NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3382 8.0327 110.9326 61.3382 70.3955 174.1619 3 T 3.7353 8.4343 114.9679 65.0734 67.0619 174.3943 4 S 4.1242 8.8082 117.9207 61.7201 63.3265 175.8655 5 E 4.0137 8.1307 121.1682 59.7510 29.0586 179.2189 6 H 4.4435 8.4835 116.3998 58.8566 28.7109 177.8936 7 I 3.5454 7.6500 121.1896 64.3550 36.9041 178.3341 8 A 3.9504 8.0861 121.3230 55.1225 18.1305 179.5734 9 A 3.9600 8.2727 119.6061 55.2472 18.4381 179.9258 10 L 3.6449 7.9928 118.1503 57.8733 41.6461 179.7863 11 T 3.9397 8.1623 109.8734 64.5745 68.6765 176.6351 12 A 3.9749 8.2385 123.8495 54.7585 18.3410 179.1931 13 L 3.8099 8.0223 118.9626 58.3440 42.0536 179.4232 14 V 3.5586 7.6458 118.0290 65.9049 31.2367 177.5312 15 E 2.8457 7.5919 117.6617 59.2606 29.5297 178.5695 16 T 3.9177 7.7046 114.6233 66.6571 68.5797 175.6256 17 Y 4.4091 7.9837 120.4685 60.7388 38.8944 179.1779 18 V 2.9816 7.1137 113.7618 63.3613 31.3394 175.7717 *20 A 4.0659 7.7786 118.0867 51.9930 20.1165 179.4969 *22 T 4.3508 7.9217 117.1282 65.3717 70.1918 176.3903 23 R 4.1599 7.9840 116.6840 56.2171 30.6547 176.2269 24 G 3.6837 7.7969 105.4901 46.8488 0.0000 175.3791 25 D 4.5375 8.1168 120.5929 52.3783 40.6404 175.1470 26 R 3.7995 8.1769 125.9801 58.6649 30.3798 175.7539 27 P 4.2216 0.0000 0.0000 65.6841 31.3273 178.3367 28 A 3.9843 8.2039 119.1927 55.3086 18.4096 179.7303 29 L 4.2500 8.0341 117.4783 58.1032 41.4416 179.6750 30 E 4.1467 8.4721 118.1763 59.2912 29.4256 179.2587 31 R 4.0875 7.9623 118.0234 58.5890 30.4448 178.2030 32 I 4.0305 7.9701 111.4101 60.3202 38.1687 175.0630 33 F 4.9821 7.5085 119.7968 55.2049 41.1818 175.5968 34 F 4.4464 8.9439 124.4573 57.3038 39.4496 176.6471 35 G 3.7804 9.0559 112.2077 48.6797 0.0000 174.6177 36 K 4.3663 8.0435 115.8784 56.0181 32.4565 176.6027 37 A 4.9202 8.1954 121.7374 51.6881 19.1200 177.4785 38 S 4.8913 8.6074 113.9866 56.3381 66.9855 172.3801 39 E 4.7820 8.6284 122.2565 54.4400 31.9375 174.7547 40 V 4.5704 8.5066 126.9124 60.7525 35.1993 174.7760 41 G 3.1896 7.7742 112.6626 46.4234 0.0000 171.0142 42 H 5.5552 8.4376 116.6040 54.5583 30.7763 175.0838 43 Y 4.6856 9.2427 125.4407 57.6277 41.1266 175.5463 44 E 3.7333 9.4329 124.3799 56.9297 27.0437 172.2879 45 G 4.0210 8.4006 108.1272 46.1015 0.0000 173.9674 46 E 4.4258 7.9187 121.2494 54.7847 30.7401 174.5141 47 L 4.7056 8.5494 127.8349 54.8717 43.2307 175.5609 48 L 4.7327 9.2544 127.4996 53.0557 43.7565 175.3820 49 W 4.4409 9.0455 134.6823 55.6439 31.8653 173.3532 50 N 5.1336 9.0466 124.8644 51.3202 40.2807 175.6207 51 S 4.7838 8.6474 117.6770 57.5054 64.5221 175.0608 52 R 3.8557 8.5816 119.9425 59.5263 29.5665 177.7839 53 D 4.2745 8.1170 117.1729 57.2110 41.0939 177.9154 54 A 3.9556 7.8161 120.0605 55.0762 18.4999 178.9535 55 F 4.1942 8.1616 118.0747 61.6441 39.6471 177.0948 56 I 3.2273 7.8908 119.3804 63.8179 36.7266 178.9280 57 A 4.5574 7.7682 120.8750 52.2641 18.0883 178.9920 *59 C 4.4899 8.0564 120.0238 61.4838 30.1945 176.3753 60 E 3.8657 8.3847 119.2607 59.5303 29.3017 179.0911 61 D 4.2644 8.3434 117.5556 57.1127 40.8534 177.2231 62 A 4.3473 7.4783 118.0493 51.4518 19.1458 176.9842 63 A 4.2240 7.3380 119.9360 52.9828 18.8208 177.3073 64 D 4.6308 8.8045 120.3555 52.3810 43.1905 175.6331 65 A 4.2516 8.7092 129.5034 53.6175 19.0334 177.3022 66 E 4.5490 8.1641 113.5739 57.3732 31.8546 177.0838 67 T 3.9774 8.3095 114.6845 63.5441 68.9417 174.0132 68 D 4.7711 8.4194 125.1115 52.0790 40.8127 174.7638 69 P 4.6188 0.0000 0.0000 62.1068 32.5942 175.9102 70 F 4.6137 8.8289 123.1835 58.1603 40.4869 173.9347 71 W 4.8635 7.1569 120.2443 55.8141 30.7327 173.2192 72 A 4.2465 8.7809 121.4068 50.8448 22.6494 175.3025 73 I 4.5344 8.2076 121.7118 60.5558 37.6864 175.9218 74 S 4.6259 9.0764 124.6725 60.6625 63.8386 174.9075 75 S 4.7307 7.7077 111.6038 57.2842 66.1117 173.9428 76 V 4.6215 8.1940 120.6889 61.5885 34.3537 174.3889 77 S 4.8168 8.6118 122.6236 56.7457 67.0147 173.0735 78 V 4.8869 8.2854 122.1492 61.4050 34.7903 174.7088 79 Q 4.4156 9.0154 126.0576 54.6698 32.0896 176.7388 80 G 3.8219 8.4341 115.3210 47.0113 0.0000 172.6485 81 D 4.6498 8.8977 124.2785 52.3794 39.6332 175.0548 82 I 5.3245 8.0469 113.0878 60.0488 40.9844 174.7901 83 A 5.5907 8.6561 123.7947 50.4069 22.5595 174.5111 *85 L 4.4279 8.4326 112.5903 55.2222 43.8018 175.6025 86 H 5.6405 9.1725 122.8921 54.6197 32.3051 172.7999 87 V 4.9829 9.1514 125.7511 61.2039 34.9199 173.7414 88 E 5.4579 9.3369 127.4286 54.9939 31.8868 174.7202 89 N 5.5932 9.3425 119.8924 52.2683 41.2115 172.8323 90 D 5.5415 8.8792 120.4191 52.9931 41.5604 176.3273 91 W 4.9422 9.0956 130.8571 57.4507 33.7169 174.1941 92 A 3.3480 9.0109 128.3407 53.0037 15.9046 176.1591 93 G 3.4448 7.1540 101.4604 47.4159 0.0000 174.9720 *95 R 4.5824 7.4452 117.4975 56.2217 32.1000 174.8017 96 F 5.5028 9.8630 124.2926 55.8703 43.3800 173.6753 97 D 5.4897 9.0835 121.2377 52.9160 43.0849 174.9633 98 D 5.5353 9.6553 124.0742 52.5403 43.8538 175.2350 99 F 5.6588 9.3343 122.3744 55.8995 41.3042 174.5738 100 L 5.3475 9.0411 124.2186 52.9709 44.7497 176.0892 101 T 4.8489 8.6771 112.6506 60.0256 71.6679 173.2682 102 V 5.0295 8.9271 123.0845 61.2561 35.8182 173.4904 103 L 5.2358 9.0515 127.3969 53.1539 45.3714 175.0382 104 L 3.9714 8.3122 129.1075 54.1710 42.3906 175.4447 105 H 4.6841 8.7565 126.7139 55.4353 32.6340 173.1396 106 E 3.5340 9.6599 127.0487 57.5409 26.8113 175.7107 107 G 3.8875 8.1566 103.4276 45.5767 0.0000 173.4155 108 S 4.7004 7.6021 115.7862 56.0979 66.7097 173.3594 109 W 4.6618 8.8907 124.5378 56.6003 29.5977 175.8649 110 R 4.6097 9.0269 124.2226 54.0199 33.4427 175.0567 111 I 4.1199 8.5267 124.7590 61.5699 37.8943 176.8080 112 V 4.0961 9.0954 127.2960 64.8161 33.1680 175.6420 113 S 4.9768 7.6966 112.7102 56.6369 66.4327 172.7764 114 K 4.9786 8.8608 126.7209 54.7761 35.1482 175.1613 115 V 4.9592 8.9315 120.7440 59.7993 35.1078 174.2828 116 Y 5.4819 8.0140 121.0249 55.6734 41.5686 174.3308 117 R 4.8064 9.0427 115.7488 54.6969 33.4475 173.8338 118 I 4.3674 8.3573 121.8914 59.8762 38.5009 175.9429 119 R 4.1549 8.5455 125.7628 56.4431 29.5272 176.6291 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 2 T 8.03 4.34 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 1.21 0.00 0.00 3 T 8.43 3.74 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 1.23 0.00 0.00 4 S 8.81 4.12 0.00 3.91 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 5 E 8.13 4.01 0.00 2.23 1.99 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 2.33 2.35 0.00 6 H 8.48 4.44 0.00 3.43 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.65 3.55 1.97 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 1.69 0.86 0.87 0.00 0.00 8 A 8.09 3.95 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 9 A 8.27 3.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.64 0.00 1.50 1.39 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.16 3.94 4.32 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 1.27 0.00 0.00 12 A 8.24 3.97 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 13 L 8.02 3.81 0.00 1.82 1.82 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.65 3.56 2.25 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 1.03 0.00 0.00 0.95 0.00 0.00 15 E 7.59 2.85 0.00 1.98 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 2.23 2.26 0.00 16 T 7.70 3.92 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 1.21 0.00 0.00 17 Y 7.98 4.41 0.00 2.74 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 18 V 7.11 2.98 1.06 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 0.52 0.00 0.00 0.48 0.00 0.00 *20 A 7.78 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.35 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 R 7.98 4.16 0.00 1.76 1.95 0.00 3.49 0.00 0.00 3.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 24 G 7.80 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 25 D 8.12 4.54 0.00 2.66 2.55 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 26 R 8.18 3.80 0.00 2.01 1.87 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 27 P 0.00 4.22 0.00 2.19 2.10 0.00 3.83 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 2.11 2.16 0.00 28 A 8.20 3.98 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 8.03 4.25 0.00 1.71 1.82 0.65 1.05 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 30 E 8.47 4.15 0.00 1.94 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 2.38 2.53 0.00 31 R 7.96 4.09 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 32 I 7.97 4.03 1.70 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 1.86 0.83 0.88 0.00 0.00 33 F 7.51 4.98 0.00 3.24 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 F 8.94 4.45 0.00 3.12 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 35 G 9.06 3.78 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 0.00 0.00 0.00 36 K 8.04 4.37 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 37 A 8.20 4.92 1.55 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 38 S 8.61 4.89 0.00 3.35 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 39 E 8.63 4.78 0.00 1.36 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.00 0.00 40 V 8.51 4.57 1.53 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 0.46 0.00 0.00 -0.77 0.00 0.00 41 G 7.77 3.19 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 0.00 42 H 8.44 5.56 0.00 3.05 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.24 4.69 0.00 3.19 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 44 E 9.43 3.73 0.00 2.17 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 2.13 1.85 0.00 45 G 8.40 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.92 4.43 0.00 2.11 2.19 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 2.39 2.33 0.00 47 L 8.55 4.71 0.00 1.80 1.68 1.03 1.12 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 48 L 9.25 4.73 0.00 1.97 1.72 1.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 W 9.05 4.44 0.00 3.50 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 50 N 9.05 5.13 0.00 2.77 2.82 0.00 0.00 6.61 7.91 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 51 S 8.65 4.78 0.00 4.07 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 52 R 8.58 3.86 0.00 1.94 2.02 0.00 3.33 0.00 0.00 3.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 53 D 8.12 4.27 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 54 A 7.82 3.96 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 55 F 8.16 4.19 0.00 2.69 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 56 I 7.89 3.23 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.76 0.00 0.00 57 A 7.77 4.56 1.34 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 0.00 0.00 *59 C 8.06 4.49 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.38 3.87 0.00 2.13 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 2.40 2.34 0.00 61 D 8.34 4.26 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.48 4.35 1.16 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 0.00 0.00 63 A 7.34 4.22 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 64 D 8.80 4.63 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.25 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 66 E 8.16 4.55 0.00 1.91 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 2.20 2.34 0.00 67 T 8.31 3.98 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 68 D 8.42 4.77 0.00 2.71 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 69 P 0.00 4.62 0.00 2.32 2.13 0.00 3.87 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 2.12 1.97 0.00 70 F 8.83 4.61 0.00 3.26 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 71 W 7.16 4.86 0.00 3.41 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 72 A 8.78 4.25 1.08 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 73 I 8.21 4.53 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.95 0.00 0.00 74 S 9.08 4.63 0.00 3.54 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 75 S 7.71 4.73 0.00 3.86 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 76 V 8.19 4.62 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 0.68 0.00 0.00 0.89 0.00 0.00 77 S 8.61 4.82 0.00 3.71 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 78 V 8.29 4.89 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 0.93 0.00 0.00 0.76 0.00 0.00 79 Q 9.02 4.42 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 80 G 8.43 3.82 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 0.00 0.00 0.00 81 D 8.90 4.65 0.00 2.66 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 82 I 8.05 5.32 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 1.34 0.78 0.95 0.00 0.00 83 A 8.66 5.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 L 8.43 4.43 0.00 1.61 1.64 0.76 0.74 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 86 H 9.17 5.64 0.00 3.41 3.26 0.00 5.54 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.15 4.98 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 1.21 0.00 0.00 1.03 0.00 0.00 88 E 9.34 5.46 0.00 2.13 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 2.56 2.29 0.00 89 N 9.34 5.59 0.00 2.94 3.01 0.00 0.00 6.62 7.69 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 90 D 8.88 5.54 0.00 2.87 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 91 W 9.10 4.94 0.00 3.16 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 92 A 9.01 3.35 0.08 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 93 G 7.15 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 *95 R 7.45 4.58 0.00 2.00 1.85 0.00 3.42 0.00 0.00 3.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 96 F 9.86 5.50 0.00 3.17 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 97 D 9.08 5.49 0.00 2.51 2.38 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 98 D 9.66 5.54 0.00 2.78 2.64 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 99 F 9.33 5.66 0.00 2.88 2.64 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 0.00 100 L 9.04 5.35 0.00 1.32 1.35 0.93 0.32 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 0.00 101 T 8.68 4.85 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 1.18 0.00 0.00 102 V 8.93 5.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.82 0.00 0.00 103 L 9.05 5.24 0.00 1.90 1.76 1.00 0.38 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 0.00 104 L 8.31 3.97 0.00 0.27 0.67 0.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.76 4.68 0.00 3.30 3.20 0.00 5.98 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.66 3.53 0.00 1.95 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 1.73 2.04 0.00 107 G 8.16 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.60 4.70 0.00 3.66 3.65 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 0.00 109 W 8.89 4.66 0.00 3.13 3.10 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 0.00 110 R 9.03 4.61 0.00 0.67 0.82 0.00 2.84 0.00 0.00 2.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 111 I 8.53 4.12 0.83 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.19 0.68 0.00 0.00 112 V 9.10 4.10 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 0.91 0.00 0.00 1.06 0.00 0.00 113 S 7.70 4.98 0.00 3.90 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 0.00 114 K 8.86 4.98 0.00 1.79 1.56 0.00 1.50 0.00 0.00 1.18 0.00 0.00 2.73 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.35 7.81 115 V 8.93 4.96 1.97 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 0.55 0.00 0.00 1.04 0.00 0.00 116 Y 8.01 5.48 0.00 3.20 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 0.00 117 R 9.04 4.81 0.00 1.91 1.95 0.00 2.81 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 118 I 8.36 4.37 1.86 0.00 0.00 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 0.45 0.77 0.69 0.00 0.00 119 R 8.55 4.15 0.00 1.65 1.82 0.00 3.22 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.