NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 3.8406 8.2644 123.3297 51.2690 19.5743 176.1406 3 D 4.2974 8.4818 114.5768 53.5256 41.0008 176.6184 4 K 3.9563 9.4847 125.4640 59.2747 33.8970 177.5325 5 E 4.4366 8.3956 117.2818 55.4686 29.7330 175.6187 6 L 3.7649 7.6462 120.9569 55.6314 42.4981 176.2855 7 K 4.5718 8.6987 127.5566 56.1599 33.1378 175.3302 8 F 5.3918 9.5495 127.0174 55.9619 41.9279 174.8236 9 L 5.2395 9.0613 123.6452 53.5545 44.7089 175.2558 10 V 4.7050 9.1982 127.9887 61.5968 33.2264 174.5196 11 V 4.8956 8.8464 129.0915 61.3653 33.8772 173.7959 12 D 4.9189 8.6296 125.6513 53.1663 44.5034 176.5593 13 K 4.1073 8.6435 122.9601 58.2667 33.0252 176.8448 14 F 5.0681 8.4507 119.5243 55.7372 40.2281 175.3490 15 S 4.3122 9.1997 120.9137 62.0321 62.4347 177.2550 16 T 4.0230 7.9621 113.0118 64.4835 67.8011 175.9916 *18 R 4.3359 8.0663 123.0893 56.3597 32.2919 177.9347 19 R 3.9005 8.1346 117.4821 59.4140 29.9043 178.4946 20 I 3.6281 7.8176 119.5428 64.4543 37.0772 178.3719 21 V 3.6259 7.7765 118.3202 66.2355 31.3687 177.8297 22 R 3.8641 8.3418 118.5758 59.6448 29.8773 178.2835 23 N 4.4264 8.3345 116.3197 56.0282 38.3682 177.5339 24 L 4.0099 8.2666 121.0687 57.7019 41.7020 179.3770 25 L 3.9415 8.1623 119.2351 57.6976 41.5347 179.4672 26 K 4.1324 7.9201 120.8346 59.0734 31.8847 178.7174 27 E 4.0459 7.9471 117.8755 58.7899 29.4397 178.3373 28 L 4.3708 7.4273 116.9615 54.8400 42.1069 177.5963 29 G 3.6157 8.0079 107.8000 44.9552 0.0000 173.7748 30 F 4.8117 8.0915 119.6611 56.3762 38.3124 175.8402 31 N 4.7330 8.0738 120.4800 53.9268 39.5823 176.0035 32 N 4.7773 8.0159 118.0153 52.2892 38.1334 172.4464 33 V 5.0721 8.0290 121.5132 60.5819 34.7763 173.8457 34 E 5.0352 9.6145 126.4199 54.6919 33.2760 174.6738 35 E 5.3973 8.8106 119.6262 54.9056 33.3827 175.2516 36 A 5.0275 8.7576 122.5447 50.8010 22.4311 176.8148 37 E 4.8982 9.7955 117.5682 55.9086 30.8031 175.0895 38 D 4.4654 7.4396 118.8530 51.5222 43.1837 176.1225 39 G 3.5582 8.4269 105.9264 47.7885 0.0000 176.0426 40 V 3.5196 7.7026 119.8875 65.8954 31.7766 177.2740 41 D 4.2726 8.9704 117.9014 57.3215 40.9243 178.1211 42 A 3.8819 8.2320 121.3339 55.3393 18.4624 179.6369 43 L 3.9036 7.9082 117.3324 57.9153 41.3920 179.5261 44 N 4.3254 8.1413 115.9268 56.2267 38.7975 177.3412 45 K 4.1457 7.9513 119.7414 59.5356 32.2012 179.4933 46 L 3.7126 8.0284 119.5724 57.6571 41.2114 179.3415 47 Q 3.9984 8.0389 118.5280 58.8291 29.0035 177.7847 48 A 4.2047 7.8936 120.6474 52.2539 18.5982 178.2226 49 G 3.8631 8.0292 104.3865 45.9077 0.0000 174.1430 50 G 3.8942 8.7102 105.8385 45.3556 0.0000 173.7577 51 Y 4.0765 7.8409 117.1232 58.0038 38.4381 175.5629 52 G 4.1795 8.9202 108.6290 45.8504 0.0000 172.4690 53 F 4.5563 7.6578 120.6210 57.0589 43.0119 172.5929 54 V 5.0548 8.4316 124.4477 61.2138 34.9293 174.0391 55 I 5.1481 9.1675 128.7614 59.7758 39.5094 174.4869 56 S 5.1747 9.0381 122.1089 56.2895 64.9247 173.2523 57 D 4.7356 8.9884 126.3568 53.9461 42.5307 177.0326 58 W 4.2308 8.7924 129.4233 59.6581 31.0091 175.7168 59 N 4.9942 8.0271 113.9992 50.9399 39.7371 172.5356 *61 P 4.0692 0.0000 0.0000 63.7515 32.3764 176.7623 62 N 4.3677 8.5645 115.4511 54.4485 37.4932 174.4831 *64 D 4.3869 7.6452 116.8564 52.5701 41.7847 176.2339 65 G 3.5636 7.9489 106.7398 47.1780 0.0000 175.5633 66 L 3.6654 6.9796 122.2262 57.7786 42.1217 178.5846 67 E 3.7972 8.3042 119.2516 58.8231 29.4372 178.4965 68 L 3.8355 7.9167 120.7868 57.9519 42.1352 178.5178 69 L 3.8746 8.1348 120.6060 58.2983 41.9343 179.0874 70 K 3.9090 8.1770 118.3957 59.8039 31.7337 179.5176 71 T 3.8494 7.7213 114.8957 66.5515 68.6604 176.4875 72 I 3.8133 7.8707 121.8025 64.6041 36.9715 178.8109 73 R 3.9661 8.0640 117.0883 58.4209 29.9229 177.9600 74 A 4.5091 7.4187 117.9482 51.0342 19.3661 176.1479 75 D 4.5688 7.4029 118.3992 52.5090 41.9515 175.9773 76 G 3.8619 9.0658 116.2122 48.9792 0.0000 174.3042 77 A 3.9976 7.8469 119.0553 53.3050 18.0380 178.2343 *79 S 4.5368 7.9230 111.4388 58.2040 64.7411 174.4238 80 A 4.4082 7.7957 121.2332 51.4539 19.2859 176.4495 81 L 3.9446 7.7070 118.9368 54.8859 42.6683 175.1516 82 P 4.1577 0.0000 0.0000 62.4167 32.8194 175.4197 83 V 4.5850 8.5488 123.4527 61.3134 34.5590 174.5653 84 L 5.0755 9.0273 131.3399 53.4474 45.6641 174.4690 *86 V 4.4350 8.0142 117.8482 63.2467 32.8073 174.4232 87 T 4.9868 8.7966 121.0709 60.2975 70.6042 174.3922 88 A 4.2795 8.7600 128.0266 54.0473 19.1359 177.9609 89 E 4.5095 8.0732 115.0363 55.2305 33.7032 176.3884 90 A 4.1932 8.4179 129.9966 50.5249 17.6961 176.3301 91 K 4.3159 7.2489 122.3548 54.3319 34.7502 178.6579 92 K 3.8060 8.5254 120.9729 60.1139 31.9736 177.8541 93 E 3.8962 7.8518 117.4498 59.8844 29.2000 178.5429 94 N 3.5200 7.8376 114.7557 57.0062 38.5305 177.0851 95 I 3.0470 7.0648 118.9204 64.4380 37.1576 178.6852 96 I 3.5068 7.1180 118.9567 64.1732 36.9252 178.2765 97 A 3.9876 8.0100 121.2793 55.1100 18.2017 179.4145 98 A 4.0667 8.2823 119.0950 55.4256 18.5285 179.6191 99 A 4.0130 8.1307 119.3736 55.6580 18.2506 179.9692 100 Q 4.0216 8.2886 115.2739 58.5345 28.8411 177.9117 101 A 4.3880 7.8722 119.5558 52.2546 18.8382 177.8578 102 G 3.8601 7.8712 105.6419 45.0600 0.0000 173.9021 103 A 4.1582 7.8673 122.2872 52.1080 18.7953 179.2752 104 S 4.1977 8.8539 118.7052 60.8390 63.1616 174.2132 105 G 4.0512 7.4468 104.7400 46.1000 0.0000 172.1646 106 W 5.6438 7.8310 115.5929 55.1357 31.3723 174.6694 107 V 4.4815 8.3148 119.2157 60.1572 34.6707 173.8107 108 V 4.8907 8.4873 123.1281 61.7196 32.3845 175.1275 109 K 4.9940 8.6812 128.1168 55.0388 34.1351 175.0225 110 P 4.4135 0.0000 0.0000 62.3881 32.2758 175.4982 111 F 5.0226 7.4831 114.5915 54.7728 40.7616 175.4879 112 T 4.3268 8.3481 113.1224 60.8835 71.2179 175.6248 113 A 4.0489 8.5304 122.7083 55.2482 18.3395 179.7129 114 A 3.9550 8.0094 118.6879 55.6629 18.5396 179.7587 115 T 3.7893 8.1235 114.2385 66.7790 68.4971 176.4109 116 L 3.7479 8.1464 122.1991 58.1555 41.9310 178.6058 117 E 3.9367 8.4174 119.3744 59.3206 29.5918 178.4136 118 E 3.8961 8.1919 119.2400 59.1671 29.7994 178.9136 119 K 3.7781 8.0153 118.4309 59.3655 32.1311 179.3285 120 L 3.5119 7.9553 119.4242 57.6720 41.4138 179.2613 121 N 4.5536 8.2890 116.6169 56.3936 38.4270 177.4853 122 K 3.8844 7.9282 119.7214 59.6007 32.0563 179.4587 123 I 3.6544 7.4475 119.4046 64.2455 37.1310 178.3184 124 F 4.6581 8.2840 118.9350 60.8793 38.6014 177.4226 125 E 4.0238 8.8003 116.9597 59.5180 29.4258 178.9870 126 K 4.0432 8.1116 118.1881 59.2742 32.3673 177.8723 127 L 4.4280 8.1859 116.1109 54.0015 42.0913 176.9374 128 G 4.1684 7.9409 113.2627 45.9180 0.0000 173.5546 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 A 8.26 3.84 0.74 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 0.00 0.00 3 D 8.48 4.30 0.00 2.77 2.61 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 4 K 9.48 3.96 0.00 1.98 1.91 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 5 E 8.40 4.44 0.00 2.12 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 2.30 2.39 0.00 6 L 7.65 3.76 0.00 1.91 2.03 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.70 4.57 0.00 1.76 1.50 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.57 7.81 8 F 9.55 5.39 0.00 3.07 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 9 L 9.06 5.24 0.00 1.58 1.48 0.95 0.49 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 10 V 9.20 4.70 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 0.95 0.00 0.00 1.04 0.00 0.00 11 V 8.85 4.90 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 0.94 0.00 0.00 12 D 8.63 4.92 0.00 2.82 2.49 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 13 K 8.64 4.11 0.00 1.61 1.68 0.00 0.90 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.45 0.21 7.81 14 F 8.45 5.07 0.00 3.21 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 15 S 9.20 4.31 0.00 3.91 3.94 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 16 T 7.96 4.02 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 1.18 0.00 0.00 *18 R 8.07 4.34 0.00 2.08 2.07 0.00 3.31 0.00 0.00 3.62 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 19 R 8.13 3.90 0.00 2.04 2.04 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 I 7.82 3.63 1.81 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 1.35 0.60 0.75 0.00 0.00 21 V 7.78 3.63 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 1.27 0.00 0.00 1.09 0.00 0.00 22 R 8.34 3.86 0.00 2.03 2.06 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 23 N 8.33 4.43 0.00 2.98 2.83 0.00 0.00 7.03 6.25 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 24 L 8.27 4.01 0.00 1.85 1.79 0.76 0.42 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 25 L 8.16 3.94 0.00 1.73 1.59 0.56 0.14 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 26 K 7.92 4.13 0.00 1.95 2.00 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 27 E 7.95 4.05 0.00 2.24 2.01 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 2.34 2.51 0.00 28 L 7.43 4.37 0.00 1.95 1.90 1.05 1.09 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 29 G 8.01 3.62 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 0.00 0.00 0.00 30 F 8.09 4.81 0.00 3.03 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 31 N 8.07 4.73 0.00 2.72 2.89 0.00 0.00 6.95 7.88 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 32 N 8.02 4.78 0.00 3.25 3.12 0.00 0.00 6.62 7.71 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 33 V 8.03 5.07 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 0.96 0.00 0.00 0.93 0.00 0.00 34 E 9.61 5.04 0.00 2.27 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 2.34 2.63 0.00 35 E 8.81 5.40 0.00 1.85 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 2.33 0.00 36 A 8.76 5.03 1.21 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 0.00 0.00 37 E 9.80 4.90 0.00 2.10 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 2.16 0.00 38 D 7.44 4.47 0.00 3.02 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 39 G 8.43 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.52 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 1.08 0.00 0.00 0.89 0.00 0.00 41 D 8.97 4.27 0.00 2.82 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 42 A 8.23 3.88 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 43 L 7.91 3.90 0.00 1.79 1.69 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.14 4.33 0.00 2.85 2.87 0.00 0.00 7.08 8.47 0.00 0.00 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 K 7.95 4.15 0.00 1.79 1.71 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 46 L 8.03 3.71 0.00 1.53 1.62 0.80 0.25 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 47 Q 8.04 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 48 A 7.89 4.20 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 49 G 8.03 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 50 G 8.71 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 51 Y 7.84 4.08 0.00 3.01 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 52 G 8.92 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 0.00 0.00 0.00 53 F 7.66 4.56 0.00 2.52 1.67 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 V 8.43 5.05 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 0.80 0.00 0.00 0.89 0.00 0.00 55 I 9.17 5.15 2.05 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 1.36 0.88 1.04 0.00 0.00 56 S 9.04 5.17 0.00 3.84 3.72 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 57 D 8.99 4.74 0.00 3.15 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.79 4.23 0.00 3.64 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 59 N 8.03 4.99 0.00 2.81 2.76 0.00 0.00 6.87 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 *61 P 0.00 4.07 0.00 2.16 2.06 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 62 N 8.56 4.37 0.00 2.87 3.02 0.00 0.00 6.91 8.06 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 *64 D 7.65 4.39 0.00 2.90 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 65 G 7.95 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.98 3.67 0.00 0.67 1.31 0.91 0.78 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 E 8.30 3.80 0.00 2.06 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 2.23 2.28 0.00 68 L 7.92 3.84 0.00 1.74 1.80 0.85 0.75 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 69 L 8.13 3.87 0.00 1.72 1.83 0.92 0.83 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 70 K 8.18 3.91 0.00 1.90 1.80 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.63 7.81 71 T 7.72 3.85 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 1.17 0.00 0.00 72 I 7.87 3.81 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 1.46 0.82 0.86 0.00 0.00 73 R 8.06 3.97 0.00 1.88 1.98 0.00 3.29 0.00 0.00 3.41 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 74 A 7.42 4.51 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 75 D 7.40 4.57 0.00 2.76 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 76 G 9.07 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 77 A 7.85 4.00 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 *79 S 7.92 4.54 0.00 4.05 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 80 A 7.80 4.41 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 81 L 7.71 3.94 0.00 1.60 1.52 0.90 0.94 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 82 P 0.00 4.16 0.00 0.49 1.42 0.00 3.49 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 1.83 1.90 0.00 83 V 8.55 4.58 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 0.94 0.00 0.00 0.90 0.00 0.00 84 L 9.03 5.08 0.00 2.00 1.83 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 8.01 4.44 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 1.18 0.00 0.00 1.09 0.00 0.00 87 T 8.80 4.99 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 1.23 0.00 0.00 88 A 8.76 4.28 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 89 E 8.07 4.51 0.00 1.83 1.74 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 2.22 2.23 0.00 90 A 8.42 4.19 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 91 K 7.25 4.32 0.00 1.84 1.84 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.22 7.81 92 K 8.53 3.81 0.00 1.74 1.82 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 93 E 7.85 3.90 0.00 1.91 1.89 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 2.34 2.32 0.00 94 N 7.84 3.52 0.00 2.28 2.04 0.00 0.00 6.91 7.33 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 95 I 7.06 3.05 1.28 0.00 0.00 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 0.61 0.11 -0.99 0.00 0.00 96 I 7.12 3.51 1.96 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 1.59 0.86 0.86 0.00 0.00 97 A 8.01 3.99 1.54 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 0.00 0.00 98 A 8.28 4.07 1.54 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 0.00 0.00 99 A 8.13 4.01 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 0.00 100 Q 8.29 4.02 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 101 A 7.87 4.39 1.33 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 0.00 0.00 102 G 7.87 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 0.00 103 A 7.87 4.16 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 0.00 104 S 8.85 4.20 0.00 3.83 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 0.00 105 G 7.45 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 0.00 106 W 7.83 5.64 0.00 3.24 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 0.00 107 V 8.31 4.48 1.77 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 0.29 0.00 0.00 0.58 0.00 0.00 108 V 8.49 4.89 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 0.90 0.00 0.00 1.05 0.00 0.00 109 K 8.68 4.99 0.00 1.88 2.10 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.46 7.81 110 P 0.00 4.41 0.00 2.13 1.99 0.00 3.73 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 1.97 1.93 0.00 111 F 7.48 5.02 0.00 3.10 3.22 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 0.00 112 T 8.35 4.33 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 1.24 0.00 0.00 113 A 8.53 4.05 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 0.00 114 A 8.01 3.95 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 0.00 115 T 8.12 3.79 4.49 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 1.20 0.00 0.00 116 L 8.15 3.75 0.00 1.94 1.95 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.42 3.94 0.00 2.19 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 0.00 2.36 2.42 0.00 118 E 8.19 3.90 0.00 2.04 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 2.27 2.47 0.00 119 K 8.02 3.78 0.00 1.77 1.65 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.38 7.81 120 L 7.96 3.51 0.00 1.60 0.95 0.68 0.00 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 0.00 121 N 8.29 4.55 0.00 2.75 2.97 0.00 0.00 7.08 8.08 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 0.00 122 K 7.93 3.88 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.53 7.81 123 I 7.45 3.65 1.88 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 1.56 0.62 0.85 0.00 0.00 124 F 8.28 4.66 0.00 3.31 3.06 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 0.00 0.00 0.00 125 E 8.80 4.02 0.00 2.20 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 2.39 2.40 0.00 126 K 8.11 4.04 0.00 1.80 2.07 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 127 L 8.19 4.43 0.00 1.72 1.72 0.87 1.21 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 0.00 128 G 7.94 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.