NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1752 8.2644 123.5735 51.9627 20.1356 176.3357 3 S 4.3363 8.1826 114.7787 56.2298 63.5787 173.4095 4 L 3.9601 8.8642 133.1151 57.9878 42.3359 178.0612 5 A 4.0118 7.9508 120.4535 55.2066 18.3521 179.4343 6 R 3.8196 8.0732 116.9997 59.3923 30.1375 178.6024 7 A 4.2348 8.0134 120.6157 55.3243 18.3622 179.7901 8 V 3.4943 8.2157 117.2353 65.9970 31.4961 177.8754 9 E 3.9580 8.4638 119.3953 59.3169 29.3764 178.9666 10 R 3.9985 8.2622 118.2291 59.2520 30.2885 178.8416 11 L 3.9738 8.0223 120.1599 57.9646 41.9963 178.9075 12 K 3.9782 8.5173 119.8258 59.4738 31.9162 178.6667 13 A 4.0438 8.3175 120.3945 55.0540 18.4221 179.1245 14 A 4.1943 7.9241 119.3889 54.8746 18.3555 179.5448 15 L 4.2307 7.7461 116.0266 57.0343 41.9037 178.4754 16 E 4.2313 7.8648 116.7066 56.6346 30.0246 176.8244 17 R 4.4696 6.8760 116.8885 53.9504 31.4838 174.6018 18 P 4.2585 0.0000 0.0000 62.8959 31.8200 176.3634 19 K 4.1533 8.5325 124.1622 56.4461 33.0324 175.9253 20 D 4.5442 8.2796 123.4738 51.0236 43.1232 176.0170 21 E 3.6681 8.5016 119.2241 60.0068 29.0487 179.6694 22 F 4.2798 7.5245 117.7135 60.3612 39.2470 177.5966 23 I 3.8195 9.1492 120.3723 64.2738 36.8689 178.3353 24 R 3.7278 8.2698 119.8785 59.7710 29.9447 178.4383 25 D 4.4761 8.1732 118.7408 57.2515 40.7464 178.9031 26 S 4.3054 8.4539 114.5488 60.9044 63.0785 176.5174 27 A 4.0446 8.1274 124.7732 55.1429 18.1828 179.5518 28 I 3.7429 7.9711 118.4153 64.6513 36.9573 178.4518 29 Q 4.0357 8.3214 120.3688 59.3413 28.9669 178.5597 30 R 2.7124 8.1448 119.1393 58.4819 29.9572 178.7497 31 F 4.1721 8.2498 120.9077 60.9933 39.3201 176.9710 32 E 3.6823 7.9387 118.5753 59.4322 29.2972 179.4125 33 F 4.4244 7.4221 114.1615 59.8668 38.0649 177.8163 34 T 3.7543 7.0594 116.5782 66.2925 68.1019 176.4141 35 F 4.1805 7.9827 122.7426 61.1794 39.2820 176.5387 36 E 4.3458 8.3358 119.0469 59.6761 29.4438 178.7355 37 L 3.8813 8.3620 120.2221 57.7779 42.0942 178.7552 38 A 4.0098 8.3602 121.6341 54.8772 18.3898 179.6738 39 W 4.0655 8.1800 115.3908 59.5005 28.2694 178.7950 40 K 2.9895 6.9220 119.0539 59.1063 31.3966 179.4216 41 T 3.8823 7.6264 116.1465 66.2765 68.3141 176.9766 42 L 3.9465 7.7445 121.1913 57.3700 41.5804 179.1675 43 K 3.8659 8.3134 120.0353 60.0150 32.2462 178.8192 44 T 3.7881 7.7170 115.8053 66.5150 68.4225 176.4059 45 F 3.8939 8.1281 122.1358 61.3123 39.4945 177.1193 46 L 4.0506 8.5317 119.0295 58.0391 41.5362 179.4991 47 E 4.6239 8.3462 119.8344 58.7640 29.1065 179.1297 48 L 3.9351 7.3718 119.3711 57.7245 42.1938 178.3641 49 Q 4.0823 7.4109 116.2407 56.6462 28.7407 176.8402 50 G 3.9142 7.7555 107.8684 45.1460 0.0000 172.8770 51 L 4.8038 8.0443 119.1420 52.3840 44.6909 175.1562 52 E 4.8404 8.2716 116.7053 54.8780 32.0833 176.3038 53 A 4.3027 8.1885 122.4468 52.3580 19.7735 176.1379 54 R 4.6191 8.5507 119.9660 57.0602 30.8957 177.3681 55 S 4.4119 7.5636 112.5326 55.3056 66.9781 172.9254 56 P 3.8919 0.0000 0.0000 65.7000 30.9451 178.8388 57 R 3.8327 7.7708 116.5290 59.5037 29.9886 178.3206 58 A 3.9787 7.8287 120.0071 55.0126 18.3646 179.4193 59 A 3.9573 8.5959 119.7214 55.3308 18.5764 180.0181 60 I 3.1284 7.7987 118.2710 64.4863 37.1783 178.9775 61 R 4.0758 7.8445 118.9993 59.0697 29.7498 179.4349 62 G 3.5659 8.3071 105.6720 47.6742 0.0000 175.6633 63 A 3.8904 7.7367 123.1051 54.6886 18.2466 179.8853 64 F 4.6088 7.5495 117.4567 60.4002 38.8721 177.2852 65 Q 4.0373 8.0182 117.8035 59.6591 28.9079 178.9397 66 V 4.0041 7.9902 110.4049 61.9314 32.2603 177.3106 67 G 3.9680 8.1685 107.7657 45.1573 0.0000 174.6163 68 L 4.1222 7.4844 119.9758 56.1163 42.5329 176.6805 69 L 4.6204 7.4069 116.0257 53.4389 45.9699 173.4483 70 P 4.4880 0.0000 0.0000 61.9969 31.9246 176.0587 71 E 2.8934 8.4936 121.8640 56.3029 29.1106 176.2980 72 D 4.6364 7.7168 126.4804 50.8176 42.7887 173.9454 73 P 4.5162 0.0000 0.0000 65.1709 30.6522 177.6439 74 F 4.4312 8.9338 121.0274 60.8707 39.0119 176.9518 75 W 3.9423 8.4211 118.3736 59.6664 29.0166 178.0224 76 L 4.3334 7.9507 117.6046 57.5477 41.0151 179.9018 77 E 4.2239 7.6364 118.1228 56.1700 28.7400 178.7716 *79 L 3.6400 8.0805 122.4076 55.0439 43.9605 178.4789 80 E 3.9359 7.6959 117.3625 59.2699 29.6494 178.9188 81 L 4.0434 8.1292 119.5078 57.5575 41.4173 179.3925 82 R 3.9379 7.7976 118.2202 59.7272 29.4691 178.2574 83 N 4.4398 7.8377 115.9392 56.0682 38.4668 177.3502 84 L 3.8603 7.7489 120.3036 57.4108 41.2146 179.0915 85 T 4.1219 7.6024 108.6437 64.8305 68.1373 175.4429 86 N 4.5086 7.5608 117.9858 55.3328 38.9201 174.7788 87 H 4.4807 8.1422 118.0011 55.9040 29.3022 175.4466 88 T 4.0974 7.2942 106.5553 62.4313 68.2685 174.9446 89 Y 4.1257 6.8303 120.6107 59.1517 38.3436 176.2039 90 D 4.6397 7.1487 120.9479 52.8000 40.9319 175.8284 91 E 3.9411 8.6906 127.1886 59.2512 29.6011 178.9431 92 A 3.9408 8.0777 120.6479 54.9949 18.3863 179.4335 93 L 3.8989 8.2520 118.7240 58.0631 42.1565 179.0354 94 A 3.9983 7.7687 120.4434 55.0881 18.3749 179.3143 95 E 3.9665 8.4698 117.5259 59.4051 29.2870 179.4829 96 R 3.9485 7.6592 117.9890 59.1560 30.3216 178.4896 97 I 3.7431 7.9107 119.8215 64.4786 37.1863 177.4522 98 Y 3.9133 8.0633 120.1390 60.8398 38.3490 178.0293 99 A 4.1340 7.8650 119.0433 53.9202 18.7853 178.1953 100 E 4.3211 7.9856 116.2759 56.5733 30.1542 178.0509 101 L 3.8147 7.3468 120.2937 57.1006 41.6998 177.2861 102 P 4.1918 0.0000 0.0000 65.5249 31.0979 178.7486 103 K 3.7540 7.8062 116.5025 59.2042 31.9814 179.0190 104 A 3.8450 7.9130 121.1011 54.9972 18.2238 179.2934 105 L 4.2026 8.5130 119.0895 58.5545 42.1648 178.9911 106 E 3.9893 7.9721 117.8753 59.5961 29.3451 179.6951 107 R 3.9749 7.5816 117.8288 59.1373 29.9687 179.1115 108 F 4.5786 7.7334 117.5338 60.8769 38.9590 177.6682 109 Q 4.1048 8.6796 118.0922 59.0850 28.4832 178.6628 110 E 4.0173 8.4813 120.3048 59.1007 29.5892 178.6074 111 L 4.0138 8.3575 120.5616 58.1386 41.9830 178.8421 112 L 4.0160 8.0209 117.8850 57.9041 41.4517 179.4871 113 R 4.0990 8.0363 117.7877 59.4724 29.8552 179.3194 114 R 3.9352 7.9075 116.3482 59.3375 30.1326 178.9514 115 L 4.0375 8.1278 118.0911 56.1806 42.8116 177.6875 116 E 4.6903 7.5661 117.0543 54.9398 28.8121 175.8296 117 E 4.2557 7.6226 121.7658 57.3276 30.6533 176.0889 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 A 8.26 4.18 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 3 S 8.18 4.34 0.00 3.96 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 4 L 8.86 3.96 0.00 1.78 1.65 0.86 1.26 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 5 A 7.95 4.01 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 6 R 8.07 3.82 0.00 1.96 2.10 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 7 A 8.01 4.23 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 8 V 8.22 3.49 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 1.17 0.00 0.00 0.97 0.00 0.00 9 E 8.46 3.96 0.00 2.16 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 0.00 2.34 2.38 0.00 10 R 8.26 4.00 0.00 2.29 2.17 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 11 L 8.02 3.97 0.00 1.69 1.83 0.97 0.59 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 12 K 8.52 3.98 0.00 1.96 2.00 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 13 A 8.32 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 14 A 7.92 4.19 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 15 L 7.75 4.23 0.00 1.67 1.70 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.86 4.23 0.00 1.94 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 2.64 0.00 17 R 6.88 4.47 0.00 1.91 1.90 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 18 P 0.00 4.26 0.00 2.06 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 19 K 8.53 4.15 0.00 1.73 1.66 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.19 0.89 7.81 20 D 8.28 4.54 0.00 2.87 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 21 E 8.50 3.67 0.00 1.79 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 1.78 1.47 0.00 22 F 7.52 4.28 0.00 3.33 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 23 I 9.15 3.82 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 1.05 0.00 0.00 24 R 8.27 3.73 0.00 1.47 1.94 0.00 2.96 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.00 25 D 8.17 4.48 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 26 S 8.45 4.31 0.00 4.16 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 0.00 27 A 8.13 4.04 1.60 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 28 I 7.97 3.74 2.11 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 1.47 0.86 0.99 0.00 0.00 29 Q 8.32 4.04 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 30 R 8.14 2.71 0.00 2.00 1.71 0.00 3.34 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 31 F 8.25 4.17 0.00 3.11 3.25 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 32 E 7.94 3.68 0.00 2.30 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 2.34 2.58 0.00 33 F 7.42 4.42 0.00 3.12 3.33 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 34 T 7.06 3.75 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 0.02 0.00 0.00 35 F 7.98 4.18 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.34 4.35 0.00 2.46 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 2.45 2.48 0.00 37 L 8.36 3.88 0.00 2.05 1.77 0.86 1.25 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 38 A 8.36 4.01 1.59 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 39 W 8.18 4.07 0.00 3.47 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 40 K 6.92 2.99 0.00 1.52 1.47 0.00 1.45 0.00 0.00 1.40 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.57 0.67 7.81 41 T 7.63 3.88 4.36 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 1.19 0.00 0.00 42 L 7.74 3.95 0.00 1.83 1.61 0.51 0.50 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 43 K 8.31 3.87 0.00 1.75 1.75 0.00 1.45 0.00 0.00 1.40 0.00 0.00 3.32 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.67 7.81 44 T 7.72 3.79 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 45 F 8.13 3.89 0.00 3.18 3.17 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 46 L 8.53 4.05 0.00 1.84 1.73 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.35 4.62 0.00 2.16 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 2.31 2.25 0.00 48 L 7.37 3.94 0.00 1.62 1.51 0.83 0.46 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 49 Q 7.41 4.08 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.70 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 50 G 7.76 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 0.00 0.00 0.00 51 L 8.04 4.80 0.00 1.81 1.56 1.00 0.65 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 52 E 8.27 4.84 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 53 A 8.19 4.30 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 54 R 8.55 4.62 0.00 1.84 2.02 0.00 3.25 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 55 S 7.56 4.41 0.00 3.83 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 56 P 0.00 3.89 0.00 1.85 1.60 0.00 3.10 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 57 R 7.77 3.83 0.00 1.87 1.87 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 58 A 7.83 3.98 1.38 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 59 A 8.60 3.96 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 60 I 7.80 3.13 1.86 0.00 0.00 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 1.23 1.23 0.37 0.00 0.00 61 R 7.84 4.08 0.00 1.88 2.04 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 62 G 8.31 3.57 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 0.00 0.00 0.00 63 A 7.74 3.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.55 4.61 0.00 3.30 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.02 4.04 0.00 2.11 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 66 V 7.99 4.00 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 0.88 0.00 0.00 1.19 0.00 0.00 67 G 8.17 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 0.00 0.00 0.00 68 L 7.48 4.12 0.00 1.39 1.57 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.41 4.62 0.00 1.61 1.49 -0.32 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.49 0.00 2.13 2.03 0.00 3.90 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 2.14 2.14 0.00 71 E 8.49 2.89 0.00 1.68 1.72 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 2.08 1.93 0.00 72 D 7.72 4.64 0.00 2.89 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 73 P 0.00 4.52 0.00 2.37 2.34 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 74 F 8.93 4.43 0.00 3.13 3.23 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 0.00 75 W 8.42 3.94 0.00 3.68 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 76 L 7.95 4.33 0.00 2.01 1.79 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.64 4.22 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 *79 L 8.08 3.64 0.00 1.97 1.99 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.70 3.94 0.00 2.02 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 2.31 2.56 0.00 81 L 8.13 4.04 0.00 1.53 1.50 0.59 0.58 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 82 R 7.80 3.94 0.00 0.95 1.64 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.28 0.00 83 N 7.84 4.44 0.00 2.86 2.83 0.00 0.00 7.10 7.18 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 84 L 7.75 3.86 0.00 1.85 1.67 0.88 0.70 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 85 T 7.60 4.12 4.43 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 1.48 0.00 0.00 86 N 7.56 4.51 0.00 2.51 2.65 0.00 0.00 7.03 7.77 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 87 H 8.14 4.48 0.00 2.96 2.83 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.29 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 89 Y 6.83 4.13 0.00 3.12 3.17 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 90 D 7.15 4.64 0.00 2.68 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 91 E 8.69 3.94 0.00 2.02 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 2.35 2.37 0.00 92 A 8.08 3.94 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 93 L 8.25 3.90 0.00 1.71 1.76 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.77 4.00 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 95 E 8.47 3.97 0.00 2.12 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 2.45 2.40 0.00 96 R 7.66 3.95 0.00 1.98 2.02 0.00 3.39 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 97 I 7.91 3.74 1.84 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 1.32 0.60 0.74 0.00 0.00 98 Y 8.06 3.91 0.00 3.06 3.08 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 99 A 7.87 4.13 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 0.00 100 E 7.99 4.32 0.00 1.95 2.01 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 2.41 2.45 0.00 101 L 7.35 3.81 0.00 1.41 1.55 0.80 0.51 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 0.00 102 P 0.00 4.19 0.00 2.02 2.01 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 103 K 7.81 3.75 0.00 1.69 0.90 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.10 1.24 7.81 104 A 7.91 3.84 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 0.00 105 L 8.51 4.20 0.00 1.96 1.82 0.95 1.18 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 0.00 106 E 7.97 3.99 0.00 2.13 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 2.29 2.55 0.00 107 R 7.58 3.97 0.00 1.31 0.90 0.00 3.11 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.66 0.00 108 F 7.73 4.58 0.00 3.32 3.08 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 0.00 109 Q 8.68 4.10 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 110 E 8.48 4.02 0.00 2.18 2.27 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 2.44 2.48 0.00 111 L 8.36 4.01 0.00 2.12 2.17 0.79 0.70 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 0.00 112 L 8.02 4.02 0.00 1.93 1.77 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.04 4.10 0.00 2.07 2.00 0.00 3.16 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 114 R 7.91 3.94 0.00 1.86 1.90 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 115 L 8.13 4.04 0.00 1.74 1.73 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.57 4.69 0.00 2.08 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 2.52 2.26 0.00 117 E 7.62 4.26 0.00 2.06 1.83 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 2.21 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.