NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3843 8.3349 115.2894 57.8987 63.6851 173.0870 2 K 4.4474 8.2929 126.8908 54.4517 33.5647 174.3422 3 T 5.3899 9.2974 113.7389 60.2142 72.6203 172.5621 4 I 4.3800 8.2232 123.4284 59.5707 40.0494 174.7979 5 V 4.6347 8.2381 125.7502 61.3283 33.0723 175.0553 6 L 4.5452 8.7319 128.6555 54.0951 44.0680 176.2592 7 S 4.8190 8.2350 114.9833 57.4143 64.9389 173.5112 8 V 4.2472 8.4428 127.7696 61.8036 33.9043 175.8012 9 G 3.9287 8.3195 118.8307 47.1389 0.0000 174.4406 10 E 4.0784 8.9868 122.3049 58.2385 29.9013 176.9565 11 A 4.1155 7.8939 122.7787 52.1889 18.9740 176.2686 12 T 4.9063 8.2491 113.3703 60.5755 71.3000 174.6594 13 R 4.4904 9.1339 121.6868 55.0318 34.0419 174.6969 14 T 4.7699 8.5619 121.9021 61.9601 70.3405 173.5058 15 L 4.8178 8.7400 127.6066 54.0481 43.7446 176.3142 16 T 5.2254 8.8179 119.2653 61.5460 72.2748 173.2116 17 E 3.8314 8.8752 126.8973 56.4353 29.8811 175.6629 18 I 4.2715 8.4158 125.1085 62.5832 39.5811 175.6753 19 Q 4.5200 7.2590 116.4887 54.9568 32.7725 173.0914 20 S 4.7792 8.3005 112.0575 59.6381 65.2722 174.2147 21 T 4.5679 8.2381 107.0281 62.8231 74.1889 174.3840 *24 R 4.4441 7.7676 120.1818 55.8921 31.9341 174.8483 25 Q 4.8435 9.1305 121.3501 54.4705 33.8578 173.7099 26 I 4.9781 8.5297 123.8178 59.6529 40.3089 174.7725 27 F 5.2366 9.4213 125.7202 56.0010 42.4462 174.3282 28 E 5.0562 9.0212 120.9079 54.9629 33.4987 173.8771 29 E 4.5745 9.0052 128.7315 54.9882 29.5382 177.0999 30 K 4.3756 8.4265 129.0200 54.6457 30.5084 176.2901 31 V 4.3374 7.5830 118.6825 62.6148 35.2046 175.2586 32 G 3.8228 8.6127 113.2525 44.2026 0.0000 171.2700 33 P 4.4506 0.0000 0.0000 62.2897 32.0493 177.2989 34 L 4.0539 8.4768 120.2830 57.5191 41.7923 178.4394 35 V 4.0817 7.0459 107.9523 61.1428 32.6900 175.7326 36 G 3.8106 8.5058 110.0273 46.8449 0.0000 173.9161 37 R 4.3633 7.8294 117.0480 54.2536 31.7174 176.5683 38 L 4.2527 8.3812 123.4462 55.6348 43.4526 175.5942 39 R 5.0047 8.8902 125.7739 54.5154 33.6305 173.1889 40 L 5.2207 8.8210 128.5876 53.8718 44.2496 174.7912 41 T 5.2030 8.8547 123.5066 61.9261 70.8619 173.7584 42 A 5.3383 8.7649 127.0685 50.5623 23.2672 174.4951 43 S 4.7852 8.5015 110.3433 57.6524 66.5593 174.3255 44 L 5.3593 8.5507 127.1409 53.6241 45.1049 175.1252 45 R 4.8162 8.8865 120.7218 55.3190 33.3769 173.7521 46 Q 4.8621 8.4627 118.6315 54.2407 30.8443 175.4033 47 N 4.4636 8.5000 119.9446 52.6147 38.3943 176.3578 48 G 3.5448 8.7407 107.9814 48.7080 0.0000 174.9370 49 A 4.0420 7.9161 120.6516 52.3855 18.7497 176.9827 50 K 3.7475 7.5755 114.3502 58.0262 30.1282 175.8766 51 T 4.5718 8.1451 107.0580 61.6664 70.8461 173.4415 52 A 5.0491 7.6675 122.8797 51.4685 23.2423 174.2436 53 Y 5.1031 9.6166 116.9090 56.3413 42.2209 175.8038 54 R 5.0388 9.3062 120.8905 54.5430 33.3696 174.8658 55 V 4.4959 8.6385 125.6156 62.2078 32.9951 174.4352 56 N 5.5724 9.1996 125.7350 51.6558 41.4787 173.6851 57 L 5.2013 8.6405 123.4208 53.6264 46.3783 174.6360 58 K 5.0901 9.3357 126.5225 54.8832 36.3099 174.1873 59 L 5.0755 9.1334 129.7207 53.4882 44.4691 174.2712 60 D 5.2629 9.4084 127.5131 52.7109 43.4292 174.7052 61 Q 4.5100 9.1557 128.6577 54.1422 30.8494 174.4711 62 A 4.5499 8.5705 128.3541 51.7599 19.9712 176.2175 63 D 4.4413 8.7601 121.1753 52.8181 42.2388 175.1157 64 V 4.6900 8.1425 126.0065 61.0117 34.0013 174.8887 65 V 4.1404 8.6937 128.2470 61.1084 33.1275 174.6864 66 D 4.8517 8.7645 128.9516 54.1155 40.2454 175.1185 67 S 4.5396 9.0067 122.9223 59.2879 65.2871 174.3579 68 G 3.4882 8.3374 111.7476 45.5575 0.0000 173.5042 *75 L 4.4290 7.4152 126.5516 53.2856 41.8165 173.9052 76 P 4.5094 0.0000 0.0000 62.8536 32.3195 175.7365 77 K 4.3960 8.7766 125.0024 54.5381 34.4653 175.2976 78 V 4.2232 8.3777 128.7667 62.4598 31.0120 175.7587 79 R 4.3007 9.2210 129.5492 59.2401 30.7951 176.3384 80 Y 4.8354 6.9647 114.5838 56.6760 40.8534 173.0056 81 T 5.1917 8.7773 109.4325 60.0691 71.7088 173.1052 82 Q 4.8728 9.1419 123.2847 54.1607 32.0365 174.7169 83 V 4.9657 8.4088 121.7585 60.8933 35.0605 174.5288 84 W 4.8292 9.2362 135.0000 55.8535 32.8569 174.2452 85 S 5.4223 8.7863 121.6403 57.2883 65.4003 173.0697 86 H 5.1195 9.4431 117.1340 54.2614 33.0567 172.6329 87 D 4.7908 8.7996 120.6039 53.0555 43.8300 174.4301 88 V 4.3635 8.8285 127.3745 61.4670 33.8131 174.5082 89 T 4.9241 8.6329 125.4924 62.6354 69.4325 174.2232 90 I 4.5513 8.6226 128.1451 59.3601 40.2798 175.1409 91 V 4.3005 8.4147 126.8038 61.8392 32.2086 176.6933 92 A 4.3080 9.0333 132.0469 54.7510 18.3997 177.7976 93 N 4.9250 8.0490 111.1201 52.5807 37.6504 174.9935 94 S 4.5375 7.6572 113.2945 58.1000 64.0290 174.3650 95 T 4.2316 8.0676 111.5575 61.2863 70.8065 175.2729 96 E 3.9007 8.7402 122.9122 59.2038 29.6384 178.7354 97 A 4.0140 8.1566 120.8399 55.5374 18.3529 179.6730 98 S 4.0833 7.8847 112.2573 61.6601 62.9952 176.9202 99 R 3.9724 7.7888 121.1026 58.7867 29.7719 178.8103 100 K 3.9882 8.3785 119.8169 59.4348 32.1011 178.7654 101 S 4.0936 8.3779 113.6965 61.3716 62.3526 175.9851 102 L 3.9529 7.9567 122.9999 58.1054 41.7697 178.1553 103 Y 3.9870 8.2416 119.5786 60.9161 38.8003 177.9331 104 D 4.2029 8.4845 119.9514 57.4195 40.8724 178.8890 105 L 4.0040 8.1209 119.5718 58.0378 41.5023 179.7652 106 T 3.8496 7.8267 115.8177 66.2082 68.3406 176.7160 107 K 3.6454 7.8037 121.7635 59.3889 31.9179 178.7256 108 S 3.9808 7.7365 112.0698 61.2057 62.4962 175.2995 109 L 4.0843 7.9841 123.1769 58.5534 41.5653 179.3131 110 V 3.6984 7.8055 116.3342 65.8453 31.5773 177.5318 111 A 4.1134 7.8397 119.3878 53.4649 18.8572 177.9841 112 T 4.0651 7.0470 108.3108 61.3576 69.6435 175.9526 113 S 4.2063 8.6354 119.2645 61.7325 62.7763 177.1361 114 Q 3.9764 7.9980 120.6244 58.9764 28.4959 178.6720 115 V 3.6577 7.7249 118.8575 65.6810 31.4525 177.6452 116 E 3.9757 8.1207 118.7363 59.5244 29.5918 178.3590 117 D 4.3148 8.3963 118.2284 57.0638 41.1525 178.1140 118 L 4.2297 7.9057 122.2803 57.7303 42.0005 179.1636 119 V 3.4618 7.7358 116.9736 65.7571 31.5293 177.7973 120 V 3.8659 8.0082 117.2820 65.0740 30.3721 176.8683 121 N 4.8546 8.0017 113.1470 51.6871 38.9988 174.8213 122 L 3.7627 7.7067 118.9333 55.5171 40.0909 174.2908 123 V 4.0560 6.9974 116.4334 60.9593 32.2958 173.9135 124 P 4.3828 0.0000 0.0000 62.0442 31.8827 176.1169 125 L 4.0268 8.0677 120.7793 55.0911 42.2006 177.4221 126 G 3.8871 9.8559 108.8916 46.6772 0.0000 174.2054 127 R 4.1965 8.2105 122.9974 56.1563 30.9435 175.5555 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 8.33 4.38 0.00 3.83 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 2 K 8.29 4.45 0.00 1.90 1.81 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.49 7.81 3 T 9.30 5.39 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 1.32 0.00 0.00 4 I 8.22 4.38 1.55 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.74 0.00 0.00 5 V 8.24 4.63 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 0.80 0.00 0.00 0.92 0.00 0.00 6 L 8.73 4.55 0.00 1.59 1.51 0.86 0.74 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 7 S 8.24 4.82 0.00 3.80 3.67 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 8 V 8.44 4.25 2.07 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 0.84 0.00 0.00 0.91 0.00 0.00 9 G 8.32 3.93 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 0.00 0.00 0.00 10 E 8.99 4.08 0.00 1.97 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 2.29 2.30 0.00 11 A 7.89 4.12 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 12 T 8.25 4.91 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 1.20 0.00 0.00 13 R 9.13 4.49 0.00 1.63 1.83 0.00 3.25 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 14 T 8.56 4.77 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 1.24 0.00 0.00 15 L 8.74 4.82 0.00 1.66 1.71 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.82 5.23 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 1.23 0.00 0.00 17 E 8.88 3.83 0.00 1.32 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 1.89 1.47 0.00 18 I 8.42 4.27 1.81 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 1.23 1.04 0.88 0.00 0.00 19 Q 7.26 4.52 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 20 S 8.30 4.78 0.00 3.96 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 21 T 8.24 4.57 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 *24 R 7.77 4.44 0.00 1.89 1.95 0.00 3.28 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 25 Q 9.13 4.84 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 26 I 8.53 4.98 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.94 0.00 0.00 27 F 9.42 5.24 0.00 2.95 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 28 E 9.02 5.06 0.00 2.04 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 0.00 2.23 2.29 0.00 29 E 9.01 4.57 0.00 2.03 1.90 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 2.33 2.23 0.00 30 K 8.43 4.38 0.00 1.80 1.77 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.61 7.81 31 V 7.58 4.34 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 32 G 8.61 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 33 P 0.00 4.45 0.00 2.18 1.98 0.00 3.60 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 2.10 2.26 0.00 34 L 8.48 4.05 0.00 1.61 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.05 4.08 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 0.65 0.00 0.00 0.92 0.00 0.00 36 G 8.51 3.81 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 0.00 0.00 0.00 37 R 7.83 4.36 0.00 1.82 2.07 0.00 3.36 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 38 L 8.38 4.25 0.00 1.78 1.57 0.94 0.75 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 39 R 8.89 5.00 0.00 2.08 1.74 0.00 3.13 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 40 L 8.82 5.22 0.00 1.78 1.58 0.79 0.61 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 41 T 8.85 5.20 4.30 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 1.30 0.00 0.00 42 A 8.76 5.34 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 43 S 8.50 4.79 0.00 3.92 3.69 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 44 L 8.55 5.36 0.00 1.64 1.50 0.95 0.84 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 45 R 8.89 4.82 0.00 1.94 2.00 0.00 2.83 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 46 Q 8.46 4.86 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 1.62 2.30 0.00 47 N 8.50 4.46 0.00 2.84 2.94 0.00 0.00 7.02 7.02 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 48 G 8.74 3.54 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 0.00 49 A 7.92 4.04 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 50 K 7.58 3.75 0.00 1.89 1.82 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.44 7.81 51 T 8.15 4.57 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 1.23 0.00 0.00 52 A 7.67 5.05 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 53 Y 9.62 5.10 0.00 2.81 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 54 R 9.31 5.04 0.00 1.68 1.87 0.00 3.32 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.64 4.50 2.12 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 0.97 0.00 0.00 0.95 0.00 0.00 56 N 9.20 5.57 0.00 2.70 2.73 0.00 0.00 5.96 6.91 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 57 L 8.64 5.20 0.00 1.78 1.49 0.90 0.17 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 58 K 9.34 5.09 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 59 L 9.13 5.08 0.00 1.82 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.41 5.26 0.00 2.74 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 61 Q 9.16 4.51 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 62 A 8.57 4.55 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 63 D 8.76 4.44 0.00 1.72 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 64 V 8.14 4.69 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 0.80 0.00 0.00 0.97 0.00 0.00 65 V 8.69 4.14 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 0.87 0.00 0.00 0.91 0.00 0.00 66 D 8.76 4.85 0.00 2.67 2.60 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 67 S 9.01 4.54 0.00 3.94 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 68 G 8.34 3.49 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 0.00 *75 L 7.42 4.43 0.00 1.62 1.68 0.92 1.05 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 76 P 0.00 4.51 0.00 1.96 1.97 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 77 K 8.78 4.40 0.00 1.85 1.63 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.37 7.81 78 V 8.38 4.22 2.07 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 0.80 0.00 0.00 0.91 0.00 0.00 79 R 9.22 4.30 0.00 1.54 2.05 0.00 3.30 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 80 Y 6.96 4.84 0.00 2.96 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 81 T 8.78 5.19 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 1.23 0.00 0.00 82 Q 9.14 4.87 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 83 V 8.41 4.97 2.12 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 0.88 0.00 0.00 1.03 0.00 0.00 84 W 9.24 4.83 0.00 3.50 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 85 S 8.79 5.42 0.00 3.98 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 86 H 9.44 5.12 0.00 3.14 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.80 4.79 0.00 2.67 2.56 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 88 V 8.83 4.36 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 0.98 0.00 0.00 0.99 0.00 0.00 89 T 8.63 4.92 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 1.25 0.00 0.00 90 I 8.62 4.55 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.97 0.00 0.00 91 V 8.41 4.30 2.12 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 1.01 0.00 0.00 0.96 0.00 0.00 92 A 9.03 4.31 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 93 N 8.05 4.93 0.00 2.84 2.90 0.00 0.00 6.04 7.64 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 94 S 7.66 4.54 0.00 4.06 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 95 T 8.07 4.23 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 1.22 0.00 0.00 96 E 8.74 3.90 0.00 2.04 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 2.36 2.35 0.00 97 A 8.16 4.01 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 98 S 7.88 4.08 0.00 4.03 4.15 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 99 R 7.79 3.97 0.00 2.02 2.02 0.00 3.13 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 100 K 8.38 3.99 0.00 1.85 2.09 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 101 S 8.38 4.09 0.00 3.98 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 0.00 102 L 7.96 3.95 0.00 1.95 1.86 0.95 0.91 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 0.00 103 Y 8.24 3.99 0.00 3.14 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 0.00 104 D 8.48 4.20 0.00 2.92 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 0.00 105 L 8.12 4.00 0.00 1.72 1.70 0.95 0.70 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 0.00 106 T 7.83 3.85 4.20 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 1.21 0.00 0.00 107 K 7.80 3.65 0.00 1.25 1.66 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.24 7.81 108 S 7.74 3.98 0.00 3.94 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 0.00 109 L 7.98 4.08 0.00 1.91 1.89 0.95 1.06 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 0.00 110 V 7.81 3.70 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 0.66 0.00 0.00 1.05 0.00 0.00 111 A 7.84 4.11 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 0.00 112 T 7.05 4.07 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 1.28 0.00 0.00 113 S 8.64 4.21 0.00 3.89 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 0.00 114 Q 8.00 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 115 V 7.72 3.66 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 1.31 0.00 0.00 1.02 0.00 0.00 116 E 8.12 3.98 0.00 2.15 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 2.34 2.37 0.00 117 D 8.40 4.31 0.00 3.03 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.23 0.00 1.97 1.80 0.95 0.77 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 0.00 119 V 7.74 3.46 2.15 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 0.82 0.00 0.00 0.56 0.00 0.00 120 V 8.01 3.87 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 0.92 0.00 0.00 1.00 0.00 0.00 121 N 8.00 4.85 0.00 3.02 2.77 0.00 0.00 7.10 6.02 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 0.00 122 L 7.71 3.76 0.00 1.76 1.70 0.88 0.91 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 0.00 123 V 7.00 4.06 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 0.96 0.00 0.00 0.96 0.00 0.00 124 P 0.00 4.38 0.00 2.07 1.95 0.00 3.72 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 2.01 2.08 0.00 125 L 8.07 4.03 0.00 1.63 1.74 0.92 1.01 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 0.00 126 G 9.86 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 0.00 127 R 8.21 4.20 0.00 1.76 1.78 0.00 3.41 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 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.