NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3040 8.4401 116.7459 55.2183 32.2969 175.1665 4 A 4.7813 7.7255 116.7583 50.0587 22.7435 170.2581 5 V 4.4639 9.1183 113.1671 59.4813 35.6429 173.6281 6 L 4.8417 8.4709 123.6177 53.4589 44.1776 176.1921 7 T 4.3747 10.0590 114.1789 60.8330 69.7968 174.7946 8 G 4.2620 6.9483 111.1190 44.7285 0.0000 171.1365 9 V 4.8709 7.7675 119.0501 60.8408 33.9589 174.4147 10 A 5.0731 9.1476 129.2470 50.3604 22.2000 174.9514 11 T 5.2108 8.2196 108.8465 60.4086 72.6718 172.6787 12 D 4.7186 8.7088 120.1186 52.6961 45.3296 175.4808 13 K 4.9794 8.6418 126.0694 56.7434 32.6214 176.4650 14 S 4.8125 8.5403 112.9581 59.2154 64.2797 173.0012 15 E 5.0532 8.0783 117.9961 54.9697 33.4530 174.7498 16 A 4.9009 8.9029 123.8941 50.1950 22.2152 175.8007 17 K 4.8785 8.6897 118.5057 54.9445 35.8475 175.2421 18 V 4.5430 7.9220 122.3354 60.3008 34.5415 174.0253 19 T 4.7821 8.2948 123.6290 61.7270 71.5358 173.1919 20 V 4.3797 8.7685 127.1600 61.3448 32.9780 174.4212 21 L 4.7310 8.7371 129.3334 54.1055 43.6908 177.5910 22 G 4.0053 9.3457 111.5835 46.6608 0.0000 173.0758 23 I 4.4947 7.7926 119.9501 60.2603 39.3815 175.2383 24 S 4.4640 8.8331 125.2718 58.6080 63.2770 174.7916 25 D 4.8711 8.4623 126.7772 52.5071 38.5634 175.3240 26 K 4.7165 7.6382 119.8639 53.8356 36.3446 174.9529 27 P 4.3060 0.0000 0.0000 64.5205 31.7791 176.7477 28 G 4.0985 8.9622 109.7753 45.8941 0.0000 175.6161 29 E 4.0639 7.9788 118.0082 59.3441 29.5071 178.9654 30 A 4.1056 8.0946 120.2213 54.9400 18.5196 179.1392 31 A 4.0501 8.1531 118.9167 55.4924 18.2919 179.7585 32 K 3.9544 7.8755 116.9115 59.5696 32.0008 179.7463 33 V 3.4605 7.3300 117.1254 66.1428 31.4166 178.0972 34 F 4.2431 7.7543 116.6637 59.6709 38.7305 177.9837 35 R 3.9020 8.2468 118.8463 59.0750 29.8762 178.2523 36 A 3.9919 7.7688 120.8409 55.2446 18.3630 179.6863 37 L 3.9364 7.6909 117.4088 57.6569 41.6256 179.4611 38 A 3.9872 8.2663 121.0165 55.5344 18.1534 179.5398 39 D 4.3568 8.2591 115.8444 56.8692 40.8105 177.6161 40 A 4.4602 7.6572 119.5989 51.1309 19.5209 176.9175 41 E 3.7433 7.9599 116.2652 58.5330 29.2562 175.4870 42 I 4.0695 7.7450 120.6136 61.2187 37.9915 175.7811 43 N 4.6072 8.6385 125.4184 52.2288 38.1533 174.2580 44 I 4.0073 7.9730 119.2998 61.2367 38.8628 173.1596 45 D 4.7619 9.1224 119.7266 55.4862 43.1312 175.7464 46 M 4.4327 8.0540 116.4940 55.1455 34.1106 175.7917 47 V 5.0024 8.2165 121.5353 61.1889 34.9845 174.3989 48 L 4.7372 9.2359 129.0491 53.7563 45.8074 174.4171 49 Q 4.8918 8.5347 126.5465 54.3380 31.9656 173.8277 50 N 4.7692 8.6980 125.0938 51.7751 40.8887 174.3578 51 V 3.8485 7.9646 113.3185 60.9197 32.1257 176.8059 52 S 4.5197 8.3345 117.8220 57.9365 63.9936 174.2946 53 S 4.3935 8.3198 116.7463 58.0573 63.6754 175.6503 54 V 3.6856 8.2891 121.9615 65.7517 31.7421 177.2879 55 E 4.1352 8.3509 116.9360 58.8285 29.5763 177.2259 56 D 4.6020 8.2273 117.7363 53.3926 42.5116 177.1643 57 G 3.9228 8.3809 106.5702 46.5437 0.0000 172.6611 58 T 5.1358 7.5209 108.2789 60.1139 72.7383 171.9766 59 T 4.8850 8.7188 115.3055 61.4625 71.3096 171.4077 60 D 5.4089 8.6350 123.5240 52.5480 43.9634 175.5308 61 I 4.8648 8.3520 123.3855 60.0371 39.7082 174.6295 62 T 5.1591 8.9814 124.7472 61.8518 71.0906 173.7812 63 F 5.6630 8.7398 119.6003 55.6878 42.1267 173.2317 64 T 5.5616 9.0839 109.4233 59.7854 72.0481 172.4531 65 C 5.1111 8.2592 115.7322 56.7960 33.3948 171.2685 66 P 4.7694 0.0000 0.0000 62.6337 31.7277 178.0074 67 R 4.0403 8.3858 120.5456 59.5248 29.7123 179.6072 68 S 4.1911 8.0684 112.6922 61.5674 63.2946 175.5378 69 D 4.7314 8.2199 120.2655 54.8531 40.7995 178.5446 70 G 3.9280 8.0626 107.7675 47.8269 0.0000 176.1791 71 R 3.3963 7.8090 119.7199 59.1000 30.2060 179.0214 72 R 3.9994 7.9382 117.6864 59.0224 30.0671 178.1206 73 A 4.0399 8.1393 120.7874 55.5051 18.3907 179.2838 74 M 3.9491 7.8443 116.9912 58.7525 31.9470 178.7619 75 E 3.9285 8.5940 119.5780 59.1369 29.5357 178.8770 76 I 3.7168 7.8536 119.3531 64.4636 37.5293 178.1582 77 L 4.3849 7.9838 119.7783 57.6293 41.0163 179.1722 78 K 3.9716 8.4709 120.0478 59.9148 31.8585 178.9447 79 K 4.0672 7.7425 116.8912 58.9707 32.0560 178.3631 80 L 4.3801 7.6915 118.2056 55.1283 42.7844 177.7910 81 Q 3.3406 7.4931 120.8667 56.8322 27.8554 174.3491 82 V 4.3690 7.2821 125.6090 61.7020 40.3000 174.3152 83 Q 4.5104 7.6102 117.0836 52.6346 29.7148 176.5175 84 G 3.2953 7.6298 107.3806 45.1163 0.0000 170.6990 *86 W 5.3396 8.2024 119.4053 56.9187 29.9948 175.4739 87 T 4.3014 8.7361 111.7259 64.4875 69.4886 173.9763 88 N 4.8049 7.7807 118.2207 52.7941 42.7670 173.0384 89 V 4.8770 8.3476 120.0981 61.1232 34.3585 174.3656 90 L 4.9199 9.0191 127.2385 53.2214 45.0144 174.5794 91 Y 4.9746 8.2800 120.4866 56.2791 42.2867 174.5797 92 D 4.1422 7.7115 124.5447 53.1300 44.5629 174.6528 93 D 4.8179 8.1897 125.2686 52.6697 40.5039 176.2070 94 Q 4.7345 8.2933 116.3150 55.9921 30.8950 175.4128 95 V 4.1714 7.9399 118.9102 61.5269 32.5828 175.5369 96 G 4.2393 9.4415 110.1285 44.3298 0.0000 171.2267 97 K 5.2490 9.0905 125.0559 54.3782 34.7043 175.3532 98 V 5.2444 8.5891 126.2010 60.2225 34.8944 174.5474 99 S 5.2911 9.0989 116.1609 57.3050 66.8843 172.4955 100 L 5.0528 9.0886 124.6713 53.5374 44.0636 175.1502 101 V 4.5974 8.6814 126.4426 60.6739 33.9635 175.5632 102 G 4.1753 7.9837 113.0404 46.3673 0.0000 171.6389 103 A 4.5821 8.1395 123.8578 52.3134 22.1762 176.4106 104 G 4.0644 8.7021 106.7200 47.1146 0.0000 175.6609 105 M 3.9802 7.8634 120.1315 56.4855 32.5887 179.0835 106 K 3.8249 8.0525 119.7235 59.3855 32.5409 177.9792 107 S 4.1792 7.5180 111.8908 60.4650 62.4581 173.1235 108 H 4.8701 7.6480 119.9614 52.8498 29.6940 171.6895 109 P 4.5546 0.0000 0.0000 64.2084 31.4456 178.2410 110 G 3.6103 7.7917 105.7966 47.4477 0.0000 175.8147 111 V 3.8654 7.5859 120.6619 66.4005 31.6384 178.1461 112 T 3.8904 7.9605 114.7528 66.5277 68.2686 176.1576 113 A 4.0133 7.8292 122.2574 55.4892 18.4440 179.5459 114 E 4.0212 8.8421 117.3086 59.3595 29.0817 179.3867 115 F 4.1460 8.9421 121.1657 61.8736 39.3993 177.2450 116 M 4.2889 8.3285 118.0853 58.4318 31.5986 178.6786 117 E 3.9915 8.7159 119.0496 58.9518 29.3384 179.2328 118 A 3.8570 8.0429 121.1007 55.2468 18.5164 179.7355 119 L 3.9428 7.5009 116.5072 57.1620 41.6627 179.7766 120 R 3.8875 7.7213 119.3491 59.5203 29.8368 178.2441 121 D 4.3253 7.6109 117.6117 57.3438 40.9064 177.7619 122 V 3.8065 7.3574 109.4416 61.2335 31.8240 175.1341 123 N 4.2672 7.8057 117.4446 54.7592 37.1941 174.0358 124 V 4.3379 7.9602 116.4422 59.3506 33.4697 174.8656 125 N 4.3969 8.6316 122.8734 53.1806 39.4043 174.2142 126 I 4.2087 8.2379 126.8973 60.5966 37.0493 175.2130 127 E 4.3473 8.6899 126.3438 58.1370 30.4688 176.9400 128 L 4.7134 7.6257 119.6038 53.8310 45.7966 174.4029 129 I 5.0272 8.0861 123.7086 60.0060 41.3351 175.3840 130 S 4.3984 8.9302 120.9156 58.1358 64.6929 173.0308 131 T 4.8478 8.1110 116.8718 60.2310 72.3863 172.3726 132 S 4.4981 8.5226 114.7459 57.5421 66.0609 175.0239 133 E 4.2543 8.7767 118.8463 58.8412 29.9165 178.6398 134 I 4.7253 7.7119 110.7206 59.5725 39.7255 175.3842 135 R 4.9643 7.8326 122.3690 55.2320 34.0872 173.4540 136 I 4.4019 8.6880 127.3656 59.8240 39.2282 174.6270 137 S 5.2413 8.2124 123.2501 56.8286 66.1447 174.0143 138 V 5.0272 8.7220 115.1732 59.9713 36.6540 173.8797 139 L 5.4145 8.4841 121.9709 53.3008 44.9509 175.7607 140 I 4.7648 8.6375 115.1462 59.4186 42.1039 174.2211 141 R 4.2354 8.5424 121.0863 55.9643 30.6445 178.0100 142 E 4.0034 9.0457 120.7598 59.5477 29.6339 179.1754 143 D 4.4025 8.0205 117.8958 56.7336 41.2411 177.0388 144 D 4.7152 8.0192 117.9758 54.2490 40.8614 177.9223 145 L 3.9610 7.8017 123.6499 58.3843 42.0423 178.7497 146 D 4.3776 8.0570 118.1891 57.1214 40.7612 178.3613 147 A 3.9483 7.9851 120.7252 54.9341 18.3481 179.4781 148 A 3.7961 8.0072 118.9457 55.2567 18.5950 179.5942 149 A 3.8922 7.9267 119.3201 55.3808 18.3786 179.7681 150 R 3.8649 8.2453 116.9955 59.5545 30.1696 178.5630 151 A 3.9208 7.7580 120.3531 55.2040 18.3622 179.6603 152 L 3.9717 8.0508 117.5757 58.0905 41.6479 179.4411 153 H 4.2333 8.2950 116.2095 58.8505 28.4298 177.7070 154 E 3.9275 8.1467 119.1864 59.6178 29.4710 178.8962 155 Q 3.8821 8.2767 118.3646 58.3567 29.1223 177.3387 156 F 4.9567 7.8475 115.6381 55.3763 40.5118 173.7114 157 Q 3.5105 8.1957 123.1318 56.0057 27.0246 173.1386 158 L 4.3622 8.0703 122.0118 54.7175 42.8414 176.4375 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 E 8.44 4.30 0.00 2.01 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 0.00 2.13 1.89 0.00 4 A 7.73 4.78 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 5 V 9.12 4.46 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 0.70 0.00 0.00 0.99 0.00 0.00 6 L 8.47 4.84 0.00 1.38 1.41 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 T 10.06 4.37 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 8 G 6.95 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 0.00 0.00 0.00 0.00 9 V 7.77 4.87 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 0.82 0.00 0.00 0.87 0.00 0.00 10 A 9.15 5.07 1.22 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 0.00 0.00 11 T 8.22 5.21 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 1.23 0.00 0.00 12 D 8.71 4.72 0.00 2.82 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 13 K 8.64 4.98 0.00 1.74 1.81 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.34 7.81 14 S 8.54 4.81 0.00 3.94 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 15 E 8.08 5.05 0.00 1.82 1.91 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 2.22 2.49 0.00 16 A 8.90 4.90 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 17 K 8.69 4.88 0.00 1.75 1.79 0.00 1.17 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.20 7.81 18 V 7.92 4.54 0.67 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 1.22 0.00 0.00 0.87 0.00 0.00 19 T 8.29 4.78 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 1.16 0.00 0.00 20 V 8.77 4.38 1.73 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 -0.08 0.00 0.00 0.58 0.00 0.00 21 L 8.74 4.73 0.00 1.67 1.58 0.93 0.65 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 22 G 9.35 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.79 4.49 1.72 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 1.34 1.64 0.96 0.00 0.00 24 S 8.83 4.46 0.00 3.87 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 25 D 8.46 4.87 0.00 2.73 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 26 K 7.64 4.72 0.00 1.93 1.85 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.48 7.81 27 P 0.00 4.31 0.00 2.08 2.06 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 28 G 8.96 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 0.00 0.00 0.00 29 E 7.98 4.06 0.00 2.12 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 2.48 2.71 0.00 30 A 8.09 4.11 1.47 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 0.00 0.00 31 A 8.15 4.05 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 32 K 7.88 3.95 0.00 2.09 2.01 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.72 7.81 33 V 7.33 3.46 1.51 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 0.17 0.00 0.00 0.57 0.00 0.00 34 F 7.75 4.24 0.00 3.12 2.94 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 35 R 8.25 3.90 0.00 2.02 2.05 0.00 3.20 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 1.65 1.71 0.00 36 A 7.77 3.99 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 37 L 7.69 3.94 0.00 1.60 1.68 0.23 0.72 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 38 A 8.27 3.99 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 39 D 8.26 4.36 0.00 2.84 2.76 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 0.00 0.00 0.00 0.00 40 A 7.66 4.46 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 41 E 7.96 3.74 0.00 2.17 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 0.00 2.25 2.27 0.00 42 I 7.75 4.07 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.99 0.00 0.00 43 N 8.64 4.61 0.00 2.69 2.78 0.00 0.00 7.24 7.94 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 44 I 7.97 4.01 2.08 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.82 0.00 0.00 45 D 9.12 4.76 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.43 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 47 V 8.22 5.00 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 0.79 0.00 0.00 0.68 0.00 0.00 48 L 9.24 4.74 0.00 1.71 1.46 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.53 4.89 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 50 N 8.70 4.77 0.00 2.72 2.72 0.00 0.00 7.24 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 51 V 7.96 3.85 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 0.79 0.00 0.00 0.94 0.00 0.00 52 S 8.33 4.52 0.00 4.19 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 53 S 8.32 4.39 0.00 4.07 4.04 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 54 V 8.29 3.69 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 nan 0.00 0.00 0.94 0.00 0.00 55 E 8.35 4.14 0.00 2.12 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 0.00 2.28 2.34 0.00 56 D 8.23 4.60 0.00 2.70 2.76 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 0.00 0.00 0.00 0.00 57 G 8.38 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 66 P 0.00 4.77 0.00 2.38 2.05 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 67 R 8.39 4.04 0.00 1.93 2.04 0.00 3.14 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 68 S 8.07 4.19 0.00 4.05 4.03 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 69 D 8.22 4.73 0.00 2.95 2.80 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 0.00 0.00 0.00 70 G 8.06 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 71 R 7.81 3.40 0.00 1.84 1.88 0.00 2.89 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 72 R 7.94 4.00 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 73 A 8.14 4.04 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.84 3.95 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 75 E 8.59 3.93 0.00 2.15 1.93 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 2.29 2.39 0.00 76 I 7.85 3.72 2.12 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 1.69 0.94 0.95 0.00 0.00 77 L 7.98 4.38 0.00 1.76 1.84 0.89 0.79 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 78 K 8.47 3.97 0.00 2.12 1.86 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 79 K 7.74 4.07 0.00 1.90 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.60 7.81 80 L 7.69 4.38 0.00 2.04 2.08 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.49 3.34 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.48 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 82 V 7.28 4.37 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 0.68 0.00 0.00 0.93 0.00 0.00 83 Q 7.61 4.51 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 84 G 7.63 3.30 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 0.00 *86 W 8.20 5.34 0.00 3.42 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 87 T 8.74 4.30 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 1.27 0.00 0.00 88 N 7.78 4.80 0.00 2.83 2.70 0.00 0.00 6.58 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 89 V 8.35 4.88 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 0.90 0.00 0.00 0.96 0.00 0.00 90 L 9.02 4.92 0.00 1.56 1.53 0.91 0.46 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 91 Y 8.28 4.97 0.00 2.79 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 92 D 7.71 4.14 0.00 2.61 2.40 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 93 D 8.19 4.82 0.00 2.60 2.29 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 94 Q 8.29 4.73 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 95 V 7.94 4.17 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 0.66 0.00 0.00 0.93 0.00 0.00 96 G 9.44 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 0.00 0.00 0.00 0.00 97 K 9.09 5.25 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 98 V 8.59 5.24 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 0.87 0.00 0.00 0.98 0.00 0.00 99 S 9.10 5.29 0.00 3.91 3.96 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 0.00 100 L 9.09 5.05 0.00 2.06 1.66 0.64 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.55 0.00 2.29 2.28 0.00 3.77 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 2.05 2.03 0.00 110 G 7.79 3.61 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 0.00 0.00 0.00 111 V 7.59 3.87 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 0.99 0.00 0.00 112 T 7.96 3.89 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 1.20 0.00 0.00 113 A 7.83 4.01 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 0.00 114 E 8.84 4.02 0.00 2.36 1.85 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 0.00 2.25 2.43 0.00 115 F 8.94 4.15 0.00 3.49 3.28 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 0.00 116 M 8.33 4.29 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.08 0.00 117 E 8.72 3.99 0.00 2.09 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 2.32 2.45 0.00 118 A 8.04 3.86 1.15 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 0.00 119 L 7.50 3.94 0.00 1.74 1.72 0.57 0.78 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 0.00 120 R 7.72 3.89 0.00 1.92 2.09 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 121 D 7.61 4.33 0.00 2.60 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 0.00 122 V 7.36 3.81 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 0.58 0.00 0.00 1.00 0.00 0.00 123 N 7.81 4.27 0.00 2.88 2.91 0.00 0.00 6.98 7.70 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 0.00 124 V 7.96 4.34 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 0.77 0.00 0.00 0.96 0.00 0.00 125 N 8.63 4.40 0.00 2.69 2.76 0.00 0.00 7.14 7.94 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 0.00 126 I 8.24 4.21 1.92 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 1.51 0.73 1.00 0.00 0.00 127 E 8.69 4.35 0.00 2.00 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 2.31 2.41 0.00 128 L 7.63 4.71 0.00 1.66 1.43 0.91 0.88 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 0.00 129 I 8.09 5.03 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.83 0.00 0.00 130 S 8.93 4.40 0.00 3.85 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 0.00 131 T 8.11 4.85 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 1.04 0.00 0.00 132 S 8.52 4.50 0.00 3.94 3.96 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 0.00 133 E 8.78 4.25 0.00 1.92 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 2.38 2.30 0.00 134 I 7.71 4.73 1.94 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 1.06 1.67 0.89 0.00 0.00 135 R 7.83 4.96 0.00 1.88 1.69 0.00 3.01 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 136 I 8.69 4.40 1.33 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 -0.23 0.00 0.00 137 S 8.21 5.24 0.00 3.86 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 0.00 138 V 8.72 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 0.73 0.00 0.00 1.22 0.00 0.00 139 L 8.48 5.41 0.00 1.60 1.52 0.91 0.64 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 0.00 140 I 8.64 4.76 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 1.35 0.79 1.03 0.00 0.00 141 R 8.54 4.24 0.00 1.85 1.88 0.00 3.40 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 142 E 9.05 4.00 0.00 2.12 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 0.00 2.37 2.28 0.00 143 D 8.02 4.40 0.00 2.68 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 0.00 144 D 8.02 4.72 0.00 2.88 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 0.00 145 L 7.80 3.96 0.00 2.05 1.66 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.06 4.38 0.00 2.80 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 0.00 147 A 7.99 3.95 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 0.00 148 A 8.01 3.80 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 0.00 149 A 7.93 3.89 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 0.00 150 R 8.25 3.86 0.00 2.06 1.93 0.00 3.15 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 1.62 1.69 0.00 151 A 7.76 3.92 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 0.00 152 L 8.05 3.97 0.00 1.78 1.79 0.71 0.33 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 0.00 153 H 8.30 4.23 0.00 3.37 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.15 3.93 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 2.33 2.45 0.00 155 Q 8.28 3.88 0.00 1.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 156 F 7.85 4.96 0.00 3.22 3.01 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 0.00 0.00 0.00 157 Q 8.20 3.51 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 158 L 8.07 4.36 0.00 1.83 1.60 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.