102 120.4823 55.9929 38.7205 176.6417 *124 F 4.8155 7.8724 110.4082 56.1118 39.4307 175.1371 125 W 4.6750 7.3809 119.9505 57.1030 29.1906 175.6666 126 C 4.8087 7.9580 117.4609 55.7639 39.0424 173.0973 127 K 4.7091 8.4829 124.0363 55.8960 33.4526 177.8105 128 G 4.1107 8.2963 111.1828 46.6266 0.0000 173.4074 129 D 5.0384 8.6772 122.5192 53.2263 43.4700 175.4016 130 I 5.0595 8.0036 113.3434 59.9824 37.8711 176.4189 131 E 3.9876 9.1963 126.2645 57.2035 29.9371 177.5680 132 K 4.2670 8.8520 123.7165 55.8966 31.7532 175.8396 133 C 4.5479 7.6928 120.5172 57.3022 44.5682 173.0036 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 S 8.09 4.92 0.00 4.23 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 0.00 2 V 8.13 3.54 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 0.88 0.00 0.00 0.95 0.00 0.00 3 V 8.25 3.58 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 1.00 0.00 0.00 0.91 0.00 0.00 4 E 7.94 4.05 0.00 1.58 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 1.70 2.18 0.00 5 L 8.23 4.14 0.00 2.13 1.93 0.89 0.95 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 6 G 8.26 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 7 K 8.17 3.98 0.00 2.05 2.20 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.56 7.81 8 M 8.28 4.09 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.09 0.00 9 I 7.92 3.63 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.81 1.01 0.00 0.00 10 I 8.13 4.06 2.09 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 1.69 1.80 0.94 0.00 0.00 11 Q 8.08 4.05 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.80 0.00 12 E 8.43 4.23 0.00 1.88 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 2.48 2.40 0.00 13 T 8.45 4.46 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 1.18 0.00 0.00 14 G 8.07 3.79 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 0.00 0.00 0.00 *16 K 7.43 4.62 0.00 1.89 1.60 0.00 1.41 0.00 0.00 0.90 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 17 S 8.10 4.78 0.00 4.06 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 18 P 0.00 4.48 0.00 2.32 2.27 0.00 3.67 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 2.22 2.21 0.00 19 F 8.23 5.07 0.00 3.01 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 20 P 0.00 4.41 0.00 1.87 0.99 0.00 3.24 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 21 S 7.41 4.30 0.00 3.79 3.17 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 22 Y 8.41 4.99 0.00 2.97 2.89 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 23 T 8.12 4.27 4.48 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 1.47 0.00 0.00 24 S 7.86 4.77 0.00 4.00 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 25 Y 8.06 4.23 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 26 G 7.60 3.44 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 0.00 0.00 0.00 0.00 27 C 8.99 4.53 0.00 2.88 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 28 F 8.93 4.51 0.00 3.33 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 29 C 8.16 4.70 0.00 3.37 3.50 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 30 G 7.89 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 0.00 0.00 0.00 0.00 31 G 8.07 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 0.00 0.00 0.00 0.00 32 G 7.69 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 33 E 8.59 4.90 0.00 1.98 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 2.34 2.41 0.00 34 R 7.94 4.73 0.00 1.77 1.81 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 35 G 8.88 4.68 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 0.00 0.00 0.00 36 P 0.00 5.22 0.00 2.22 2.11 0.00 3.80 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 1.98 1.99 0.00 37 P 0.00 4.86 0.00 2.05 2.04 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 38 L 8.76 3.89 0.00 0.93 0.57 -0.96 0.52 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 39 D 7.40 4.51 0.00 2.96 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 40 A 8.67 3.99 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 41 T 7.96 3.72 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 0.69 0.00 0.00 42 D 8.74 4.52 0.00 3.10 2.87 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 43 R 7.94 3.85 0.00 2.03 1.86 0.00 3.14 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 44 C 8.03 4.21 0.00 3.07 2.99 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 45 C 7.98 4.19 0.00 3.19 3.34 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 46 L 7.71 3.68 0.00 0.74 1.50 0.32 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.01 3.93 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 48 H 7.99 3.96 0.00 3.23 3.32 0.00 5.79 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 49 S 8.20 3.99 0.00 3.94 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 50 C 8.03 4.26 0.00 2.99 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 51 C 8.12 4.39 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 52 Y 8.14 4.18 0.00 3.12 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 53 D 8.25 4.59 0.00 2.91 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 54 T 7.64 4.48 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 1.28 0.00 0.00 55 L 7.81 4.65 0.00 1.97 1.56 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *59 P 0.00 4.38 0.00 2.20 2.23 0.00 3.85 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 1.88 1.96 0.00 60 D 8.03 4.66 0.00 2.77 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 61 C 7.79 4.87 0.00 2.99 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 *67 S 7.96 4.83 0.00 3.85 3.90 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 68 P 0.00 3.90 0.00 1.30 0.49 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 69 K 7.89 4.26 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.96 0.00 0.00 3.22 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.46 7.81 70 T 7.65 4.48 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 71 D 8.27 4.54 0.00 2.76 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 72 R 8.41 4.29 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 73 Y 7.63 4.85 0.00 3.00 2.93 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 0.00 0.00 0.00 74 K 8.54 4.92 0.00 2.00 1.97 0.00 1.55 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.49 7.81 75 Y 8.11 5.46 0.00 3.13 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 76 K 9.35 4.64 0.00 1.79 2.02 0.00 1.27 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.42 7.81 77 R 8.85 5.69 0.00 1.92 1.89 0.00 3.06 0.00 0.00 3.97 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 78 E 8.70 4.60 0.00 2.17 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 2.28 2.30 0.00 79 N 9.77 4.43 0.00 2.88 2.94 0.00 0.00 7.20 7.65 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 80 G 8.49 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 81 E 7.67 4.36 0.00 2.05 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 0.00 2.27 2.27 0.00 82 I 8.22 4.37 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.65 0.00 0.00 83 I 9.14 4.46 1.95 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 1.47 1.22 0.95 0.00 0.00 84 C 8.85 4.84 0.00 2.95 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 85 E 9.01 4.11 0.00 1.95 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 0.00 2.37 2.55 0.00 86 N 8.12 4.53 0.00 2.79 2.78 0.00 0.00 6.86 7.67 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 *88 S 8.31 5.01 0.00 4.00 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 89 T 8.00 3.83 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 1.22 0.00 0.00 90 S 9.00 3.65 0.00 3.88 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 91 C 8.32 4.14 0.00 3.00 3.12 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 92 K 8.05 3.91 0.00 1.99 1.97 0.00 1.71 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.93 1.56 7.81 93 K 8.18 3.88 0.00 1.88 1.92 0.00 1.48 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 R 7.95 3.81 0.00 1.99 1.92 0.00 3.17 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 1.62 1.80 0.00 95 I 7.76 3.65 1.72 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 1.22 0.78 0.99 0.00 0.00 96 C 7.33 3.29 0.00 1.82 2.89 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 97 E 7.94 3.74 0.00 2.14 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 2.46 2.44 0.00 98 C 8.14 4.36 0.00 3.36 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 99 D 8.32 4.32 0.00 2.87 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 0.00 100 K 8.27 3.75 0.00 1.72 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.37 7.81 101 A 7.82 3.95 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 0.00 102 V 7.57 3.46 1.83 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 0.43 0.00 0.00 0.70 0.00 0.00 103 A 8.16 3.78 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 0.00 104 V 7.73 3.51 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 0.94 0.00 0.00 105 C 8.10 4.17 0.00 3.12 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 0.00 106 L 7.67 3.77 0.00 1.53 1.41 -0.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.74 3.99 0.00 1.85 2.10 0.00 3.09 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 108 K 8.04 4.02 0.00 1.90 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.61 7.81 109 N 7.76 4.93 0.00 2.75 2.80 0.00 0.00 6.51 6.62 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 0.00 110 L 7.92 4.04 0.00 2.07 1.69 0.91 0.38 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 0.00 111 N 8.24 4.55 0.00 2.72 2.85 0.00 0.00 6.80 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 0.00 112 T 7.65 4.53 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 1.25 0.00 0.00 113 Y 7.98 4.04 0.00 3.19 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 0.00 114 N 9.01 4.96 0.00 2.47 2.03 0.00 0.00 6.81 6.84 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 0.00 115 K 8.50 4.08 0.00 1.87 1.89 0.00 2.04 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.58 7.81 116 K 8.52 4.12 0.00 1.53 1.73 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.47 7.81 117 Y 7.44 4.66 0.00 1.98 1.73 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 0.00 118 T 7.20 3.68 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 0.56 0.00 0.00 119 Y 7.38 4.54 0.00 2.88 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 0.00 120 Y 8.07 3.91 0.00 2.88 2.94 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 0.00 0.00 0.00 0.00 121 P 0.00 3.67 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.11 0.00 122 N 8.31 4.17 0.00 2.75 2.85 0.00 0.00 6.86 8.13 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 *124 F 7.87 4.82 0.00 3.22 3.21 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 0.00 125 W 7.38 4.67 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 0.00 126 C 7.96 4.81 0.00 3.08 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 0.00 127 K 8.48 4.71 0.00 1.73 1.79 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.48 7.81 128 G 8.30 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.68 5.04 0.00 2.65 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 0.00 130 I 8.00 5.06 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.96 0.00 0.00 131 E 9.20 3.99 0.00 1.88 1.91 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 2.56 1.96 0.00 132 K 8.85 4.27 0.00 1.90 1.95 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.42 7.81 133 C 7.69 4.55 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.