NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3670 8.3144 120.0904 56.0009 33.4670 175.9632 4 C 4.4219 8.6818 126.5327 56.4439 43.9362 171.3354 5 S 4.7898 9.6825 121.6727 56.5124 64.8354 173.7671 6 L 4.0838 8.6393 126.3224 57.3304 41.5792 177.8718 7 T 3.9369 7.6820 115.5396 65.0015 69.0492 172.5554 8 G 3.4765 8.2006 109.5795 44.1220 0.0000 172.1782 9 K 4.9568 8.1038 117.2950 54.9488 33.9296 176.3948 10 W 5.2664 9.7293 124.1901 55.2253 33.9301 174.1045 11 T 5.3525 9.6766 116.0571 60.6537 70.2460 173.5818 12 N 5.2261 9.4642 127.0301 51.1935 38.9530 174.6916 13 D 4.5689 8.5678 116.5732 54.2932 39.8132 176.3779 14 L 4.5128 7.7423 120.3112 54.3686 43.0332 175.2923 15 G 4.2534 8.5740 107.8214 47.0151 0.0000 175.1723 16 S 4.5111 8.8878 115.9764 58.4561 64.1640 173.5009 17 N 5.7110 8.4640 119.6231 51.9676 41.9335 173.5183 18 M 5.1622 9.0715 117.9353 54.0561 35.5830 173.8236 19 T 5.0952 8.6374 115.8652 61.9201 72.2473 173.2457 20 I 4.7582 8.8282 126.3122 59.4107 40.6046 176.1791 21 G 4.3211 9.2201 113.5759 45.1292 0.0000 173.1317 22 A 4.2435 8.7621 121.9542 51.5350 18.8261 177.4605 23 V 4.2937 8.1470 121.3349 60.4288 32.6243 176.1712 24 N 4.7342 9.1952 123.5016 51.3922 38.3470 175.9174 25 S 4.3556 8.6457 112.8340 61.4181 62.5828 175.5443 26 R 4.1646 8.1874 117.7024 56.2587 30.1936 177.1218 27 G 4.2138 8.7775 107.0429 46.5608 0.0000 172.4149 28 E 4.9881 8.1984 119.3419 54.9286 31.6300 175.2360 29 F 5.2257 8.1970 117.8924 55.6129 41.6381 173.8149 30 T 4.9715 8.5385 117.5194 62.3289 71.4938 173.0989 31 G 4.1134 8.3537 111.3524 46.1736 0.0000 172.7827 32 T 4.8554 8.5290 111.2949 60.8528 72.7571 172.4702 33 Y 4.7711 9.3219 126.5425 56.0265 41.6397 174.3547 34 I 4.6904 8.7320 128.8966 59.6355 37.7917 174.6261 35 T 4.3005 8.7207 121.0806 61.8667 67.9512 174.4731 36 A 4.2477 9.7191 132.4112 54.0512 18.8901 177.5408 37 V 4.3214 7.5018 113.0318 61.0662 34.2729 172.6050 38 A 4.4268 7.8172 122.1424 51.5051 21.8927 175.6141 39 D 4.4665 8.6762 116.3593 56.7896 41.3215 176.9508 40 N 4.8903 7.7245 118.2588 50.3102 38.4687 173.0730 41 P 4.2794 0.0000 0.0000 64.5001 32.0621 179.7291 42 G 3.6477 8.0372 107.9991 48.7117 0.0000 174.4548 43 N 4.4232 8.0532 115.5850 54.1620 38.8383 175.4931 44 I 2.0000 6.2481 117.7595 61.5605 37.4400 175.1248 45 T 4.7485 7.4128 113.6404 59.2189 71.9318 173.2748 46 L 4.5501 8.4873 122.7295 56.3507 41.2622 176.4896 47 S 5.0416 9.1881 117.5853 55.9025 67.1580 171.7955 48 P 4.6861 0.0000 0.0000 62.7883 32.8586 174.7990 49 L 5.0396 8.1754 122.8010 53.4184 45.9260 174.8980 50 L 4.5307 8.4193 126.7845 54.6052 45.9308 174.4192 51 G 3.9903 7.3976 112.5058 45.9281 0.0000 171.4707 52 I 5.1186 8.2705 119.4886 59.4877 41.4069 174.6948 53 Q 5.2618 9.2310 126.3585 54.5090 32.4815 174.3493 54 H 4.3431 8.7277 122.3567 56.2765 29.6558 176.1745 *57 K 4.5099 8.6670 120.6520 56.6787 34.0619 177.0808 58 R 3.9626 8.3266 117.4598 59.3191 30.0008 177.1067 59 A 4.1627 7.8630 119.7126 52.0244 19.1995 177.5570 60 S 4.3197 8.8584 117.5359 60.6079 63.6947 173.4159 61 Q 4.9977 7.9060 119.7484 52.4165 27.7210 173.6627 62 P 4.5894 0.0000 0.0000 62.7891 33.7914 176.4764 63 T 4.8526 8.4519 117.7183 63.1985 70.7329 173.5630 64 F 5.4291 8.3952 118.0451 56.4864 41.8408 172.9939 65 G 4.7484 9.4671 105.9785 45.3176 0.0000 171.7707 66 F 5.4645 8.7966 115.5107 55.7738 41.9629 173.0725 67 T 4.8535 9.0145 118.2927 62.5307 70.1729 173.7859 68 V 4.1142 9.1356 126.8363 61.2716 33.6179 174.1413 69 N 4.7223 7.9521 126.8384 51.1726 39.5047 173.8753 70 W 4.3334 7.6965 127.3018 56.4417 29.1459 177.7426 71 K 4.2163 8.7481 126.1312 58.1334 31.8707 177.3345 72 F 4.9558 7.6079 111.8650 56.2552 38.0864 174.3451 73 S 4.4614 7.1175 113.5560 58.2298 65.4881 174.4229 74 E 4.1513 8.6274 118.8686 57.7283 29.5268 177.0768 75 S 4.9231 7.5119 113.4930 57.3373 65.9556 173.2443 76 T 4.9846 8.4686 115.9406 62.1511 72.1804 173.2652 77 T 5.1544 8.2009 120.9682 61.8904 72.0540 173.6002 78 V 4.9034 8.3616 117.4910 59.6609 35.3498 174.6245 79 F 5.2709 8.8701 123.4820 56.1472 42.0162 174.9317 80 T 4.7874 9.3783 118.2143 61.1595 72.6670 172.9706 81 G 3.8754 6.4116 107.0863 46.6474 0.0000 170.9336 82 Q 4.7527 7.6268 119.8338 54.2503 32.6862 173.6142 83 C 4.8988 9.1772 126.9579 56.2924 42.0284 172.2120 84 F 5.6917 9.5862 124.9345 56.0735 42.3852 174.4984 85 I 5.7216 8.7833 121.0375 58.8749 41.1825 176.0237 *89 G 3.7063 8.3097 109.8076 45.5194 0.0000 172.3927 90 K 4.5877 8.0655 125.1084 54.9284 35.2376 175.4406 91 E 5.2763 8.5124 118.8327 54.9439 31.4141 176.2439 92 V 5.0573 8.7215 116.0759 60.0920 36.6828 173.8810 93 L 5.0227 8.7428 125.5209 53.8660 43.4942 175.6654 94 K 5.1342 9.0061 123.6156 55.0858 34.2219 175.6182 95 T 5.7379 9.0125 114.4948 59.1947 72.8744 172.7144 96 M 5.3443 8.6048 120.7226 53.4572 36.5980 174.3852 97 W 6.0465 7.9372 116.7194 54.0712 32.4854 173.5315 98 L 5.3069 8.5565 120.5192 53.0049 44.2942 174.8907 99 L 4.9546 9.8440 127.2026 53.4292 44.4306 174.7112 100 R 4.9453 9.2900 127.8209 55.0982 31.6716 175.5790 101 S 4.9337 8.9423 122.8842 57.3268 65.0828 174.0767 102 S 4.4450 8.4616 118.1996 58.1651 63.0047 174.4025 103 V 4.3374 8.1843 118.2242 59.6520 33.5299 176.0817 104 N 4.5133 8.5909 119.7039 54.9898 39.1506 175.2715 105 D 4.9472 7.6629 116.7967 51.7873 43.9948 176.2498 106 I 3.7381 8.4898 125.7264 63.8648 38.2345 177.9387 107 G 3.7866 8.8495 109.1053 47.9421 0.0000 173.7386 108 D 4.9191 7.9853 118.7870 54.1442 41.2726 177.6201 109 D 4.3962 8.0106 122.0926 55.9027 41.4969 178.2697 110 W 4.3650 8.3690 115.7718 59.0618 27.8202 176.7882 111 K 3.7981 6.0512 114.1220 56.8197 32.5868 177.3482 112 A 4.0496 7.7557 123.2022 53.9407 18.7941 176.7846 113 T 5.0921 7.6580 112.2730 61.7142 70.7332 173.8487 114 R 4.9409 9.2561 126.3838 54.4674 33.8780 174.5035 115 V 4.5461 8.0065 121.6364 59.9179 34.2603 175.0919 116 G 3.1526 6.7713 111.7251 45.7146 0.0000 171.4103 117 Y 5.0952 7.5656 121.8375 56.6418 41.1557 174.2771 118 N 5.1022 9.2749 116.6674 52.3040 44.0454 173.7468 119 I 4.8223 8.8194 124.8880 60.3198 38.8472 175.4488 120 F 5.5778 9.2182 126.0776 55.9724 42.1677 174.6310 121 T 4.9076 8.7305 111.1360 61.5056 70.3178 172.9663 122 R 4.1491 8.7272 126.7919 55.3419 31.3866 176.3036 123 L 4.3297 7.8404 121.3502 55.3035 42.0643 176.0396 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 3 K 8.31 4.37 0.00 1.66 1.87 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.54 7.81 4 C 8.68 4.42 0.00 3.21 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 5 S 9.68 4.79 0.00 3.91 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 6 L 8.64 4.08 0.00 1.08 0.89 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.68 3.94 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 8 G 8.20 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.96 0.00 1.58 1.64 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 10 W 9.73 5.27 0.00 2.87 3.02 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 11 T 9.68 5.35 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 1.32 0.00 0.00 12 N 9.46 5.23 0.00 2.35 1.42 0.00 0.00 6.97 7.58 0.00 0.00 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 D 8.57 4.57 0.00 2.86 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 7.74 4.51 0.00 1.57 1.81 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.57 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 0.00 0.00 0.00 0.00 16 S 8.89 4.51 0.00 3.75 3.79 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 17 N 8.46 5.71 0.00 2.50 2.73 0.00 0.00 6.64 8.01 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 18 M 9.07 5.16 0.00 1.66 2.03 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 19 T 8.64 5.10 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 1.16 0.00 0.00 20 I 8.83 4.76 1.93 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.77 0.73 0.00 0.00 21 G 9.22 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 0.00 0.00 0.00 0.00 22 A 8.76 4.24 1.25 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 0.00 0.00 0.00 23 V 8.15 4.29 2.11 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 0.80 0.00 0.00 1.10 0.00 0.00 24 N 9.20 4.73 0.00 2.93 3.02 0.00 0.00 6.26 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 25 S 8.65 4.36 0.00 4.01 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 26 R 8.19 4.16 0.00 2.01 2.05 0.00 3.40 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 27 G 8.78 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 0.00 0.00 0.00 0.00 28 E 8.20 4.99 0.00 2.12 1.81 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 2.28 2.28 0.00 29 F 8.20 5.23 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 4.97 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 1.21 0.00 0.00 31 G 8.35 4.11 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 0.00 32 T 8.53 4.86 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 33 Y 9.32 4.77 0.00 2.81 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 34 I 8.73 4.69 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.06 0.93 0.00 0.00 35 T 8.72 4.30 4.90 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 1.46 0.00 0.00 36 A 9.72 4.25 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 37 V 7.50 4.32 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 0.60 0.00 0.00 0.90 0.00 0.00 38 A 7.82 4.43 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 39 D 8.68 4.47 0.00 2.65 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 40 N 7.72 4.89 0.00 2.78 2.75 0.00 0.00 6.88 8.03 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 41 P 0.00 4.28 0.00 2.15 2.25 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 42 G 8.04 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 0.00 0.00 0.00 43 N 8.05 4.42 0.00 3.05 3.07 0.00 0.00 7.03 6.88 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 44 I 6.25 2.00 1.68 0.00 0.00 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 0.83 -0.06 0.77 0.00 0.00 45 T 7.41 4.75 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 1.23 0.00 0.00 46 L 8.49 4.55 0.00 1.75 1.79 0.94 0.56 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 47 S 9.19 5.04 0.00 3.70 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 48 P 0.00 4.69 0.00 2.06 2.14 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 49 L 8.18 5.04 0.00 1.57 1.44 0.74 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.42 4.53 0.00 1.65 1.36 0.84 0.92 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 51 G 7.40 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 I 8.27 5.12 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.91 0.00 0.00 53 Q 9.23 5.26 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 54 H 8.73 4.34 0.00 3.23 3.23 0.00 5.70 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 *57 K 8.67 4.51 0.00 1.82 1.93 0.00 1.86 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 58 R 8.33 3.96 0.00 1.79 2.01 0.00 3.25 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 59 A 7.86 4.16 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 60 S 8.86 4.32 0.00 4.05 4.16 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 61 Q 7.91 5.00 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 62 P 0.00 4.59 0.00 2.25 2.31 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 63 T 8.45 4.85 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 1.24 0.00 0.00 64 F 8.40 5.43 0.00 3.34 3.21 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 65 G 9.47 4.75 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 66 F 8.80 5.46 0.00 3.10 3.15 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 67 T 9.01 4.85 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 1.15 0.00 0.00 68 V 9.14 4.11 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 -0.54 0.00 0.00 0.81 0.00 0.00 69 N 7.95 4.72 0.00 2.65 2.58 0.00 0.00 7.24 7.87 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 70 W 7.70 4.33 0.00 3.30 2.41 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 0.00 71 K 8.75 4.22 0.00 1.81 2.05 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 72 F 7.61 4.96 0.00 3.25 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 73 S 7.12 4.46 0.00 3.87 3.50 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 0.00 74 E 8.63 4.15 0.00 1.95 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 2.28 2.22 0.00 75 S 7.51 4.92 0.00 3.96 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 76 T 8.47 4.98 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 77 T 8.20 5.15 4.33 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 0.65 0.00 0.00 78 V 8.36 4.90 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 0.70 0.00 0.00 0.92 0.00 0.00 79 F 8.87 5.27 0.00 1.96 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 80 T 9.38 4.79 4.12 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 0.00 0.00 0.00 1.14 0.00 0.00 81 G 6.41 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 82 Q 7.63 4.75 0.00 1.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.94 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 83 C 9.18 4.90 0.00 3.14 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 84 F 9.59 5.69 0.00 3.17 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 85 I 8.78 5.72 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.98 0.00 0.00 *89 G 8.31 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 0.00 0.00 0.00 90 K 8.07 4.59 0.00 2.03 1.96 0.00 1.41 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 91 E 8.51 5.28 0.00 2.03 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 2.41 2.40 0.00 92 V 8.72 5.06 2.39 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 0.83 0.00 0.00 1.16 0.00 0.00 93 L 8.74 5.02 0.00 1.71 1.82 -0.22 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.01 5.13 0.00 1.98 1.90 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.81 7.81 95 T 9.01 5.74 4.83 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 1.79 0.00 0.00 96 M 8.60 5.34 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 97 W 7.94 6.05 0.00 2.66 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 0.00 0.00 0.00 0.00 98 L 8.56 5.31 0.00 1.62 1.63 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.84 4.95 0.00 1.56 1.77 1.03 0.52 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 0.00 100 R 9.29 4.95 0.00 1.93 1.93 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 101 S 8.94 4.93 0.00 3.76 3.70 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 0.00 102 S 8.46 4.44 0.00 3.72 3.79 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 0.00 103 V 8.18 4.34 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 0.60 0.00 0.00 0.93 0.00 0.00 104 N 8.59 4.51 0.00 2.70 2.86 0.00 0.00 6.66 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 0.00 105 D 7.66 4.95 0.00 2.63 2.47 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 0.00 0.00 0.00 0.00 106 I 8.49 3.74 1.88 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 1.38 1.20 0.93 0.00 0.00 107 G 8.85 3.79 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 0.00 108 D 7.99 4.92 0.00 2.85 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 0.00 109 D 8.01 4.40 0.00 2.68 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 0.00 110 W 8.37 4.37 0.00 3.63 3.26 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 0.00 111 K 6.05 3.80 0.00 1.27 0.74 0.00 1.28 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.77 7.81 112 A 7.76 4.05 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 0.00 113 T 7.66 5.09 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 0.00 114 R 9.26 4.94 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 115 V 8.01 4.55 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 0.69 0.00 0.00 0.72 0.00 0.00 116 G 6.77 3.15 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 0.00 0.00 0.00 117 Y 7.57 5.10 0.00 3.09 2.77 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 0.00 118 N 9.27 5.10 0.00 3.23 2.35 0.00 0.00 7.36 7.53 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 0.00 119 I 8.82 4.82 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 1.04 0.00 0.00 120 F 9.22 5.58 0.00 2.84 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 0.00 121 T 8.73 4.91 4.45 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 1.33 0.00 0.00 122 R 8.73 4.15 0.00 1.50 1.39 0.00 3.09 0.00 0.00 3.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 123 L 7.84 4.33 0.00 1.61 1.36 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.