NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4997 8.2649 122.4711 52.0839 20.1697 176.1035 2 T 4.2466 8.4764 118.4272 62.5445 70.1774 172.5090 3 K 5.3346 8.9801 125.1887 54.9301 37.3226 174.5613 4 A 5.3482 9.1727 123.7910 51.0854 23.5741 175.0629 5 V 5.0316 8.8295 117.2104 61.1365 35.3562 173.0929 6 C 4.9725 9.0896 121.8464 58.0799 35.6102 172.5915 7 V 4.5758 8.4636 126.0170 61.4507 33.1754 174.1801 8 L 4.8693 8.9421 129.4408 53.9428 43.1144 176.1890 9 K 4.8295 9.1674 122.6600 54.9713 36.6813 176.3986 10 G 4.5912 8.1490 109.6446 44.1220 0.0000 172.2571 11 D 4.8518 8.8263 121.4191 54.1643 42.0223 176.7198 12 G 4.0205 7.3685 110.8913 44.4596 0.0000 172.6922 13 P 4.3523 0.0000 0.0000 64.2653 31.8576 176.5664 14 V 4.5914 7.8533 119.1953 62.4707 31.9240 175.1053 15 Q 4.8527 8.4422 124.3384 55.6544 32.0120 173.1352 16 G 4.3331 8.4153 106.0266 45.9161 0.0000 172.1383 17 I 5.1628 8.1768 119.9555 59.3587 40.9911 174.8761 18 I 4.6385 8.7261 127.3631 59.4520 40.4747 174.3782 19 N 5.0043 8.3863 124.0103 51.3422 41.2799 173.8815 20 F 5.5036 8.9494 119.7349 55.9222 43.5325 173.7295 21 E 5.2577 9.5961 122.6264 54.9187 33.6639 173.5809 22 Q 4.7892 9.3854 127.6456 54.4790 31.5961 176.0414 23 K 4.1244 9.0856 126.8495 58.6754 32.8260 177.2307 24 E 4.7994 7.7418 114.6520 54.1475 32.5760 176.3477 25 S 4.2565 8.8780 117.0374 61.3691 62.9775 175.0271 26 N 4.6458 8.1689 114.8337 52.5706 37.6420 174.7764 27 G 4.0445 8.1003 108.9552 43.3809 0.0000 171.7405 28 P 4.6261 0.0000 0.0000 62.5346 32.3418 176.3930 29 V 4.4996 9.0690 123.0727 61.5573 33.4393 174.8777 30 K 4.8043 9.3850 128.6305 55.9035 33.6118 175.9192 31 V 4.9864 9.5890 126.5121 60.7758 34.0545 174.2675 32 W 6.1027 8.0348 123.9224 54.8594 31.9613 175.5537 33 G 3.7767 7.8047 106.8642 46.3723 0.0000 170.9731 34 S 5.0878 7.5196 113.0410 57.0359 67.1480 173.4157 35 I 5.0488 8.7887 121.8959 59.4743 41.0021 174.8047 36 K 4.7285 9.2995 125.4455 55.5663 36.0940 176.8750 37 G 3.7340 8.7592 105.7451 45.8948 0.0000 173.4252 38 L 4.5310 7.6084 119.7518 52.7907 43.2988 176.3924 39 T 4.2775 8.1391 110.9601 61.0513 69.5346 174.1217 40 E 4.1395 8.5962 124.7785 57.6523 30.5261 175.2407 41 G 3.8400 8.6109 110.7189 43.9569 0.0000 172.2269 42 L 4.8484 8.2306 119.1719 54.7794 42.9434 176.5284 43 H 5.0395 9.2022 119.3618 53.7419 33.1197 173.2808 44 G 4.0668 9.2313 111.2815 46.7296 0.0000 172.2341 45 F 5.7912 9.3510 125.4257 56.5668 42.5178 173.5779 46 R 4.9153 8.7646 121.6243 55.2676 33.6615 173.6622 47 V 4.6438 8.4373 119.9500 61.4931 33.4224 175.2000 48 Q 4.6961 8.9041 127.1491 54.6090 30.0742 175.6727 49 E 3.8536 8.9479 122.6403 58.7827 30.3128 177.2017 50 F 5.1135 7.7526 117.3668 55.9700 41.2363 176.2580 51 G 4.6013 8.4156 111.8668 44.0517 0.0000 174.2159 52 D 4.7435 7.9585 118.5034 52.8047 41.9510 174.9505 53 N 5.4118 8.7007 124.2104 52.3090 39.3358 176.3474 54 T 3.9536 8.3930 111.3874 63.8508 69.4490 174.1201 55 A 4.7469 7.8872 125.6508 51.6720 20.2852 176.1599 56 G 3.7397 7.8632 113.4180 48.0410 0.0000 177.2264 57 C 4.4877 8.6060 118.2902 58.8204 40.6159 175.5144 58 T 3.7358 7.7184 115.9117 65.5062 68.0182 175.1902 59 S 4.6475 7.9284 114.3865 57.8572 63.5905 175.3004 60 A 3.9783 7.8725 124.9781 53.1887 18.5943 179.2659 61 G 4.1532 7.3789 104.3927 43.9412 0.0000 171.3851 62 P 4.4811 0.0000 0.0000 62.3077 32.8085 175.8332 63 H 4.4947 8.4877 118.0407 55.8690 29.7678 175.6252 64 F 4.4525 8.7521 124.2016 57.7861 39.9362 175.3387 65 N 5.1211 7.8439 127.3005 51.3956 39.0163 173.0581 66 P 4.1181 0.0000 0.0000 65.3880 32.0284 177.8876 67 L 4.2641 7.6518 114.7904 53.9791 42.2206 176.2029 68 S 3.5535 7.6363 114.1018 59.6068 60.6067 171.3466 69 R 4.4642 8.0409 119.3414 54.5468 31.9434 174.8766 70 K 4.4485 8.0744 118.0793 55.6373 33.6467 176.4438 71 H 3.9439 8.3182 123.3826 56.9375 30.4354 175.0715 72 G 4.4162 7.9148 110.0564 45.8359 0.0000 172.5485 73 G 4.0832 8.9151 109.2512 43.7638 0.0000 173.3781 74 P 4.2969 0.0000 0.0000 64.7018 31.3695 177.7686 75 K 4.5128 7.8110 114.8802 56.3684 34.4663 176.4226 76 D 4.3284 8.2043 121.9839 55.1604 38.8731 179.0895 *79 R 4.2608 8.7844 117.2097 56.7737 31.2851 175.5183 80 H 4.6335 8.8009 116.6263 55.3071 29.4619 177.0378 81 V 3.4733 8.1397 121.6619 65.9455 31.4966 177.4807 82 G 3.7887 8.2343 107.4126 46.7068 0.0000 172.7489 83 D 4.7472 7.8578 119.6097 54.8342 39.9665 175.7159 84 L 4.6644 8.4065 123.4218 54.0211 43.2026 178.8399 85 G 4.0637 8.0861 106.7950 46.1548 0.0000 172.9506 86 N 5.6648 8.6538 120.3854 51.5254 42.0513 174.1374 87 V 4.4447 8.6555 114.6502 59.9790 35.3789 174.7251 88 T 5.0485 8.2738 118.3176 61.8695 71.3453 172.9628 89 A 4.9485 8.9618 128.9132 50.5300 21.5050 177.1548 90 D 4.8543 8.5823 121.1250 52.2744 41.5697 177.0726 91 K 4.0501 8.5418 117.1460 58.9685 32.0575 177.4682 92 D 4.6230 8.3029 117.1838 53.6473 41.3584 176.7827 93 G 4.1499 8.4306 108.1228 45.1090 0.0000 172.7326 94 V 4.8171 8.3968 120.2415 60.7487 33.6134 174.2230 95 A 5.3653 9.0340 130.0269 49.3729 21.1932 174.9798 96 D 4.6714 8.6954 122.9185 53.8407 42.5894 175.4778 97 V 4.1860 8.9529 125.7903 61.2280 33.7944 174.5194 98 S 4.9476 8.6331 122.8102 57.0872 64.1547 172.5110 99 I 4.7760 9.5672 127.8015 59.1755 41.3015 174.1133 100 E 5.1833 8.9383 126.3986 54.5079 31.7604 174.3537 101 D 5.0810 9.2725 126.7165 52.5402 44.4894 175.9197 102 S 4.7254 8.9637 118.3752 58.2528 63.9344 174.4982 103 V 4.0859 7.9682 120.8578 64.6310 32.3183 176.0428 104 I 4.1325 8.0625 111.9152 61.0977 38.3651 174.3587 105 S 4.5916 8.1625 113.2186 57.9724 64.8205 174.2897 106 L 4.4643 8.8648 122.8374 54.2437 41.6027 176.2267 107 S 4.4472 7.9470 112.5379 58.2877 66.4245 174.9138 108 G 3.8609 8.5532 108.8610 44.6604 0.0000 173.5641 109 D 4.4930 8.6390 116.9072 56.0653 39.6577 176.5427 110 H 4.9805 8.1078 115.4660 55.5304 28.9004 174.4342 111 C 4.3548 7.9833 120.8991 59.7421 31.8138 173.4684 112 I 3.9606 8.1472 118.6983 60.2713 38.1996 175.5927 113 I 3.7036 7.3484 123.1050 63.0189 37.4044 176.3177 114 G 3.8293 9.2883 114.0359 45.1310 0.0000 172.9788 115 R 4.7551 7.4882 118.8648 54.9820 33.4322 174.9577 116 T 4.8681 7.7787 115.6737 62.2969 70.3825 174.1622 117 L 4.7780 8.5984 128.8992 54.0526 44.0516 175.4268 118 V 5.0800 8.7621 125.2902 61.0700 35.3938 174.1313 119 V 5.1540 8.6585 126.3457 60.4945 33.8762 174.7472 120 H 5.2698 9.1171 121.2529 54.1716 30.6791 174.7823 121 E 4.1940 9.1827 121.4507 58.8744 30.1174 176.1971 122 K 4.8020 8.4697 117.4874 53.8109 36.2510 175.6033 123 A 4.4033 8.3259 123.1360 52.2552 18.8898 176.1885 124 D 4.9191 9.3348 122.6723 53.6731 41.3514 176.1441 125 D 4.5309 9.0870 125.7422 53.3429 39.9908 177.0324 126 L 3.4656 9.4386 119.6583 55.8825 39.5534 175.5721 127 G 4.0525 8.7310 104.7881 46.3593 0.0000 174.9361 128 K 4.4587 7.9137 116.2504 55.6539 32.6232 177.2454 129 G 3.7025 8.0313 109.2327 46.7906 0.0000 174.8442 *133 E 4.3469 8.4672 120.1672 55.8580 32.8296 178.4814 134 S 4.0548 8.0978 113.2510 61.5748 62.6500 175.2822 135 T 4.2488 7.8991 107.9803 61.6972 68.1468 174.2834 136 K 4.3265 7.3603 119.4455 57.3516 34.6189 176.0405 137 T 4.2396 8.5935 110.7799 60.8914 68.4553 175.4712 138 G 3.9603 8.3034 107.4784 46.1489 0.0000 173.6788 139 N 4.3101 7.9106 114.4286 54.1119 36.1510 175.3041 140 A 4.3476 7.1113 117.6303 51.3602 19.5262 179.9991 141 G 3.8508 7.3681 104.1952 45.5550 0.0000 173.9550 142 S 4.4344 8.5200 116.9298 58.5600 64.5465 174.0504 143 R 4.3029 8.3510 121.1038 55.7346 30.1720 176.5799 144 L 4.3492 9.0165 125.4191 57.3323 43.1705 176.8861 145 A 5.0829 7.5231 117.7215 51.5010 22.7729 173.9286 146 C 5.5922 8.3945 112.5631 56.4039 46.8555 172.7289 147 G 4.7206 7.9341 104.5841 46.3474 0.0000 172.3367 148 V 4.5143 8.2510 120.6586 61.9758 32.7205 175.5462 149 I 4.0762 8.8151 129.6940 61.2011 37.9611 175.3789 150 G 4.4815 9.1492 114.2457 43.9211 0.0000 172.1613 151 I 4.3587 8.2705 121.3419 61.2099 37.8573 175.2023 152 A 4.9371 8.7871 127.1450 50.2177 23.0137 176.1389 153 Q 4.1443 8.4414 115.5988 56.5318 28.9063 175.4356 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 A 8.26 4.50 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 2 T 8.48 4.25 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 1.23 0.00 0.00 3 K 8.98 5.33 0.00 1.90 1.73 0.00 1.73 0.00 0.00 1.99 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.50 7.81 4 A 9.17 5.35 1.18 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 5 V 8.83 5.03 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 0.71 0.00 0.00 0.94 0.00 0.00 6 C 9.09 4.97 0.00 3.16 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 7 V 8.46 4.58 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.94 4.87 0.00 1.72 1.60 1.07 0.35 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 9 K 9.17 4.83 0.00 1.65 1.63 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.15 4.59 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 0.00 0.00 0.00 11 D 8.83 4.85 0.00 2.67 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 12 G 7.37 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 13 P 0.00 4.35 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 14 V 7.85 4.59 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 0.95 0.00 0.00 15 Q 8.44 4.85 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 16 G 8.42 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 0.00 0.00 0.00 0.00 17 I 8.18 5.16 1.80 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 1.20 1.09 0.81 0.00 0.00 18 I 8.73 4.64 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.49 0.00 0.00 19 N 8.39 5.00 0.00 1.44 1.42 0.00 0.00 6.42 8.79 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 20 F 8.95 5.50 0.00 2.93 2.95 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 21 E 9.60 5.26 0.00 2.42 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 2.31 2.39 0.00 22 Q 9.39 4.79 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 23 K 9.09 4.12 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.45 7.81 24 E 7.74 4.80 0.00 2.09 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 2.27 2.40 0.00 25 S 8.88 4.26 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.65 0.00 2.83 2.92 0.00 0.00 5.91 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.10 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 0.00 0.00 0.00 28 P 0.00 4.63 0.00 1.99 2.04 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 9.07 4.50 2.24 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 1.30 0.00 0.00 1.04 0.00 0.00 30 K 9.39 4.80 0.00 1.86 1.81 0.00 1.55 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.42 7.81 31 V 9.59 4.99 2.20 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 0.81 0.00 0.00 1.16 0.00 0.00 32 W 8.03 6.10 0.00 3.47 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 33 G 7.80 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 34 S 7.52 5.09 0.00 3.82 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 35 I 8.79 5.05 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.88 0.00 0.00 36 K 9.30 4.73 0.00 1.72 1.88 0.00 1.35 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.34 7.81 37 G 8.76 3.73 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 0.00 0.00 0.00 38 L 7.61 4.53 0.00 1.79 1.40 0.78 0.25 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 39 T 8.14 4.28 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 1.24 0.00 0.00 40 E 8.60 4.14 0.00 1.96 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 2.30 2.42 0.00 41 G 8.61 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 0.00 0.00 0.00 42 L 8.23 4.85 0.00 1.50 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.20 5.04 0.00 3.03 3.30 0.00 5.63 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 44 G 9.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.35 5.79 0.00 3.04 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 46 R 8.76 4.92 0.00 2.07 2.02 0.00 2.95 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 47 V 8.44 4.64 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 0.79 0.00 0.00 0.85 0.00 0.00 48 Q 8.90 4.70 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 49 E 8.95 3.85 0.00 1.68 1.12 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 1.62 2.18 0.00 50 F 7.75 5.11 0.00 3.22 2.79 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 51 G 8.42 4.60 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 0.00 0.00 0.00 52 D 7.96 4.74 0.00 2.61 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 53 N 8.70 5.41 0.00 2.69 2.76 0.00 0.00 7.30 7.54 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 54 T 8.39 3.95 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 1.25 0.00 0.00 55 A 7.89 4.75 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 56 G 7.86 3.74 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 0.00 57 C 8.61 4.49 0.00 2.99 3.12 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 0.00 58 T 7.72 3.74 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 1.22 0.00 0.00 59 S 7.93 4.65 0.00 4.08 4.06 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 60 A 7.87 3.98 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 61 G 7.38 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 0.00 0.00 0.00 62 P 0.00 4.48 0.00 1.97 1.96 0.00 3.22 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 63 H 8.49 4.49 0.00 2.91 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.75 4.45 0.00 3.02 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 65 N 7.84 5.12 0.00 2.49 2.43 0.00 0.00 7.13 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 66 P 0.00 4.12 0.00 1.89 2.01 0.00 3.04 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 67 L 7.65 4.26 0.00 1.56 1.66 0.92 0.88 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 68 S 7.64 3.55 0.00 3.97 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 69 R 8.04 4.46 0.00 1.74 1.96 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 70 K 8.07 4.45 0.00 1.73 1.68 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.43 7.81 71 H 8.32 3.94 0.00 2.98 3.11 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.91 4.42 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 0.00 73 G 8.92 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 0.00 0.00 0.00 74 P 0.00 4.30 0.00 2.08 2.18 0.00 3.68 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 2.08 2.14 0.00 75 K 7.81 4.51 0.00 1.74 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.45 7.81 76 D 8.20 4.33 0.00 2.83 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 0.00 0.00 0.00 0.00 *79 R 8.78 4.26 0.00 1.99 2.02 0.00 2.83 0.00 0.00 3.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 80 H 8.80 4.63 0.00 3.25 3.36 0.00 5.65 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 81 V 8.14 3.47 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 0.67 0.00 0.00 0.36 0.00 0.00 82 G 8.23 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 83 D 7.86 4.75 0.00 2.79 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 84 L 8.41 4.66 0.00 1.83 1.86 0.85 1.48 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 85 G 8.09 4.06 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 0.00 0.00 0.00 86 N 8.65 5.66 0.00 2.60 2.72 0.00 0.00 6.61 7.68 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 87 V 8.66 4.44 1.88 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 0.05 0.00 0.00 0.85 0.00 0.00 88 T 8.27 5.05 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 89 A 8.96 4.95 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 90 D 8.58 4.85 0.00 2.91 2.85 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 0.00 0.00 0.00 91 K 8.54 4.05 0.00 1.77 1.91 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.40 7.81 92 D 8.30 4.62 0.00 2.78 2.68 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 93 G 8.43 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 0.00 0.00 0.00 94 V 8.40 4.82 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 0.99 0.00 0.00 0.92 0.00 0.00 95 A 9.03 5.37 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 96 D 8.70 4.67 0.00 2.67 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 97 V 8.95 4.19 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 0.80 0.00 0.00 0.57 0.00 0.00 98 S 8.63 4.95 0.00 3.89 3.73 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 99 I 9.57 4.78 2.01 0.00 0.00 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 1.19 0.96 1.02 0.00 0.00 100 E 8.94 5.18 0.00 1.97 1.84 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 2.21 2.31 0.00 101 D 9.27 5.08 0.00 2.88 2.54 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 0.00 102 S 8.96 4.73 0.00 4.03 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 0.00 103 V 7.97 4.09 2.23 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 0.86 0.00 0.00 0.95 0.00 0.00 104 I 8.06 4.13 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.03 0.00 0.00 105 S 8.16 4.59 0.00 3.90 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 0.00 106 L 8.86 4.46 0.00 1.80 1.65 1.05 0.98 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 0.00 107 S 7.95 4.45 0.00 3.92 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 0.00 108 G 8.55 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 0.00 109 D 8.64 4.49 0.00 2.87 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 H 8.11 4.98 0.00 3.18 3.50 0.00 5.73 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 0.00 111 C 7.98 4.35 0.00 3.02 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 0.00 112 I 8.15 3.96 1.61 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.24 0.97 0.00 0.00 113 I 7.35 3.70 1.78 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 1.22 0.40 0.84 0.00 0.00 114 G 9.29 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 0.00 0.00 0.00 115 R 7.49 4.76 0.00 1.59 1.84 0.00 2.21 0.00 0.00 2.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 116 T 7.78 4.87 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 1.24 0.00 0.00 117 L 8.60 4.78 0.00 1.77 1.54 0.52 0.77 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 0.00 118 V 8.76 5.08 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 0.82 0.00 0.00 0.90 0.00 0.00 119 V 8.66 5.15 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 0.70 0.00 0.00 1.00 0.00 0.00 120 H 9.12 5.27 0.00 3.28 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.18 4.19 0.00 2.08 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 0.00 2.36 2.33 0.00 122 K 8.47 4.80 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 123 A 8.33 4.40 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 0.00 124 D 9.33 4.92 0.00 2.62 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 0.00 125 D 9.09 4.53 0.00 2.93 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 0.00 126 L 9.44 3.47 0.00 1.86 1.83 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.73 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 0.00 128 K 7.91 4.46 0.00 1.88 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.50 7.81 129 G 8.03 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 0.00 0.00 0.00 *133 E 8.47 4.35 0.00 2.04 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 0.00 2.30 2.25 0.00 134 S 8.10 4.05 0.00 3.89 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 0.00 135 T 7.90 4.25 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 0.00 136 K 7.36 4.33 0.00 1.67 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.46 7.81 137 T 8.59 4.24 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 1.32 0.00 0.00 138 G 8.30 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 0.00 0.00 0.00 139 N 7.91 4.31 0.00 3.03 2.89 0.00 0.00 6.94 7.54 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 0.00 140 A 7.11 4.35 1.19 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 0.00 141 G 7.37 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.52 4.43 0.00 3.84 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 0.00 143 R 8.35 4.30 0.00 1.66 1.81 0.00 3.25 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 144 L 9.02 4.35 0.00 1.69 1.70 0.98 0.90 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 0.00 145 A 7.52 5.08 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 0.00 146 C 8.39 5.59 0.00 3.04 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 0.00 147 G 7.93 4.72 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 0.00 0.00 0.00 148 V 8.25 4.51 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 0.82 0.00 0.00 0.94 0.00 0.00 149 I 8.82 4.08 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.45 0.00 0.00 150 G 9.15 4.48 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 0.00 151 I 8.27 4.36 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.91 0.00 0.00 152 A 8.79 4.94 1.20 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 0.00 0.00 0.00 153 Q 8.44 4.14 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.