NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6428 8.4244 118.1311 52.1741 38.8226 173.7599 3 I 3.5823 8.5539 118.1541 63.9342 38.0765 176.2289 4 F 4.0592 9.2154 119.8429 60.8121 39.8388 178.8174 5 E 4.2813 8.9482 120.1083 56.4893 28.7154 179.1827 *7 L 4.2648 8.0026 120.7870 54.7434 43.9080 179.3381 8 R 3.4081 8.3548 118.6999 59.2812 29.6145 178.7059 9 I 3.7577 7.4147 118.9539 64.4097 37.3070 177.6873 10 D 4.6117 8.0629 117.0507 55.9058 41.1285 177.0530 11 E 4.2577 9.1824 120.2802 56.0555 30.8279 177.7091 12 G 3.9442 8.4804 102.3797 45.4141 0.0000 171.8459 13 L 4.8540 8.0194 120.1654 52.8303 44.2151 175.6436 14 R 4.5832 8.2652 125.8203 54.8045 33.1492 175.1189 15 L 4.6665 8.7920 124.5297 54.7834 43.1716 175.8467 16 K 5.1325 7.7865 118.2129 54.0555 34.9643 176.1509 17 I 4.2977 7.9273 124.4440 62.7329 37.8999 174.5981 18 Y 4.9768 10.8326 121.5867 56.4607 41.9505 173.0153 19 K 5.3396 8.8347 118.1589 53.8611 34.8409 177.0266 20 D 4.8370 8.1836 122.9518 52.7581 41.2645 176.7909 21 T 3.9294 8.4038 114.6048 66.4258 68.3639 175.2157 22 E 3.9093 8.0912 119.0084 56.6493 29.8713 177.3204 23 G 3.6892 7.8078 107.2012 44.9008 0.0000 172.9133 24 Y 4.6657 8.1138 118.8251 57.1700 39.4467 174.7903 25 Y 4.7302 8.6834 121.4501 59.4036 38.9420 175.5784 26 T 4.9729 10.2852 118.7112 62.6297 73.8315 172.3605 27 I 4.7925 8.4153 122.7305 59.9054 41.8029 175.3543 28 G 3.8269 8.9775 113.2727 47.1036 0.0000 175.4889 29 I 4.8716 7.6971 115.2937 60.2203 35.3642 175.3769 30 G 4.1605 8.1452 108.5035 46.0662 0.0000 170.9208 31 H 4.4010 8.2980 120.8490 54.1941 29.4380 174.2874 32 L 4.1816 8.1094 129.9750 55.2321 42.3361 176.3522 33 L 4.2372 8.8812 127.4561 56.5597 42.1474 177.2624 34 T 4.1158 7.3420 108.0198 60.9669 69.9675 173.0045 35 K 4.0726 8.3565 128.8780 56.2734 31.6777 175.6959 36 S 4.5360 8.2094 114.1284 57.1492 65.1182 174.6483 37 P 4.4853 0.0000 0.0000 65.5071 31.6849 177.1347 38 S 4.2456 8.0697 113.2485 57.7154 63.0345 174.0905 39 L 3.0153 8.5283 131.3555 58.1226 41.8274 178.4265 40 N 4.2598 8.0246 115.8890 56.0966 38.3136 177.1256 41 A 3.8882 7.8609 121.4327 55.0711 17.9665 179.1448 42 A 3.8846 7.5280 118.8941 55.2714 18.3575 179.9718 43 K 4.0115 8.1470 117.3899 59.5332 32.1536 179.6247 44 S 4.0705 8.1593 114.5634 61.5748 62.8194 176.1723 45 E 3.8809 8.9139 123.8149 58.8728 29.1625 178.8779 46 L 3.9336 8.9983 120.6160 58.6843 41.5398 178.8912 47 D 4.8218 8.5318 120.0887 56.6598 40.4341 178.8095 48 K 4.2015 7.8019 119.4127 59.0655 32.2844 178.4035 49 A 4.1360 7.8872 120.2165 55.4766 18.4654 179.3347 50 I 3.9856 7.9840 116.5751 61.3937 37.9960 176.0497 51 G 3.7281 10.0288 107.5892 45.6237 0.0000 173.2725 52 R 4.2443 7.0616 111.6556 55.1657 31.5229 173.7398 53 N 4.6350 8.7275 118.7519 53.7456 37.8813 174.8257 54 T 3.9823 9.3692 116.7842 63.6695 69.6462 175.8912 55 N 3.9637 8.8870 117.9272 54.1645 36.7670 174.4802 56 G 3.9508 8.1590 103.1015 45.7713 0.0000 173.0502 57 V 4.8546 7.5195 118.2800 60.9796 34.6254 174.0959 58 I 4.9656 8.5033 118.6757 59.4369 41.3555 174.3933 59 T 4.5049 9.1385 113.0361 60.7148 70.0553 176.3611 60 K 4.2793 8.6735 122.3357 59.9939 32.7698 178.9417 61 D 4.2956 8.1653 119.9764 57.3136 40.7375 178.3498 62 E 3.9488 8.0478 118.2027 59.3859 29.5622 178.9144 63 A 4.0627 8.4516 121.0318 55.7328 18.4397 179.6948 64 E 4.2321 9.1883 117.8195 59.0926 29.5741 179.5316 65 K 3.9740 8.1502 119.9606 59.6942 32.3419 178.7343 66 L 4.2147 8.0719 119.1646 57.7363 41.4436 179.2042 67 F 4.7550 8.4028 120.5443 61.7317 39.3763 176.6097 68 N 4.4605 8.4181 115.8588 56.7340 37.8283 177.3211 69 Q 3.9963 8.0686 118.4888 59.1574 28.8169 178.4637 70 D 4.5788 8.6570 120.2085 57.5016 40.9222 179.1666 71 V 3.6390 8.3936 118.8970 66.0113 31.4423 177.2369 72 D 4.2729 8.6217 117.8199 57.4572 40.9926 177.7804 73 A 3.9565 9.2244 121.2489 55.9963 18.2862 178.7918 74 A 3.8610 8.4255 118.9650 55.3382 18.3192 179.5184 75 V 3.3105 8.0825 114.7330 66.0863 31.6708 179.0191 76 R 3.9163 8.1384 117.4750 59.2851 29.7622 179.1968 77 G 3.6370 7.9114 104.0092 47.7875 0.0000 175.3193 78 I 3.7788 7.7508 122.1003 64.3769 36.9795 178.6708 79 L 4.0565 7.9665 118.3418 56.8934 41.3559 178.2455 80 R 4.5199 8.0005 118.0140 54.9786 30.5626 174.8096 81 N 4.8306 7.3716 114.5545 50.9186 41.1713 173.4415 82 A 4.0510 8.8464 129.0508 56.0468 18.4931 178.7561 83 K 4.2088 8.5422 111.6424 57.0290 31.9922 178.4190 *85 K 4.3718 8.1520 121.6775 56.2708 33.4698 177.1275 86 P 4.4710 0.0000 0.0000 63.5911 30.8330 176.7956 *88 Y 4.7395 7.9308 119.8572 57.8629 40.1660 176.7728 89 D 4.4661 8.4137 118.7158 57.2969 41.0584 178.0180 90 S 4.3072 7.6578 111.8642 58.9018 63.1433 173.8577 *92 D 4.3170 7.7519 120.9911 53.2362 41.6089 175.8773 93 A 3.9001 8.2025 120.8347 54.9244 18.1288 180.1676 94 V 3.1532 8.8791 118.0732 65.9304 31.4737 178.5997 95 R 3.8425 8.0429 115.5348 58.7759 29.9513 178.8378 96 R 3.9362 7.7205 117.5251 59.0167 30.2986 178.3633 97 A 4.2686 7.7385 119.9004 54.9220 18.2739 180.4968 98 A 4.3146 7.8716 118.7649 52.2315 18.7258 178.8903 *100 I 4.1397 7.7820 123.7095 63.1106 39.2723 177.9523 101 N 4.2291 8.1116 114.9276 55.1284 38.4960 176.0470 *103 V 3.8843 7.8251 117.7113 62.8573 33.3154 177.1096 104 F 3.9553 8.6209 120.8867 61.3714 39.1290 176.0933 105 Q 4.1920 8.5434 119.4556 58.1733 28.8266 175.9121 *107 G 3.7510 7.7265 105.7110 44.8682 0.0000 173.4259 108 E 3.9357 8.9174 119.5276 59.9131 29.6393 179.0362 109 T 4.0199 8.0943 113.0898 67.0331 69.0379 177.1542 110 R 4.1818 7.5174 120.3102 55.9282 28.8891 178.1925 *112 A 4.3443 7.9156 121.0632 51.9541 20.7723 179.2371 113 G 3.6814 8.2435 103.6793 47.5301 0.0000 174.4733 114 F 4.2243 8.1237 118.0169 57.7137 39.3383 177.2484 115 T 3.9355 7.6698 117.3978 65.2688 67.2909 175.2022 116 N 4.4707 8.1088 117.2466 56.5470 38.6550 177.0377 117 S 4.2617 7.5047 109.1005 59.4555 62.4935 175.2798 *119 R 4.0076 7.7177 120.5047 56.3470 29.9338 175.8466 *122 Q 4.2350 7.9642 118.0976 55.3362 29.7536 176.1820 123 Q 4.1990 7.6698 115.6103 54.8982 29.0625 176.4432 124 K 2.0000 7.3015 115.5861 57.1297 31.0001 177.0369 125 R 4.0397 6.4919 115.8700 56.5671 28.7023 177.5242 126 W 4.5822 5.8539 118.7073 60.3942 29.5589 177.4774 127 D 4.6069 8.4254 117.7243 58.0396 40.4746 179.3362 128 E 3.9447 8.1471 117.8660 59.1947 29.3913 178.7354 129 A 3.9794 8.5719 120.6565 55.3659 18.4979 179.1638 130 A 4.1886 8.9182 118.5043 55.5292 18.5793 179.8005 131 V 3.7302 7.6459 115.2947 65.3973 31.7141 177.9268 132 N 4.2673 8.1148 113.6515 54.6180 38.3082 175.8938 *134 A 3.0793 7.9247 122.4946 51.2776 20.5531 178.5704 135 K 4.3622 8.4613 118.0397 54.6475 30.6005 176.6201 136 S 4.7570 7.7794 115.5899 55.6272 67.5732 174.8817 137 R 3.9673 8.9299 123.5059 60.1292 29.5663 178.0571 138 W 4.3686 8.6582 127.3747 60.7739 30.7866 176.7635 139 Y 3.2292 9.9324 120.3661 60.8662 38.0020 178.5914 140 N 4.4652 8.3598 116.7322 56.1619 38.7099 176.9659 141 Q 4.3300 7.9353 118.7823 57.3238 30.3722 176.7204 142 T 4.4652 7.2118 110.2559 58.0322 69.4218 172.3162 143 P 3.2863 0.0000 0.0000 65.8831 31.4855 178.2530 144 N 4.1924 7.7667 116.3422 55.7742 38.5816 177.5043 145 R 3.8594 7.7036 116.7659 59.2112 29.6720 178.4659 146 A 3.4686 7.9980 121.9276 54.3122 17.9719 179.3857 147 K 3.9809 8.4081 118.7750 59.7956 32.2114 179.2450 148 R 3.8295 7.6061 118.3730 59.3312 29.7609 179.2873 149 V 3.9200 7.8886 116.7815 65.9388 31.6224 177.9573 150 I 4.0703 8.1916 119.1515 64.9535 37.3862 177.9185 151 T 4.1320 8.2460 116.7209 67.2126 68.2068 176.6545 152 T 4.1478 7.7690 113.1107 64.7345 67.8436 175.8499 *154 R 4.3900 7.8483 123.0544 56.2655 31.5944 176.3728 155 T 3.9417 7.9219 105.3339 60.9420 69.5717 175.5764 156 G 3.5954 7.9159 109.8796 45.9776 0.0000 172.6574 157 T 4.4633 7.3119 108.4404 59.6033 71.7864 173.6437 158 W 5.1737 8.4047 118.0388 56.7204 29.7153 177.7425 159 D 4.4056 7.8904 120.8720 57.5662 40.3311 178.5284 160 A 4.2016 8.1431 119.2574 53.7408 18.7329 177.1464 161 Y 4.3609 8.5963 112.6231 57.4541 38.6097 175.8244 162 K 4.1830 7.8492 126.9660 56.5277 32.2308 176.0326 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 N 8.42 4.64 0.00 2.89 2.92 0.00 0.00 5.98 6.93 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 3 I 8.55 3.58 1.87 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 1.27 0.35 0.73 0.00 0.00 4 F 9.22 4.06 0.00 3.28 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 5 E 8.95 4.28 0.00 1.92 1.86 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 2.31 2.42 0.00 *7 L 8.00 4.26 0.00 1.74 1.51 0.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.35 3.41 0.00 1.97 2.27 0.00 2.99 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 9 I 7.41 3.76 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 1.06 0.00 0.00 10 D 8.06 4.61 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.18 4.26 0.00 1.85 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 2.33 2.41 0.00 12 G 8.48 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 13 L 8.02 4.85 0.00 1.49 1.50 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.27 4.58 0.00 1.57 1.66 0.00 3.03 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.84 0.00 15 L 8.79 4.67 0.00 1.65 1.97 0.93 1.00 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 16 K 7.79 5.13 0.00 1.64 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.45 7.81 17 I 7.93 4.30 1.99 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 0.70 1.13 0.00 0.00 18 Y 10.83 4.98 0.00 3.12 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 19 K 8.83 5.34 0.00 1.52 1.48 0.00 1.56 0.00 0.00 2.20 0.00 0.00 2.58 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.66 0.80 7.81 20 D 8.18 4.84 0.00 2.94 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 21 T 8.40 3.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 E 8.09 3.91 0.00 2.02 1.14 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 2.24 2.28 0.00 23 G 7.81 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 0.00 0.00 0.00 24 Y 8.11 4.67 0.00 3.16 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 25 Y 8.68 4.73 0.00 2.92 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 26 T 10.29 4.97 3.05 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 1.01 0.00 0.00 27 I 8.42 4.79 1.96 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 1.24 1.57 0.98 0.00 0.00 28 G 8.98 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 29 I 7.70 4.87 1.17 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.12 0.00 0.00 30 G 8.15 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 0.00 0.00 0.00 31 H 8.30 4.40 0.00 3.42 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.11 4.18 0.00 1.55 1.42 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.88 4.24 0.00 1.67 1.70 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.34 4.12 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 K 8.36 4.07 0.00 1.02 0.74 0.00 0.93 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.98 1.04 7.81 36 S 8.21 4.54 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.19 2.20 0.00 4.07 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 38 S 8.07 4.25 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 39 L 8.53 3.02 0.00 1.73 1.57 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.02 4.26 0.00 2.84 2.81 0.00 0.00 6.90 6.86 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 41 A 7.86 3.89 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 42 A 7.53 3.88 0.95 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 0.00 0.00 43 K 8.15 4.01 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 44 S 8.16 4.07 0.00 4.01 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 0.00 45 E 8.91 3.88 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 46 L 9.00 3.93 0.00 1.80 1.81 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.53 4.82 0.00 2.81 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 48 K 7.80 4.20 0.00 1.76 1.97 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 7.89 4.14 1.36 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 0.00 0.00 50 I 7.98 3.99 1.87 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 1.61 0.87 0.92 0.00 0.00 51 G 10.03 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 52 R 7.06 4.24 0.00 1.94 1.98 0.00 2.97 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 53 N 8.73 4.64 0.00 2.70 2.81 0.00 0.00 7.05 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 54 T 9.37 3.98 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 1.31 0.00 0.00 55 N 8.89 3.96 0.00 2.84 2.88 0.00 0.00 6.94 7.98 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 56 G 8.16 3.95 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 0.00 0.00 0.00 57 V 7.52 4.85 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 0.95 0.00 0.00 1.01 0.00 0.00 58 I 8.50 4.97 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.93 0.00 0.00 59 T 9.14 4.50 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 1.25 0.00 0.00 60 K 8.67 4.28 0.00 2.02 2.12 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 61 D 8.17 4.30 0.00 2.72 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 62 E 8.05 3.95 0.00 2.34 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 2.35 2.35 0.00 63 A 8.45 4.06 1.40 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 0.00 0.00 64 E 9.19 4.23 0.00 2.13 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 2.46 2.68 0.00 65 K 8.15 3.97 0.00 1.87 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 66 L 8.07 4.21 0.00 1.80 1.66 0.86 0.70 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 67 F 8.40 4.75 0.00 3.34 3.41 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 68 N 8.42 4.46 0.00 3.03 2.94 0.00 0.00 7.13 7.06 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 69 Q 8.07 4.00 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 70 D 8.66 4.58 0.00 3.22 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 3.64 1.78 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 0.49 0.00 0.00 0.04 0.00 0.00 72 D 8.62 4.27 0.00 2.91 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 73 A 9.22 3.96 1.39 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 0.00 0.00 0.00 0.00 0.00 74 A 8.43 3.86 1.44 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 0.00 0.00 0.00 75 V 8.08 3.31 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 0.90 0.00 0.00 0.92 0.00 0.00 76 R 8.14 3.92 0.00 2.22 1.93 0.00 3.17 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 1.62 1.62 0.00 77 G 7.91 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.75 3.78 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.57 0.00 0.00 79 L 7.97 4.06 0.00 1.51 1.67 0.85 0.48 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 80 R 8.00 4.52 0.00 1.93 1.86 0.00 3.17 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 81 N 7.37 4.83 0.00 2.74 2.73 0.00 0.00 6.95 8.00 0.00 0.00 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 A 8.85 4.05 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 83 K 8.54 4.21 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 *85 K 8.15 4.37 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.50 7.81 86 P 0.00 4.47 0.00 2.10 2.08 0.00 3.85 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 2.19 2.09 0.00 *88 Y 7.93 4.74 0.00 2.98 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 89 D 8.41 4.47 0.00 2.99 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 90 S 7.66 4.31 0.00 3.94 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 0.00 *92 D 7.75 4.32 0.00 2.90 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 93 A 8.20 3.90 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 94 V 8.88 3.15 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 0.07 0.00 0.00 0.47 0.00 0.00 95 R 8.04 3.84 0.00 1.79 1.98 0.00 3.37 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.91 0.00 96 R 7.72 3.94 0.00 1.73 1.50 0.00 2.82 0.00 0.00 2.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.55 0.00 97 A 7.74 4.27 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.87 4.31 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 *100 I 7.78 4.14 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.89 0.00 0.00 101 N 8.11 4.23 0.00 2.90 3.09 0.00 0.00 6.83 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 V 7.83 3.88 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 0.87 0.00 0.00 0.86 0.00 0.00 104 F 8.62 3.96 0.00 3.16 3.37 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 0.00 105 Q 8.54 4.19 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 *107 G 7.73 3.75 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 0.00 108 E 8.92 3.94 0.00 1.94 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 2.29 2.32 0.00 109 T 8.09 4.02 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 1.22 0.00 0.00 110 R 7.52 4.18 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 *112 A 7.92 4.34 1.39 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 0.00 0.00 0.00 0.00 0.00 113 G 8.24 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 0.00 0.00 0.00 114 F 8.12 4.22 0.00 3.14 3.09 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 0.00 115 T 7.67 3.94 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 1.32 0.00 0.00 116 N 8.11 4.47 0.00 2.70 2.83 0.00 0.00 6.92 7.57 0.00 0.00 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 7.50 4.26 0.00 4.12 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 *119 R 7.72 4.01 0.00 2.07 1.90 0.00 3.14 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 *122 Q 7.96 4.23 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 123 Q 7.67 4.20 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 5.92 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 124 K 7.30 2.00 0.00 1.53 1.38 0.00 1.46 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.07 1.33 7.81 125 R 6.49 4.04 0.00 1.72 1.94 0.00 3.06 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 126 W 5.85 4.58 0.00 3.42 3.31 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 0.00 127 D 8.43 4.61 0.00 2.74 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 E 8.15 3.94 0.00 2.12 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 0.00 2.39 2.36 0.00 129 A 8.57 3.98 1.44 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 0.00 0.00 0.00 130 A 8.92 4.19 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 0.00 131 V 7.65 3.73 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 0.80 0.00 0.00 1.04 0.00 0.00 132 N 8.11 4.27 0.00 3.04 3.04 0.00 0.00 6.90 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 *134 A 7.92 3.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.46 4.36 0.00 1.82 1.76 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.32 7.81 136 S 7.78 4.76 0.00 4.35 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 0.00 137 R 8.93 3.97 0.00 2.04 2.16 0.00 3.35 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 138 W 8.66 4.37 0.00 3.54 3.51 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 0.00 139 Y 9.93 3.23 0.00 3.11 3.20 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 0.00 140 N 8.36 4.47 0.00 3.01 2.90 0.00 0.00 7.06 7.93 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 0.00 141 Q 7.94 4.33 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.11 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 142 T 7.21 4.47 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 1.16 0.00 0.00 143 P 0.00 3.29 0.00 1.99 1.82 0.00 3.64 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 144 N 7.77 4.19 0.00 2.71 2.81 0.00 0.00 6.84 7.66 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 0.00 145 R 7.70 3.86 0.00 2.22 2.13 0.00 3.01 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 146 A 8.00 3.47 -0.28 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 0.00 0.00 147 K 8.41 3.98 0.00 1.88 2.00 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.52 7.81 148 R 7.61 3.83 0.00 1.95 1.58 0.00 2.23 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 149 V 7.89 3.92 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 1.06 0.00 0.00 1.35 0.00 0.00 150 I 8.19 4.07 2.19 0.00 0.00 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 2.00 1.24 1.06 0.00 0.00 151 T 8.25 4.13 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 0.00 152 T 7.77 4.15 4.55 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 1.11 0.00 0.00 *154 R 7.85 4.39 0.00 1.97 2.18 0.00 3.51 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 155 T 7.92 3.94 4.14 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 1.21 0.00 0.00 156 G 7.92 3.60 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 0.00 157 T 7.31 4.46 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 1.12 0.00 0.00 158 W 8.40 5.17 0.00 3.39 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.89 4.41 0.00 2.88 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 0.00 160 A 8.14 4.20 1.21 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 0.00 161 Y 8.60 4.36 0.00 3.19 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 0.00 162 K 7.85 4.18 0.00 1.79 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.