NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.7490 8.4244 118.1332 52.9733 39.4803 173.6223 -4 L 3.9843 7.7787 121.1591 54.2834 43.3474 173.8737 -3 Y 4.8420 8.2689 125.6059 55.9677 41.5114 174.2409 -2 F 4.5252 6.6114 118.4560 54.9069 40.7698 173.9306 -1 Q 3.6420 8.1708 122.1450 56.8059 28.8793 176.6358 0 G 3.8595 8.5426 111.8603 45.8953 0.0000 172.3403 -3 E 4.6420 8.5689 125.5059 54.6677 33.6114 174.9409 -2 L 4.2452 6.4714 119.9560 52.3069 43.5698 175.7306 -1 V 3.4220 7.8808 121.5450 63.3059 32.3793 176.9358 0 F 4.5195 8.5126 123.3603 58.4953 37.0745 173.2404 6 D 4.8318 8.3637 123.5695 51.5969 42.6694 177.3026 7 K 3.8187 8.5017 119.2958 60.1786 31.8895 178.1048 8 D 4.4911 8.1584 118.4443 57.0847 40.8402 178.7021 9 G 3.8302 8.3036 106.2231 47.9977 0.0000 175.3748 10 L 3.3758 8.3139 123.7131 57.5066 41.9828 179.2096 11 S 4.0688 8.1530 114.8366 61.4902 62.8140 176.1600 12 A 4.0398 8.1968 123.6650 55.7403 17.7794 179.1269 13 Y 4.1318 8.1387 117.6121 60.8407 38.8566 178.2093 14 L 4.1444 8.2708 120.2112 57.8902 41.5277 179.3448 15 E 4.0914 8.2328 117.6605 59.0395 29.3791 178.8248 16 E 4.0187 7.9583 119.0334 59.1173 29.9228 178.4534 17 V 3.7195 7.4787 115.3937 63.1926 33.2057 176.2979 18 F 4.7882 8.0753 116.6816 55.3134 39.9431 172.9622 19 P 4.3969 0.0000 0.0000 66.0664 31.8557 179.6219 20 Q 4.0496 8.3595 117.9107 58.6053 28.3269 181.0577 21 I 4.0041 8.1750 117.6727 63.0083 35.7966 180.0788 22 Q 4.3614 7.5396 118.0681 57.0617 28.0495 180.4762 23 G 4.1021 9.1687 111.7981 44.3656 0.0000 173.8710 24 E 4.0117 8.3363 119.6190 57.4043 30.3166 175.1667 25 F 5.8058 7.6910 115.5058 55.7032 41.3990 175.0205 26 S 4.7666 8.9727 116.7906 56.7002 66.2994 173.6543 27 I 4.1560 8.3766 123.3522 61.2880 36.8143 175.7387 28 D 4.4942 9.2463 128.4857 56.5983 41.4636 176.9865 29 A 4.5805 7.4036 119.1260 50.9024 21.9522 174.5159 30 L 4.8832 8.4438 122.4749 53.1191 44.7191 175.3104 31 A 4.8670 8.9809 127.5408 49.8618 22.4884 176.7188 32 K 4.0825 8.9051 117.9779 59.0419 32.2156 178.5799 33 G 4.4391 8.1363 104.4947 45.3165 0.0000 171.8323 34 E 5.2494 7.9355 117.4434 55.0070 34.6622 174.0272 35 I 5.0424 8.4682 121.1244 59.7918 42.0995 174.2797 36 T 5.3419 8.5085 123.6425 60.8663 72.4393 172.9053 *38 R 4.4956 8.1898 121.3589 56.4299 31.7380 173.5654 39 L 4.8951 9.0112 128.9527 53.6433 43.7777 174.9984 40 N 4.8233 9.4653 127.7016 53.1131 38.8851 175.8871 41 V 3.6466 8.9457 128.0645 64.3682 32.1420 178.6254 42 Q 3.8582 8.3129 121.6208 58.9961 28.8903 177.3857 43 E 3.9488 7.7513 116.1095 57.8111 29.5695 177.0597 44 R 4.2346 7.5744 115.4428 56.5921 31.1585 175.7230 45 H 4.0615 7.6217 114.8388 56.4939 26.9217 175.1009 46 L 4.0990 7.7504 119.8660 54.9380 42.5343 178.3985 47 R 4.1666 8.3483 120.1342 55.2046 30.0221 174.1357 48 P 4.3673 0.0000 0.0000 65.5920 31.4869 176.6739 49 G 4.0093 8.8346 109.5660 46.1099 0.0000 173.4434 50 G 3.9862 7.6270 107.4042 44.3554 0.0000 173.3433 51 T 4.6877 7.8394 109.1429 58.9376 72.0739 173.5751 52 V 3.7595 8.1608 121.7934 62.3773 31.9875 175.9071 53 S 4.3963 8.5064 121.6855 57.6734 63.8706 174.4604 54 G 3.7453 8.4883 110.2156 48.3147 0.0000 173.6164 55 P 4.4854 0.0000 0.0000 65.1909 31.6904 177.8334 56 S 4.7164 7.9641 113.7708 59.0977 62.7430 175.9678 *58 F 4.4235 8.2714 124.0756 58.2507 41.0982 176.4775 59 A 4.1301 8.4965 122.3253 55.3974 18.1248 179.4249 60 L 3.2979 8.2500 118.4758 58.0630 42.2572 179.0402 61 A 3.8617 7.7009 120.2773 54.9767 18.2566 179.0095 62 D 4.1470 7.8368 116.8150 57.3180 41.3673 178.9042 63 V 3.4203 7.4964 119.6989 64.7660 31.2367 178.1492 64 S 3.9464 7.8484 115.7299 61.6935 62.7373 176.9731 65 V 3.5049 7.6839 119.9921 66.0115 31.2561 177.5208 66 Y 3.3717 8.2171 119.3571 60.3885 38.5827 177.8764 67 A 3.7608 8.3051 121.9688 55.1679 18.2465 179.4074 68 L 3.9263 7.6914 117.6237 58.0711 42.3934 179.1438 69 V 3.6060 7.5998 118.3003 65.7874 31.3712 177.8688 70 L 3.8257 7.6814 118.8068 57.9001 41.2544 179.2242 71 A 4.1244 8.0041 119.6325 55.2852 18.1706 178.4554 72 H 4.6166 8.0428 112.9287 57.0189 29.9784 176.5336 73 L 4.4247 8.0400 118.6122 55.3379 42.6991 177.2604 74 G 3.7510 8.4900 105.9937 44.3700 0.0000 172.8516 75 R 3.9515 8.3459 117.9644 59.5858 30.0554 179.2440 76 E 4.2109 8.1690 109.9338 56.8458 29.8787 177.7868 77 A 4.7814 7.6452 123.8483 52.1947 20.7204 178.3004 78 L 4.7735 8.1352 122.1739 51.9397 41.0958 173.0158 79 A 4.6043 8.2271 124.9359 51.7169 19.6901 177.1906 80 V 4.4992 8.8438 122.3137 60.9597 34.4836 175.0040 81 T 3.9578 8.9835 125.3068 64.5609 68.1595 173.8461 82 T 4.4478 8.4870 116.3250 62.5439 70.7917 174.2987 83 N 5.1479 7.7760 117.3822 51.7656 42.4644 173.5749 84 A 4.9412 8.4178 124.5104 50.4215 22.5499 175.5918 85 S 4.7585 9.2040 116.1098 56.5500 66.8182 173.0723 86 L 5.0612 8.3566 120.6209 53.0739 45.5568 175.2858 87 D 4.7907 9.0681 122.8756 52.5266 43.3797 175.3983 88 F 5.0064 8.6206 121.6583 55.9922 41.2646 175.4379 *90 R 4.2235 8.4540 121.6477 56.3893 31.3423 176.3446 91 K 4.1796 8.5269 122.5820 53.6590 32.4346 176.5876 92 P 4.4926 0.0000 0.0000 61.7475 31.9351 175.6684 93 E 4.1307 8.7085 122.1529 55.8402 29.9673 176.5163 94 S 4.2195 8.5764 121.0275 59.2851 63.1668 174.4646 95 G 4.0756 9.1276 114.8937 45.4997 0.0000 172.9194 96 R 4.6983 7.4562 116.6328 53.7509 33.4849 175.1532 97 D 4.6851 8.4435 120.1475 54.4287 42.7092 174.5773 98 L 5.2480 8.4262 121.6561 53.4087 44.8428 174.9157 99 L 5.0678 9.4008 125.8999 52.8781 44.9532 175.4775 100 G 4.2350 8.7782 110.8042 44.8213 0.0000 172.4377 101 Q 4.8976 9.2466 126.9339 54.5196 29.5735 174.8236 102 A 5.1893 8.6825 126.8826 50.6088 21.2009 176.0050 103 R 4.9539 9.0533 116.5299 54.2333 33.2085 173.9542 104 L 4.3349 8.3774 123.6344 54.3329 42.3323 176.0676 105 L 4.4764 8.2696 125.4681 55.4663 44.0186 176.7541 106 K 4.3440 7.1898 117.4528 55.4406 35.6766 174.7330 107 L 4.8112 8.5655 127.9751 53.5139 43.0887 175.3083 108 G 4.2316 8.7674 119.8379 44.6007 0.0000 171.9416 109 R 4.1015 8.8093 117.2620 59.1429 29.7756 173.5987 110 T 4.8236 7.7682 106.4894 60.3493 70.8315 173.5413 111 L 5.3883 7.6538 120.8880 52.8817 46.3880 175.1220 112 A 5.2027 9.1535 123.3728 50.2087 22.5899 175.2332 113 V 4.7050 8.7528 120.5442 61.2412 34.9984 174.6047 114 G 4.6074 8.4931 112.6964 45.0376 0.0000 170.5258 115 D 5.0679 8.9511 119.3607 51.8980 43.7605 173.9147 116 I 4.9245 8.5940 117.4527 59.8504 41.9437 173.0175 117 L 5.0039 8.8330 127.8861 52.8499 44.9878 175.2082 118 L 5.1661 8.5077 122.9506 53.0300 44.5017 175.6029 119 F 5.2046 9.2494 121.4908 55.5233 43.3784 174.4333 120 S 4.8062 8.7779 117.9605 58.1841 63.5280 173.8118 121 E 3.8422 8.7102 126.5983 56.7349 29.8620 176.4158 122 G 3.4487 8.4240 116.2408 46.6494 0.0000 173.2592 *124 E 4.3283 7.8280 114.3924 55.7167 32.5453 178.2729 125 A 4.3329 8.0021 122.8518 50.5991 18.7532 175.3049 126 P 3.9348 0.0000 0.0000 62.7511 31.8553 177.1538 127 V 3.8982 8.1350 116.1068 64.1988 32.1644 176.3931 128 A 4.8714 7.5615 119.9387 50.4865 22.6477 175.4171 129 R 4.9703 8.5770 116.4731 54.6624 32.9788 174.5668 130 S 4.9236 8.8013 113.9429 57.5906 66.6128 172.7096 131 T 5.4060 8.2351 120.2653 60.8265 72.9783 172.7081 *133 T 4.5374 8.1754 116.9972 64.0350 70.1696 173.1431 134 Y 5.0949 9.0077 122.3378 56.2379 42.4375 174.3134 135 S 4.9654 9.5046 118.3019 57.3604 64.3154 172.7660 136 I 4.7302 8.8111 128.3063 59.1117 38.7799 174.2417 137 P 4.5375 0.0000 0.0000 61.4954 32.4329 174.9259 138 P 4.5030 0.0000 0.0000 63.1045 31.4620 175.1872 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 -5 N 8.42 4.75 0.00 2.76 2.91 0.00 0.00 6.88 6.97 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 -4 L 7.78 3.98 0.00 1.75 1.67 0.95 0.72 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 -3 Y 8.27 4.84 0.00 2.89 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 -2 F 6.61 4.53 0.00 2.91 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 -1 Q 8.17 3.64 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 0 G 8.54 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 -3 E 8.57 4.64 0.00 1.92 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 2.33 0.00 -2 L 6.47 4.25 0.00 1.39 1.37 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 -1 V 7.88 3.42 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 0.93 0.00 0.00 0 F 8.51 4.52 0.00 2.94 3.28 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 6 D 8.36 4.83 0.00 2.89 2.84 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 7 K 8.50 3.82 0.00 1.85 1.88 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.56 7.81 8 D 8.16 4.49 0.00 2.76 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 9 G 8.30 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 10 L 8.31 3.38 0.00 1.62 1.80 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.15 4.07 0.00 4.08 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 12 A 8.20 4.04 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.14 4.13 0.00 3.08 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 14 L 8.27 4.14 0.00 1.90 1.75 0.87 1.18 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 15 E 8.23 4.09 0.00 2.10 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 2.39 2.49 0.00 16 E 7.96 4.02 0.00 2.06 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 0.00 2.24 2.30 0.00 17 V 7.48 3.72 1.76 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 0.17 0.00 0.00 0.26 0.00 0.00 18 F 8.08 4.79 0.00 3.27 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 19 P 0.00 4.40 0.00 2.18 2.11 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 20 Q 8.36 4.05 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.11 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 21 I 8.18 4.00 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 1.16 0.54 0.91 0.00 0.00 22 Q 7.54 4.36 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 23 G 9.17 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.34 4.01 0.00 1.73 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 1.47 1.98 0.00 25 F 7.69 5.81 0.00 2.97 2.84 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 26 S 8.97 4.77 0.00 3.84 3.80 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 27 I 8.38 4.16 1.88 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 1.33 0.54 0.99 0.00 0.00 28 D 9.25 4.49 0.00 2.79 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 29 A 7.40 4.58 1.22 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 0.00 0.00 30 L 8.44 4.88 0.00 1.54 1.51 0.91 0.96 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 31 A 8.98 4.87 1.24 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 32 K 8.91 4.08 0.00 1.79 1.93 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 G 8.14 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 0.00 0.00 0.00 0.00 34 E 7.94 5.25 0.00 1.96 1.86 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 2.26 2.31 0.00 35 I 8.47 5.04 1.85 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 1.21 1.72 0.93 0.00 0.00 36 T 8.51 5.34 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 1.23 0.00 0.00 *38 R 8.19 4.50 0.00 2.09 2.03 0.00 3.18 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 39 L 9.01 4.90 0.00 2.02 1.75 1.11 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.47 4.82 0.00 2.80 2.83 0.00 0.00 6.52 5.34 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 41 V 8.95 3.65 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 0.60 0.00 0.00 0.92 0.00 0.00 42 Q 8.31 3.86 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.99 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 43 E 7.75 3.95 0.00 1.91 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 0.00 2.26 2.47 0.00 44 R 7.57 4.23 0.00 1.90 1.92 0.00 3.46 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 45 H 7.62 4.06 0.00 3.24 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.75 4.10 0.00 1.63 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.35 4.17 0.00 1.73 1.85 0.00 3.26 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 48 P 0.00 4.37 0.00 2.03 2.03 0.00 3.80 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 2.03 2.09 0.00 49 G 8.83 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 50 G 7.63 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 51 T 7.84 4.69 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 1.25 0.00 0.00 52 V 8.16 3.76 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 0.89 0.00 0.00 0.95 0.00 0.00 53 S 8.51 4.40 0.00 4.00 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 54 G 8.49 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 55 P 0.00 4.49 0.00 2.22 2.09 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 56 S 7.96 4.72 0.00 4.12 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 *58 F 8.27 4.42 0.00 3.15 3.27 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 59 A 8.50 4.13 1.72 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 60 L 8.25 3.30 0.00 1.92 1.69 0.94 1.24 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 61 A 7.70 3.86 1.11 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 62 D 7.84 4.15 0.00 2.17 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.50 3.42 1.61 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 -0.09 0.00 0.00 0.59 0.00 0.00 64 S 7.85 3.95 0.00 3.95 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 65 V 7.68 3.50 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 66 Y 8.22 3.37 0.00 2.99 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 67 A 8.31 3.76 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 68 L 7.69 3.93 0.00 1.67 1.75 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.60 3.61 1.75 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 0.80 0.00 0.00 0.68 0.00 0.00 70 L 7.68 3.83 0.00 1.63 1.54 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.00 4.12 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 72 H 8.04 4.62 0.00 3.26 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.04 4.42 0.00 1.60 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.49 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 75 R 8.35 3.95 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 76 E 8.17 4.21 0.00 1.99 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 2.23 1.88 0.00 77 A 7.65 4.78 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 78 L 8.14 4.77 0.00 1.64 1.45 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.23 4.60 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 80 V 8.84 4.50 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 1.03 0.00 0.00 1.07 0.00 0.00 81 T 8.98 3.96 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 0.93 0.00 0.00 82 T 8.49 4.45 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 1.25 0.00 0.00 83 N 7.78 5.15 0.00 2.65 2.59 0.00 0.00 6.67 7.96 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 84 A 8.42 4.94 1.24 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 85 S 9.20 4.76 0.00 3.78 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 86 L 8.36 5.06 0.00 1.17 0.69 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.07 4.79 0.00 2.38 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 88 F 8.62 5.01 0.00 2.90 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 *90 R 8.45 4.22 0.00 1.73 1.92 0.00 3.22 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 91 K 8.53 4.18 0.00 1.77 1.60 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 92 P 0.00 4.49 0.00 2.05 2.06 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 93 E 8.71 4.13 0.00 1.92 1.88 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 2.34 2.30 0.00 94 S 8.58 4.22 0.00 3.90 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 95 G 9.13 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 0.00 0.00 0.00 96 R 7.46 4.70 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 97 D 8.44 4.69 0.00 2.63 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 98 L 8.43 5.25 0.00 1.79 1.57 0.98 1.22 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 99 L 9.40 5.07 0.00 1.70 1.61 0.92 0.81 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 0.00 100 G 8.78 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 0.00 101 Q 9.25 4.90 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 102 A 8.68 5.19 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.05 4.95 0.00 1.79 1.99 0.00 2.78 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 104 L 8.38 4.33 0.00 1.34 0.64 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.27 4.48 0.00 1.53 1.60 0.92 1.06 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 0.00 106 K 7.19 4.34 0.00 1.74 1.52 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 107 L 8.57 4.81 0.00 1.48 1.56 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.77 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 0.00 0.00 0.00 0.00 109 R 8.81 4.10 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 110 T 7.77 4.82 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 0.00 111 L 7.65 5.39 0.00 1.57 1.54 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.15 5.20 1.22 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 0.00 0.00 113 V 8.75 4.71 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 1.00 0.00 0.00 0.91 0.00 0.00 114 G 8.49 4.61 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 0.00 0.00 0.00 115 D 8.95 5.07 0.00 2.85 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 0.00 116 I 8.59 4.92 1.81 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 1.17 1.42 0.87 0.00 0.00 117 L 8.83 5.00 0.00 1.68 1.11 0.99 0.23 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 0.00 118 L 8.51 5.17 0.00 1.60 1.49 0.85 0.78 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 0.00 119 F 9.25 5.20 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 0.00 120 S 8.78 4.81 0.00 3.83 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 0.00 121 E 8.71 3.84 0.00 2.03 1.88 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 2.33 2.27 0.00 122 G 8.42 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.33 0.00 2.03 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 0.00 2.13 1.89 0.00 125 A 8.00 4.33 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 0.00 126 P 0.00 3.93 0.00 1.76 1.09 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 127 V 8.14 3.90 2.28 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 0.68 0.00 0.00 0.93 0.00 0.00 128 A 7.56 4.87 1.13 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 0.00 129 R 8.58 4.97 0.00 1.79 1.87 0.00 2.74 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 130 S 8.80 4.92 0.00 3.69 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.24 5.41 4.17 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 1.21 0.00 0.00 *133 T 8.18 4.54 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 1.23 0.00 0.00 134 Y 9.01 5.09 0.00 2.93 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 0.00 135 S 9.50 4.97 0.00 3.89 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 0.00 136 I 8.81 4.73 1.90 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 1.26 1.14 0.94 0.00 0.00 137 P 0.00 4.54 0.00 2.08 2.04 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 138 P 0.00 4.50 0.00 2.17 2.02 0.00 3.82 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 1.91 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.