NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.0978 8.3444 121.7062 55.9502 29.6577 174.0084 3 N 4.3630 8.0132 124.3715 51.2650 40.8075 173.8404 4 A 3.5914 9.0556 127.1113 55.6951 19.3899 179.5293 5 D 4.2531 8.1101 116.0001 56.8578 40.8971 178.6015 6 D 4.1811 7.9858 120.3508 57.1472 40.8128 178.6274 7 F 4.1754 7.8543 117.9467 60.5933 39.1157 177.4636 8 I 3.6247 7.5215 112.2894 64.7312 36.9849 177.1170 9 K 3.8726 7.9861 121.3087 57.6479 31.5495 178.3540 10 F 4.1665 7.8769 120.4185 60.9359 39.3243 177.5915 11 L 4.0622 7.8809 117.3038 55.4871 41.6851 176.5786 12 E 3.6834 8.1433 117.3577 57.1733 26.7369 174.8484 13 L 4.2174 8.1526 118.8992 55.1656 41.9194 178.4215 14 E 4.5696 8.7352 127.1604 56.0493 32.4640 174.5448 15 Q 4.9132 8.8172 123.5603 55.6641 31.9947 175.5551 16 H 4.9570 8.8115 125.0665 54.1291 31.6355 176.3341 17 V 3.6987 8.4233 125.3400 64.1656 31.6833 176.9276 18 E 4.2472 9.0730 117.8994 56.7349 30.3538 175.3764 19 G 4.2748 7.7522 103.9709 44.2545 0.0000 174.1302 20 G 3.2432 7.9319 111.0294 44.4437 0.0000 172.0094 21 F 5.5601 8.0452 116.2875 55.0448 42.0218 174.9337 22 Y 5.8144 8.1555 118.6587 54.7642 42.6185 173.5223 23 R 4.0557 8.3664 113.1729 55.3848 33.3648 173.5815 24 S 4.4962 9.0683 123.9841 59.5653 62.8520 174.1741 25 S 4.2997 8.5498 120.7299 60.4714 63.7677 173.8490 26 Y 4.9185 7.7278 116.6003 56.0280 43.0812 173.5960 27 R 4.3471 8.2376 119.0823 54.9630 32.8414 174.4083 28 S 3.4981 6.2236 121.5476 58.8337 62.4294 173.9416 29 E 4.3077 8.4767 122.1032 57.3111 30.6423 177.1095 30 T 4.0643 7.5827 115.8035 63.0893 69.1382 174.1323 31 A 4.9106 8.2324 127.4027 51.3886 20.2795 176.9061 32 F 4.9878 8.9374 119.4286 58.7885 41.4290 174.0186 33 D 4.6027 7.6903 117.2926 52.2300 44.7486 173.0974 34 P 4.3145 0.0000 0.0000 65.0951 30.7151 176.9050 35 S 4.4703 7.2177 111.1703 58.9783 64.7719 173.9453 36 R 4.0581 7.7779 117.8267 56.4105 31.2866 175.5457 37 Q 4.6090 8.6916 121.4089 54.6351 30.3573 176.1760 38 L 3.9915 8.1293 124.4730 58.4294 42.6871 177.0643 39 W 5.5315 7.5798 112.2446 56.7032 30.9208 173.6946 40 S 5.1390 9.0663 115.5088 57.0936 65.2918 173.2273 41 S 5.6541 9.5388 117.9686 55.9476 65.8365 172.5606 42 I 4.9644 7.9539 115.9185 60.0903 41.6216 172.5289 43 Y 5.1223 8.7396 118.4990 56.4253 41.2955 175.2980 44 F 5.2066 9.9863 125.3768 56.6990 42.6355 172.9518 45 L 5.2198 9.0865 128.7899 53.2713 45.1744 174.9478 46 L 4.7998 8.7563 123.5359 53.2774 45.6280 176.4523 47 R 5.2698 8.1958 123.0117 54.8059 32.3701 175.0900 48 T 4.0756 8.7698 112.3548 66.9439 68.6367 176.7660 49 G 4.1471 7.8378 108.3579 45.9864 0.0000 173.0476 50 E 4.7678 8.0194 118.0022 54.3438 32.0658 176.0824 51 V 4.7064 7.8347 113.8026 60.2158 36.8716 173.2474 52 S 5.0458 9.6841 119.8765 57.3774 63.3805 173.3039 53 H 4.7949 8.6202 125.3173 55.3928 29.7487 174.6068 54 F 4.7086 8.6047 121.6548 58.5288 39.8857 174.1504 55 H 5.4791 9.4339 119.1419 53.5720 32.5666 172.3141 56 R 5.1966 9.0997 118.5431 54.7197 33.0969 174.1613 57 L 5.8426 8.7042 123.7378 52.9228 45.3242 176.5792 58 T 4.8680 8.3492 113.8197 63.4621 69.8586 173.6998 59 A 4.8642 7.6108 121.9136 50.4762 22.5741 176.0983 60 D 4.7122 8.6407 118.5684 54.7869 42.7019 175.5670 61 E 4.7065 8.3956 119.7618 54.9179 34.0910 173.2218 *63 W 5.0888 8.4315 117.9102 57.1268 30.7936 174.1270 64 Y 5.0564 8.9504 122.7642 56.1680 40.2440 174.6354 65 F 4.8266 8.8479 126.4957 57.8735 39.7863 174.8243 66 H 4.6624 8.1157 123.1424 57.0955 29.7481 175.3091 67 A 3.9547 6.7268 117.0764 51.9955 22.8047 175.4184 68 G 3.4667 9.0892 103.7013 44.1140 0.0000 173.4553 69 Q 4.4315 8.2220 123.0555 55.1454 29.4219 176.7279 70 S 4.0025 8.6896 118.6799 58.6516 64.2397 173.2858 71 L 4.8797 8.8354 121.8927 53.3877 45.4859 174.9819 72 T 4.7906 8.3862 115.0960 62.0413 71.9623 173.5330 73 I 4.4001 8.2150 127.4484 59.9201 39.5551 174.6087 74 Y 4.8206 8.8030 123.2974 56.1014 42.1502 175.0014 *76 I 3.9366 8.0712 120.1931 60.8186 38.6179 175.9768 77 S 4.3361 8.5436 122.8954 57.2359 63.3868 173.8707 78 P 4.5956 0.0000 0.0000 65.9519 30.9184 176.8347 79 E 4.2496 8.2030 116.6884 56.3702 29.0379 177.2657 80 G 3.9859 8.5903 106.5781 45.8226 0.0000 173.3988 81 E 4.3557 7.8212 121.0705 54.4653 30.6317 174.6558 82 L 4.5871 8.2712 127.7939 53.9455 43.4243 175.1635 83 T 4.8234 8.1750 119.4157 60.5401 70.7514 172.1762 84 T 4.7972 8.0532 115.3846 60.2494 72.5415 172.3358 85 A 4.1007 7.7607 119.4456 50.9760 23.0422 175.7481 86 Q 4.5957 8.2565 121.0203 54.1493 30.6209 174.2173 87 L 4.6520 8.4151 127.5452 52.8718 43.6360 176.7404 88 G 2.8058 6.9811 111.4220 46.4797 0.0000 171.5330 89 L 4.4569 7.5980 118.1171 54.3288 42.3626 176.2024 90 D 4.3642 7.9137 119.0104 54.2264 40.5625 176.6077 91 L 3.9652 8.5208 127.5610 57.5917 42.1747 178.4751 92 A 3.9604 8.2582 120.0396 54.9259 18.1212 177.2695 93 A 4.4788 7.7669 116.2895 50.6023 21.2671 177.3073 94 G 3.8578 8.2181 106.9944 45.6006 0.0000 174.0218 95 E 4.7586 7.6799 116.3799 54.4058 31.9532 177.5174 96 R 4.6090 8.7509 125.2374 53.7207 32.7747 174.6579 97 P 4.5536 0.0000 0.0000 65.1877 32.4971 175.6037 98 Q 5.6341 7.5269 115.6627 52.9654 32.9355 174.2838 99 F 4.2902 7.9445 118.8692 57.6643 42.1110 172.3329 100 L 4.7570 7.2412 126.5910 53.1526 43.9392 175.7098 101 V 4.2229 8.4663 127.1957 59.1012 32.3964 173.6632 102 P 4.7295 0.0000 0.0000 62.3907 32.2911 175.9008 103 K 4.0975 9.5781 123.2487 58.3519 32.6096 176.0714 104 G 4.1721 8.2036 112.4445 45.9214 0.0000 174.1191 105 C 4.5786 7.2083 113.4413 57.2854 31.1558 173.7707 106 I 4.5718 7.8171 122.4861 60.8585 37.4676 175.2824 107 F 5.5674 9.7449 121.6949 55.8412 42.1925 173.5114 108 G 4.1810 9.0312 105.5574 46.0304 0.0000 171.1317 109 S 5.4454 9.3295 111.9212 57.3795 66.4518 173.3416 110 A 4.4534 8.4897 129.6320 51.9771 23.5517 177.5444 *112 N 4.6120 9.1720 113.4357 55.2804 39.9037 174.5798 113 Q 4.5393 7.7155 116.1953 54.4787 31.4039 174.4690 114 D 4.8316 8.1896 119.1866 53.5836 43.7049 177.1108 115 G 4.3839 8.7748 107.3683 44.1940 0.0000 176.5632 116 F 5.8934 9.0443 118.6358 55.1690 41.8316 172.3965 117 S 4.4536 8.5390 114.9935 57.2949 67.2594 172.6728 118 L 4.9290 8.2346 127.8711 53.2505 43.7933 175.3413 119 V 4.8334 9.2452 125.8161 61.1980 35.6290 174.3854 120 G 4.6121 9.1315 112.8399 45.4953 0.0000 172.3398 121 C 5.0567 8.2709 118.0295 57.9403 33.5746 173.4540 *123 V 3.6389 8.1677 117.6306 62.5690 31.6338 175.7866 124 S 3.7909 9.0508 117.8100 62.2338 62.4636 171.3698 125 P 4.0056 0.0000 0.0000 63.9736 32.3613 176.7396 126 G 3.9431 8.8171 112.0297 44.4782 0.0000 173.1485 127 F 4.1782 8.8540 129.7562 58.5447 40.0555 174.1456 128 T 4.6581 7.5194 115.3362 60.9397 71.8905 173.2909 129 F 4.9609 8.4289 120.3407 57.3215 38.2232 176.1924 130 D 4.8929 7.9816 116.5484 53.8815 43.8752 176.4807 131 D 5.1546 7.9843 118.1052 52.5478 42.9038 174.6865 132 F 5.3609 8.1805 120.8793 56.3652 42.0363 174.0611 133 E 4.3627 8.1918 125.8055 54.2688 32.9887 173.5096 134 L 4.7224 8.0365 127.8833 53.1650 44.5964 175.1346 135 F 5.0605 8.1811 122.5355 55.5177 42.0768 175.1824 136 S 4.4680 8.8727 117.7869 57.6867 64.2573 174.7710 137 Q 3.9354 8.5514 125.2456 59.7503 28.6440 179.4407 138 E 3.9519 8.2553 119.3767 59.1133 29.5154 178.4775 139 A 4.0397 8.1379 120.6653 54.9509 18.6177 179.0601 140 L 4.1306 7.9192 114.6049 56.3670 41.9967 178.2554 141 L 4.4597 7.3543 118.3137 56.1021 42.2345 178.2838 142 A 4.0945 7.2856 116.5250 53.2239 16.6995 177.1589 *144 Y 4.9114 7.7167 116.1622 58.1812 39.6190 175.9124 145 P 4.5608 0.0000 0.0000 65.6677 31.6854 178.6160 146 Q 4.1388 7.4839 111.7438 57.3026 28.0338 175.8903 147 H 4.9974 8.2638 115.2020 55.0022 30.4916 175.3995 148 K 3.8580 8.7624 121.9253 60.7359 32.0540 176.6342 149 A 3.8677 8.3987 119.4858 55.9618 17.6861 179.2959 150 V 3.4548 7.7176 116.7309 63.8229 31.6307 178.3753 151 V 3.9908 8.1724 118.1927 64.8571 31.5493 176.8055 152 Q 4.4018 7.8905 115.9650 56.9409 29.4485 177.2015 153 K 4.1154 7.9535 119.5013 57.9145 32.5258 176.9228 154 L 4.5816 7.1076 118.2267 53.9431 42.3233 175.7787 155 S 4.8777 7.6640 113.0909 56.6816 66.8219 173.6428 156 R 4.3154 8.3551 120.5429 54.2257 30.5666 176.4090 157 P 4.5274 0.0000 0.0000 62.9499 30.1555 176.0378 158 E 4.1332 8.1316 121.7335 57.9871 29.6091 175.1657 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.34 4.10 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 3 N 8.01 4.36 0.00 2.80 2.74 0.00 0.00 7.00 7.16 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 4 A 9.06 3.59 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 5 D 8.11 4.25 0.00 2.57 2.58 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 6 D 7.99 4.18 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.85 4.18 0.00 3.29 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 8 I 7.52 3.62 1.40 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.45 0.68 0.00 0.00 9 K 7.99 3.87 0.00 1.71 1.48 0.00 1.34 0.00 0.00 1.00 0.00 0.00 2.57 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.96 1.20 7.81 10 F 7.88 4.17 0.00 3.08 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 11 L 7.88 4.06 0.00 1.64 1.45 0.31 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.14 3.68 0.00 2.07 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 2.18 2.43 0.00 13 L 8.15 4.22 0.00 1.38 1.67 0.93 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 14 E 8.74 4.57 0.00 1.53 1.79 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 2.00 2.13 0.00 15 Q 8.82 4.91 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 16 H 8.81 4.96 0.00 3.46 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.42 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 0.73 0.00 0.00 0.99 0.00 0.00 18 E 9.07 4.25 0.00 2.23 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 0.00 2.14 2.26 0.00 19 G 7.75 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 0.00 0.00 0.00 0.00 20 G 7.93 3.24 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 21 F 8.05 5.56 0.00 2.94 3.11 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 22 Y 8.16 5.81 0.00 3.31 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.37 4.06 0.00 1.80 1.93 0.00 3.35 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 24 S 9.07 4.50 0.00 3.79 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 25 S 8.55 4.30 0.00 3.68 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.73 4.92 0.00 3.22 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 27 R 8.24 4.35 0.00 1.68 1.57 0.00 3.25 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.63 0.00 28 S 6.22 3.50 0.00 2.72 3.07 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 29 E 8.48 4.31 0.00 1.94 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 2.20 2.23 0.00 30 T 7.58 4.06 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 1.26 0.00 0.00 31 A 8.23 4.91 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 32 F 8.94 4.99 0.00 2.91 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 33 D 7.69 4.60 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.03 2.10 0.00 3.61 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 2.00 2.04 0.00 35 S 7.22 4.47 0.00 3.99 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 36 R 7.78 4.06 0.00 2.01 2.26 0.00 3.22 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 37 Q 8.69 4.61 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 38 L 8.13 3.99 0.00 1.81 1.73 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.58 5.53 0.00 3.35 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 40 S 9.07 5.14 0.00 3.90 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 41 S 9.54 5.65 0.00 4.00 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 42 I 7.95 4.96 2.04 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 1.51 0.83 0.91 0.00 0.00 43 Y 8.74 5.12 0.00 3.10 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 44 F 9.99 5.21 0.00 2.90 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 45 L 9.09 5.22 0.00 1.73 1.63 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.76 4.80 0.00 1.65 1.55 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.20 5.27 0.00 2.07 2.00 0.00 3.18 0.00 0.00 3.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 48 T 8.77 4.08 4.31 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 1.30 0.00 0.00 49 G 7.84 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 50 E 8.02 4.77 0.00 2.18 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 2.21 2.28 0.00 51 V 7.83 4.71 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 0.98 0.00 0.00 52 S 9.68 5.05 0.00 4.13 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 53 H 8.62 4.79 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.60 4.71 0.00 3.14 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 55 H 9.43 5.48 0.00 2.84 3.27 0.00 5.40 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.10 5.20 0.00 2.25 2.09 0.00 3.26 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 57 L 8.70 5.84 0.00 1.91 1.89 1.38 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.35 4.87 4.44 0.00 0.00 0.00 0.00 0.00 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 59 A 7.61 4.86 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 60 D 8.64 4.71 0.00 2.65 2.58 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 61 E 8.40 4.71 0.00 2.22 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 2.49 2.43 0.00 *63 W 8.43 5.09 0.00 3.44 3.32 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 64 Y 8.95 5.06 0.00 2.84 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 65 F 8.85 4.83 0.00 3.20 3.07 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 66 H 8.12 4.66 0.00 2.99 3.15 0.00 5.81 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 67 A 6.73 3.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.09 3.47 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 0.00 69 Q 8.22 4.43 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 70 S 8.69 4.00 0.00 3.77 3.68 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 71 L 8.84 4.88 0.00 1.69 1.82 1.34 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.39 4.79 4.09 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 0.00 0.00 0.23 0.00 0.00 73 I 8.21 4.40 1.27 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.60 0.69 0.00 0.00 74 Y 8.80 4.82 0.00 3.00 2.98 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 0.00 0.00 0.00 *76 I 8.07 3.94 1.14 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 -0.31 0.00 0.00 77 S 8.54 4.34 0.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.60 0.00 2.22 2.26 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 79 E 8.20 4.25 0.00 1.96 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 2.31 2.37 0.00 80 G 8.59 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 81 E 7.82 4.36 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 82 L 8.27 4.59 0.00 1.22 1.49 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.18 4.82 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 84 T 8.05 4.80 3.87 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 1.07 0.00 0.00 85 A 7.76 4.10 -0.14 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 0.00 0.00 86 Q 8.26 4.60 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 87 L 8.42 4.65 0.00 1.70 1.52 1.16 1.18 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 88 G 6.98 2.81 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 89 L 7.60 4.46 0.00 1.59 1.70 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.91 4.36 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 91 L 8.52 3.97 0.00 1.67 1.70 0.92 0.84 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 92 A 8.26 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.77 4.48 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 94 G 8.22 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 95 E 7.68 4.76 0.00 1.98 1.76 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 2.07 2.09 0.00 96 R 8.75 4.61 0.00 1.87 1.94 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 97 P 0.00 4.55 0.00 2.19 2.22 0.00 3.61 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 2.16 2.16 0.00 98 Q 7.53 5.63 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 1.85 2.16 0.00 99 F 7.94 4.29 0.00 2.90 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 0.00 100 L 7.24 4.76 0.00 1.37 1.10 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.47 4.22 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 -0.49 0.00 0.00 102 P 0.00 4.73 0.00 2.05 2.12 0.00 3.55 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 1.95 1.88 0.00 103 K 9.58 4.10 0.00 1.76 1.96 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.40 7.81 104 G 8.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.21 4.58 0.00 2.88 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 0.00 106 I 7.82 4.57 1.46 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.32 0.61 0.00 0.00 107 F 9.74 5.57 0.00 3.22 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 0.00 108 G 9.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.33 5.45 0.00 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.49 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 N 9.17 4.61 0.00 2.64 2.90 0.00 0.00 6.68 7.69 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 0.00 113 Q 7.72 4.54 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 114 D 8.19 4.83 0.00 2.72 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 0.00 115 G 8.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 5.89 0.00 3.23 3.11 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 0.00 117 S 8.54 4.45 0.00 3.82 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 0.00 118 L 8.23 4.93 0.00 1.29 0.97 0.75 -0.37 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 0.00 119 V 9.25 4.83 2.34 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 0.94 0.00 0.00 1.30 0.00 0.00 120 G 9.13 4.61 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 0.00 121 C 8.27 5.06 0.00 2.55 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 *123 V 8.17 3.64 2.32 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 1.41 0.00 0.00 1.13 0.00 0.00 124 S 9.05 3.79 0.00 3.91 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 0.00 125 P 0.00 4.01 0.00 2.01 2.11 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.66 0.00 126 G 8.82 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 0.00 0.00 0.00 127 F 8.85 4.18 0.00 3.05 2.81 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 0.00 128 T 7.52 4.66 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 1.28 0.00 0.00 129 F 8.43 4.96 0.00 3.19 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 0.00 130 D 7.98 4.89 0.00 2.59 2.65 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 0.00 131 D 7.98 5.15 0.00 2.04 2.43 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 0.00 132 F 8.18 5.36 0.00 3.02 3.18 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 0.00 133 E 8.19 4.36 0.00 1.89 1.45 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 1.47 1.76 0.00 134 L 8.04 4.72 0.00 1.60 1.42 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.18 5.06 0.00 3.13 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 0.00 136 S 8.87 4.47 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 0.00 137 Q 8.55 3.94 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 138 E 8.26 3.95 0.00 2.17 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 2.38 2.39 0.00 139 A 8.14 4.04 1.41 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 0.00 0.00 140 L 7.92 4.13 0.00 1.88 1.83 1.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.35 4.46 0.00 1.86 1.72 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.29 4.09 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 *144 Y 7.72 4.91 0.00 3.15 2.93 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 0.00 145 P 0.00 4.56 0.00 2.17 2.10 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 146 Q 7.48 4.14 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.40 0.00 0.00 0.00 0.00 0.00 1.92 2.35 0.00 147 H 8.26 5.00 0.00 3.41 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.76 3.86 0.00 1.90 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.57 7.81 149 A 8.40 3.87 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 0.00 150 V 7.72 3.45 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 1.02 0.00 0.00 0.71 0.00 0.00 151 V 8.17 3.99 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 1.05 0.00 0.00 1.07 0.00 0.00 152 Q 7.89 4.40 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 153 K 7.95 4.12 0.00 1.62 1.57 0.00 1.57 0.00 0.00 1.30 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.42 7.81 154 L 7.11 4.58 0.00 0.40 0.81 -0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.66 4.88 0.00 4.02 3.76 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 0.00 156 R 8.36 4.32 0.00 1.96 2.04 0.00 3.19 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 157 P 0.00 4.53 0.00 2.21 2.28 0.00 3.91 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 1.99 2.00 0.00 158 E 8.13 4.13 0.00 2.12 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 2.26 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.