NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3345 8.3049 120.3474 54.6395 33.4103 174.1912 2 L 3.7961 8.4247 119.7707 54.7671 41.5031 176.7346 3 T 4.2797 9.9333 122.1850 60.8571 71.0498 174.4518 4 A 4.1021 8.2813 122.6932 55.2815 18.5101 179.2653 5 E 3.8889 8.1080 117.3051 59.5841 29.6832 178.4469 6 D 4.4011 8.1323 118.3867 57.4525 40.3704 178.6980 7 K 3.9280 8.0052 121.4776 60.0291 32.0512 180.1594 8 K 4.0948 8.0006 124.0031 59.5122 31.6970 182.2172 9 L 4.2094 7.7597 120.1357 57.7617 41.7296 179.6344 10 I 4.0590 8.1401 113.1178 63.9188 37.3703 177.9195 11 Q 4.0730 7.7697 120.7178 58.7833 28.6921 177.2493 12 Q 4.1802 7.9266 118.8835 57.9170 29.2753 177.1618 13 A 4.2099 8.1609 122.1936 54.5259 18.5216 179.3719 14 W 4.4136 8.5838 127.0390 60.9286 30.6840 177.8989 15 E 3.3873 8.1251 117.1876 59.3804 28.6794 179.2971 16 K 3.9923 7.7305 119.2110 59.2916 32.3827 178.8313 17 A 4.0208 7.6031 120.3711 54.9328 18.2368 179.0095 18 A 3.3642 7.1538 120.4660 54.4720 18.3105 178.2892 19 S 4.5274 6.9741 107.6478 58.7128 63.7460 174.2302 20 H 4.7254 8.0120 118.2783 53.6808 30.2965 175.5324 21 Q 3.9660 8.3940 119.9768 59.4237 28.5002 178.5179 22 E 3.9372 8.0782 119.1564 59.3907 29.6168 178.6418 23 E 3.9727 7.9530 117.8694 59.5293 29.6697 179.1107 24 F 4.6951 8.7455 118.3166 60.5999 38.9779 177.9957 25 G 3.6787 8.8449 105.4787 47.8504 0.0000 175.5885 26 A 4.0710 8.1050 123.6882 54.8401 18.3346 179.3815 27 E 3.8999 8.7517 118.0586 59.0978 29.6658 178.8158 28 A 3.9444 8.2776 121.0578 55.2536 18.4753 179.5923 29 L 3.5636 7.8531 117.3041 58.1306 41.6946 179.8856 30 T 4.0573 8.0747 115.6578 66.8057 68.4030 176.8754 31 R 3.8825 8.2151 120.0928 59.2694 30.0282 178.6687 32 M 4.0481 7.9821 117.9128 58.9305 31.9386 178.2538 33 F 4.5022 7.9791 118.1449 60.9525 38.8081 178.0093 34 T 3.9794 7.9157 114.5583 67.0151 68.4442 176.8278 35 T 3.9719 8.0576 116.6042 64.8996 69.9657 174.8389 36 Y 4.8908 8.1355 118.7141 54.4848 38.1246 173.8862 37 P 4.5456 0.0000 0.0000 65.0546 31.7624 177.5506 38 Q 4.0765 8.4766 115.8843 59.7233 28.1264 179.0066 39 T 4.2429 8.5758 111.4984 64.3419 68.7997 176.5828 40 K 4.1218 8.7199 122.0859 59.7777 31.7651 178.8522 41 T 3.9885 7.6430 115.5119 66.7634 68.3973 175.1598 42 Y 4.0066 8.1678 116.3706 58.3289 39.6381 175.4178 43 F 4.8949 8.3138 119.0960 55.6527 39.1732 174.5663 44 P 4.4299 0.0000 0.0000 65.2896 31.9936 177.7928 45 H 4.6312 8.5508 113.0176 56.6426 29.2642 175.3838 46 F 4.6445 7.7867 118.6421 56.7640 39.8617 174.8507 47 D 4.6828 9.1424 123.4078 53.1214 40.7140 176.2622 48 L 4.4263 8.2259 127.6387 55.1007 42.1034 177.4031 49 S 4.3718 7.7256 115.9291 57.5283 63.4708 173.6595 50 P 4.2727 0.0000 0.0000 65.5846 31.1501 177.2941 51 G 3.9925 7.8602 103.4436 45.1436 0.0000 173.8701 52 S 4.0813 8.2461 115.2253 58.7922 63.7575 175.0859 53 D 4.3718 8.6301 127.9394 57.3571 40.6391 179.0117 54 Q 3.6270 7.7572 118.1693 58.7754 28.6746 178.3212 55 V 3.6872 7.5517 119.0581 66.3429 31.5584 177.7564 56 R 3.9985 8.0845 118.1755 59.6851 29.3556 178.6603 57 G 3.6370 8.3503 105.5237 47.9070 0.0000 175.2667 58 H 4.5301 8.8338 121.1269 59.1991 30.0900 177.2883 59 G 3.8792 8.9348 108.3156 48.1529 0.0000 175.3654 60 K 4.0772 8.2533 121.6372 59.1876 32.1847 179.1607 61 K 4.1036 7.7911 117.9441 59.1576 31.9803 179.4417 62 V 3.5771 8.1415 118.9222 66.2417 31.5926 178.2558 63 L 4.4327 8.3296 118.5901 57.5202 41.4595 179.9094 64 G 3.7285 8.0765 105.7172 47.6641 0.0000 175.6912 65 A 4.0251 8.0880 123.3370 54.9342 18.3433 179.6871 66 L 3.9821 8.0292 117.6472 57.7511 41.6508 179.9358 67 G 2.7924 7.8500 105.5777 47.6579 0.0000 175.3200 68 N 4.3594 8.1144 119.2324 55.8307 38.6528 176.9217 69 A 3.9263 7.6810 121.9641 54.9669 18.5570 179.2993 70 V 3.5130 7.6617 118.3699 66.7342 31.5869 178.5857 71 K 4.0993 7.6879 121.9199 58.7818 31.7663 179.0727 72 N 5.2608 8.0358 117.5354 52.4398 38.9200 176.5884 73 V 3.9481 7.8727 117.4587 63.3665 32.1627 175.9226 74 D 5.0037 8.3426 120.3930 51.0970 39.7313 176.1158 75 N 5.3346 7.7040 128.2474 53.9526 38.6186 175.8991 76 L 3.9376 7.4148 121.4974 58.8652 41.4510 179.3247 77 S 4.1879 8.1398 116.0788 62.1189 62.6820 176.6866 78 Q 4.0839 7.7405 121.7847 58.3559 28.0791 179.3381 79 A 4.6200 7.6335 118.6742 54.8474 20.0679 178.0900 80 M 4.2793 8.2939 115.1804 55.3214 32.2157 177.8336 81 A 3.9764 7.4620 125.7550 56.4876 18.4770 180.5656 82 E 3.9783 8.1659 115.2332 61.3717 29.7512 181.4719 83 L 4.3267 7.8566 119.5898 57.5730 41.7939 179.5801 84 S 4.1430 8.3376 114.6802 61.2585 63.0596 176.0594 85 N 4.1350 8.0017 120.4467 56.2078 38.6821 176.6470 86 L 3.9296 7.8603 121.5744 58.6536 42.2444 178.7205 87 H 4.2076 8.4562 116.0676 59.0960 28.5204 177.2953 88 A 4.3136 8.3000 124.5523 54.4055 17.8874 179.2279 89 Y 4.3625 7.1942 114.2919 61.2549 38.6405 177.9493 90 N 4.5387 8.2913 115.9760 56.3483 38.9104 176.5899 91 L 4.2152 8.2865 116.5139 54.8514 42.5715 176.9679 92 R 4.3509 8.0080 114.9567 56.2945 27.2147 176.9120 93 V 3.8559 8.1030 117.4147 62.3005 32.3485 174.9332 94 D 4.4563 9.0156 127.7813 53.6969 41.8052 175.0824 95 P 4.5693 0.0000 0.0000 65.8908 31.7474 178.4827 96 V 3.6065 8.1808 117.5882 66.1738 31.2394 177.8199 97 N 4.1416 8.2281 116.1940 55.9983 38.2427 177.3441 98 F 4.1967 7.7021 118.9810 60.3602 38.9189 177.7886 99 K 4.0368 7.8876 118.3553 59.2546 31.9307 179.3645 100 L 3.6666 7.5360 118.7997 57.6333 41.4851 179.1897 101 L 3.9766 7.9107 120.1928 58.2216 42.1518 179.0134 102 S 4.1685 8.1771 115.1727 61.7635 62.7048 176.5891 103 Q 4.0515 8.2359 122.1513 59.4247 28.8242 178.0126 104 C 4.1718 8.1123 117.3887 62.8173 28.1891 176.1526 105 I 3.7454 8.1221 121.7239 64.5307 36.6430 178.5518 106 Q 3.8803 8.1020 118.6283 58.7674 28.5222 178.8881 107 V 3.4418 7.8955 119.6105 65.7479 31.4933 178.3061 108 V 3.3598 7.5959 118.1228 65.8259 31.2536 178.0790 109 L 3.4907 7.3818 118.3366 57.4737 41.3511 179.3704 110 A 3.6525 7.4645 120.8278 54.9242 18.0261 179.8546 111 V 3.4088 7.4307 115.9357 65.9107 31.6614 177.2127 112 H 4.6615 7.5409 113.0909 56.5797 29.3933 176.1419 113 M 4.4795 8.2639 119.6505 53.9404 33.4254 177.4648 114 G 4.0749 8.7615 111.5773 46.3640 0.0000 177.3812 115 K 4.0641 8.9626 124.0163 57.6077 31.3411 176.3721 116 D 4.5653 8.3148 116.4774 56.7657 40.6549 176.6850 117 Y 4.4456 8.2916 123.1776 56.5591 37.3319 174.5809 118 T 4.1731 7.4765 115.1293 59.7849 71.7547 173.4911 119 P 4.1582 0.0000 0.0000 66.0614 31.2877 178.7672 120 E 3.9126 7.9981 116.5210 59.4226 29.4764 179.4658 121 V 3.5762 7.2278 117.6245 66.0214 31.4834 177.3086 122 H 3.7317 8.5258 119.4210 58.4904 29.6124 176.9982 123 A 3.9634 8.2939 122.4636 55.1760 18.2186 179.5162 124 A 4.0024 8.1029 119.3533 55.2857 18.3810 179.7015 125 F 3.9979 8.9100 119.7568 61.3631 39.4890 176.9167 126 D 4.4564 8.7711 118.2000 57.1824 40.8946 178.5195 127 K 4.1058 7.9579 120.0422 58.7411 32.0315 178.9434 128 F 4.0563 8.0766 120.8930 61.3989 39.1804 177.1699 129 L 3.5746 8.0499 118.9636 57.6793 41.2932 179.7250 130 S 4.0087 8.0469 114.0186 61.1661 62.9722 176.4861 131 A 3.8320 8.0453 124.6175 54.9445 17.9325 179.7473 132 V 3.2329 7.1880 115.5499 66.1623 31.6407 178.1171 133 S 3.6728 8.1134 114.9688 61.1530 62.3710 176.5545 134 A 3.8245 7.6480 123.6127 55.0720 17.9445 179.7646 135 V 3.4848 7.2296 114.5580 65.1659 31.6324 177.5365 136 L 4.0502 6.9455 117.2911 55.5022 41.7995 176.8035 137 A 4.7359 7.3238 124.3375 52.7086 19.3965 176.9876 *138 E 4.6985 8.0924 112.9326 56.7858 30.7750 178.2875 139 K 4.6078 7.5297 119.3306 56.5875 35.0850 173.2133 140 Y 4.4392 7.5288 124.1961 59.2559 36.2940 170.3688 *141 R 4.1415 8.0216 124.8995 56.8568 30.2085 177.7469 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 4.33 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.14 0.00 2 L 8.42 3.80 0.00 1.76 1.65 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.93 4.28 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 1.36 0.00 0.00 4 A 8.28 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.89 0.00 2.05 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 2.38 2.41 0.00 6 D 8.13 4.40 0.00 2.74 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 7 K 8.01 3.93 0.00 2.04 1.86 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.59 7.81 8 K 8.00 4.09 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 L 7.76 4.21 0.00 1.91 1.80 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.14 4.06 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.95 0.00 0.00 11 Q 7.77 4.07 0.00 2.50 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 12 Q 7.93 4.18 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 13 A 8.16 4.21 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 14 W 8.58 4.41 0.00 3.61 3.33 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 15 E 8.13 3.39 0.00 1.98 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 2.43 2.52 0.00 16 K 7.73 3.99 0.00 1.82 2.02 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 17 A 7.60 4.02 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 18 A 7.15 3.36 0.55 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 19 S 6.97 4.53 0.00 3.66 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 20 H 8.01 4.73 0.00 1.40 2.25 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.39 3.97 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 22 E 8.08 3.94 0.00 2.00 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 2.38 2.42 0.00 23 E 7.95 3.97 0.00 2.03 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 2.35 2.43 0.00 24 F 8.75 4.70 0.00 3.08 3.03 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 25 G 8.84 3.68 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 26 A 8.11 4.07 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 27 E 8.75 3.90 0.00 2.25 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 0.00 2.30 2.35 0.00 28 A 8.28 3.94 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 29 L 7.85 3.56 0.00 1.75 1.60 0.92 0.90 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 30 T 8.07 4.06 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 1.27 0.00 0.00 31 R 8.22 3.88 0.00 2.01 1.92 0.00 3.08 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 32 M 7.98 4.05 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 33 F 7.98 4.50 0.00 3.12 3.03 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 34 T 7.92 3.98 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 1.20 0.00 0.00 35 T 8.06 3.97 3.60 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 0.33 0.00 0.00 36 Y 8.14 4.89 0.00 3.07 2.83 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 37 P 0.00 4.55 0.00 2.22 2.20 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 38 Q 8.48 4.08 0.00 2.33 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 39 T 8.58 4.24 4.50 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 1.31 0.00 0.00 40 K 8.72 4.12 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.33 1.81 7.81 41 T 7.64 3.99 4.35 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 0.95 0.00 0.00 42 Y 8.17 4.01 0.00 2.72 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 43 F 8.31 4.89 0.00 2.75 2.43 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 44 P 0.00 4.43 0.00 2.19 2.17 0.00 3.82 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 1.99 1.89 0.00 45 H 8.55 4.63 0.00 3.43 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.79 4.64 0.00 3.06 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 47 D 9.14 4.68 0.00 2.65 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 48 L 8.23 4.43 0.00 1.52 1.46 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.73 4.37 0.00 3.91 3.77 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 50 P 0.00 4.27 0.00 2.05 2.18 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 51 G 7.86 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 52 S 8.25 4.08 0.00 3.86 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 53 D 8.63 4.37 0.00 2.73 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 54 Q 7.76 3.63 0.00 1.69 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 55 V 7.55 3.69 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 1.12 0.00 0.00 1.11 0.00 0.00 56 R 8.08 4.00 0.00 2.16 2.03 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 57 G 8.35 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 58 H 8.83 4.53 0.00 3.67 3.67 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.93 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 60 K 8.25 4.08 0.00 2.03 2.04 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 61 K 7.79 4.10 0.00 2.15 1.93 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.65 7.81 62 V 8.14 3.58 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 1.09 0.00 0.00 0.88 0.00 0.00 63 L 8.33 4.43 0.00 2.11 2.02 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.08 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 65 A 8.09 4.03 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 66 L 8.03 3.98 0.00 1.93 1.70 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.85 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 0.00 0.00 0.00 68 N 8.11 4.36 0.00 2.80 2.93 0.00 0.00 7.15 8.41 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 69 A 7.68 3.93 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 70 V 7.66 3.51 1.70 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 0.59 0.00 0.00 0.17 0.00 0.00 71 K 7.69 4.10 0.00 1.91 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.39 1.36 7.81 72 N 8.04 5.26 0.00 2.71 3.02 0.00 0.00 6.76 7.76 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 73 V 7.87 3.95 2.27 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 0.73 0.00 0.00 1.05 0.00 0.00 74 D 8.34 5.00 0.00 2.80 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 75 N 7.70 5.33 0.00 2.99 3.10 0.00 0.00 6.10 6.67 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 76 L 7.41 3.94 0.00 1.62 1.65 0.72 0.76 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 77 S 8.14 4.19 0.00 3.99 4.07 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 78 Q 7.74 4.08 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 79 A 7.63 4.62 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 80 M 8.29 4.28 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 81 A 7.46 3.98 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 82 E 8.17 3.98 0.00 1.98 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 2.32 1.98 0.00 83 L 7.86 4.33 0.00 1.82 1.78 0.94 0.95 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 84 S 8.34 4.14 0.00 3.85 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 0.00 85 N 8.00 4.13 0.00 3.12 2.91 0.00 0.00 6.82 6.26 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 86 L 7.86 3.93 0.00 1.98 1.80 0.90 1.06 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 87 H 8.46 4.21 0.00 3.42 3.56 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.30 4.31 0.04 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 0.00 0.00 89 Y 7.19 4.36 0.00 3.20 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 90 N 8.29 4.54 0.00 2.91 2.89 0.00 0.00 6.88 7.85 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 91 L 8.29 4.22 0.00 1.79 1.78 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.01 4.35 0.00 2.06 2.12 0.00 3.61 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 93 V 8.10 3.86 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 -0.13 0.00 0.00 0.88 0.00 0.00 94 D 9.02 4.46 0.00 2.80 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 95 P 0.00 4.57 0.00 2.27 2.25 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 96 V 8.18 3.61 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 0.96 0.00 0.00 1.00 0.00 0.00 97 N 8.23 4.14 0.00 2.37 2.46 0.00 0.00 6.97 8.00 0.00 0.00 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 F 7.70 4.20 0.00 3.20 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 99 K 7.89 4.04 0.00 1.89 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 100 L 7.54 3.67 0.00 1.60 1.17 0.39 -0.16 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 0.00 101 L 7.91 3.98 0.00 1.72 1.68 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.18 4.17 0.00 4.12 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 0.00 103 Q 8.24 4.05 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 104 C 8.11 4.17 0.00 3.22 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 0.00 105 I 8.12 3.75 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.30 1.15 0.00 0.00 106 Q 8.10 3.88 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 107 V 7.90 3.44 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 0.91 0.00 0.00 0.93 0.00 0.00 108 V 7.60 3.36 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 0.46 0.00 0.00 0.93 0.00 0.00 109 L 7.38 3.49 0.00 1.28 0.85 0.65 0.01 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 0.00 110 A 7.46 3.65 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 0.00 111 V 7.43 3.41 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 0.58 0.00 0.00 0.82 0.00 0.00 112 H 7.54 4.66 0.00 2.95 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.26 4.48 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 114 G 8.76 4.07 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 0.00 0.00 0.00 115 K 8.96 4.06 0.00 1.78 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.06 7.81 116 D 8.31 4.57 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 Y 8.29 4.45 0.00 2.90 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 0.00 118 T 7.48 4.17 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 1.23 0.00 0.00 119 P 0.00 4.16 0.00 2.13 2.12 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 120 E 8.00 3.91 0.00 2.02 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 2.39 2.41 0.00 121 V 7.23 3.58 1.95 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 1.03 0.00 0.00 0.91 0.00 0.00 122 H 8.53 3.73 0.00 2.66 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.29 3.96 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 0.00 124 A 8.10 4.00 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 0.00 125 F 8.91 4.00 0.00 3.47 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 0.00 126 D 8.77 4.46 0.00 3.11 2.88 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 0.00 127 K 7.96 4.11 0.00 2.05 1.85 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.54 7.81 128 F 8.08 4.06 0.00 2.92 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 0.00 129 L 8.05 3.57 0.00 1.69 1.65 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.05 4.01 0.00 4.01 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 0.00 131 A 8.05 3.83 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 0.00 132 V 7.19 3.23 1.70 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 0.57 0.00 0.00 0.01 0.00 0.00 133 S 8.11 3.67 0.00 3.89 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 0.00 134 A 7.65 3.82 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 0.00 135 V 7.23 3.48 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 0.80 0.00 0.00 0.87 0.00 0.00 136 L 6.95 4.05 0.00 0.74 1.08 0.70 0.53 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 0.00 137 A 7.32 4.74 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 *138 E 8.09 4.70 0.00 1.98 1.80 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 2.14 1.87 0.00 139 K 7.53 4.61 0.00 1.14 0.74 0.00 1.44 0.00 0.00 1.50 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.40 7.81 140 Y 7.53 4.44 0.00 3.05 3.20 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 *141 R 8.02 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.