NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7500 8.3549 109.7384 45.5065 0.0000 173.3006 *2 T 4.1321 8.3514 120.1738 62.9675 69.3235 173.9012 3 F 4.0804 9.1143 125.8045 57.5639 39.5963 174.9898 4 R 4.6948 8.3345 123.2052 54.3677 32.9165 175.1785 5 D 4.7869 8.2292 119.7575 53.2296 42.5998 177.4954 6 T 4.0501 8.3277 113.3822 63.6202 69.0569 176.4283 7 S 4.0461 8.5189 117.1165 61.0050 62.5918 175.5859 8 A 3.9437 8.1047 123.8824 54.0270 18.2449 176.7493 9 I 4.1678 7.3950 117.1808 59.9435 37.2129 175.6216 10 A 4.2379 8.6506 129.4274 54.8002 18.8977 177.1047 11 S 4.4632 7.3293 107.1932 57.6724 66.3497 174.0869 12 W 4.8047 8.6568 120.1643 55.0436 32.3561 174.7648 13 H 5.1924 8.8417 118.7712 53.9198 32.0300 172.4770 14 A 5.1633 9.3348 124.3939 50.4202 22.5922 174.9791 15 H 5.2219 9.1528 117.0211 53.9085 32.6717 173.1143 16 V 4.0074 8.3862 125.2646 62.7512 31.9717 174.5840 17 Y 5.5043 9.0902 126.6850 57.5596 39.7742 174.7134 18 F 5.0074 8.7042 117.3024 56.9127 41.8344 171.8174 19 D 3.3700 9.0260 116.6277 51.6997 42.2742 175.2494 20 A 4.0698 7.4957 120.6216 55.7251 18.2762 180.2566 21 S 4.3193 7.9057 109.2387 60.5457 63.3418 175.2192 22 S 4.8250 8.1892 114.5722 57.6243 63.4627 175.6484 23 R 4.2784 8.1838 122.2119 60.5496 29.6476 178.1932 24 D 4.4486 8.2898 117.7247 57.4078 40.8730 178.4853 25 A 4.0708 8.1566 120.5624 55.1413 18.4847 179.3441 26 A 4.1173 8.2461 119.3740 55.0269 18.3297 179.7360 27 W 3.7311 8.6816 127.1170 60.8382 30.8350 178.2343 28 T 3.8783 8.4626 116.1545 66.6507 67.8288 176.1775 29 L 4.0687 8.2029 122.1597 58.1924 42.0796 178.9796 30 R 3.7904 7.9726 118.5228 59.5210 29.9408 178.3086 31 E 3.6592 7.8536 118.5377 59.3786 29.3822 179.2174 32 Q 4.0956 8.3309 119.6316 58.9846 29.1987 178.1759 33 I 3.7366 8.2710 121.3742 64.4261 37.2257 177.8335 34 E 3.9019 8.3335 119.9260 59.2859 29.4804 178.8131 35 A 3.9768 8.0528 120.6739 55.3921 18.3660 179.1565 36 H 3.8724 8.5542 116.0452 58.2509 30.1042 176.5407 37 W 4.3802 8.1090 118.3618 55.1038 29.1604 176.3223 38 S 3.8255 8.7183 113.8085 59.7206 60.3885 173.3930 39 G 3.9283 8.2697 104.9234 46.1696 0.0000 175.4715 40 K 4.1915 8.0461 118.7658 57.4027 32.5166 177.1503 41 L 4.4680 7.5483 118.2114 53.7488 43.5610 176.1839 42 Q 4.3780 8.3892 119.8414 55.0303 29.9105 174.6725 43 L 4.9907 8.5327 126.8008 53.3200 44.1062 176.4751 44 G 4.1639 8.8320 114.5567 45.0673 0.0000 173.2270 45 R 4.2087 8.4946 118.3656 56.2454 30.8714 177.6631 46 F 4.6616 8.9204 125.1427 58.2726 39.3048 173.6687 47 H 4.6768 9.1909 123.8902 53.9219 29.8388 175.9469 48 E 3.3208 8.2130 126.7929 54.9107 30.0109 176.0263 49 R 4.1667 6.6858 112.6932 54.0931 32.3411 172.2472 50 P 4.3147 0.0000 0.0000 62.6488 31.9409 176.6226 51 V 4.4647 7.5745 114.4105 60.2001 35.9282 176.5024 52 G 3.6741 8.4256 110.5082 46.6301 0.0000 172.9790 53 P 4.5970 0.0000 0.0000 63.2686 32.2746 175.2256 54 H 4.9802 8.3395 118.1334 53.6085 29.3857 173.8102 55 P 4.9150 0.0000 0.0000 63.1058 31.3685 175.8352 *57 W 4.8174 8.0347 117.7206 57.7090 30.7645 174.1972 58 S 6.0510 8.7036 115.6249 59.0125 66.4799 172.7181 59 Y 5.5558 8.2814 117.0531 55.7925 41.4416 173.5822 60 Q 5.0659 9.0145 121.8941 54.8196 32.0697 173.9862 61 L 5.3675 9.0774 123.6102 52.9767 45.9401 175.4147 62 A 5.1336 8.9278 124.4714 50.3754 22.7325 174.7635 63 F 5.1759 8.2437 114.5322 56.4304 42.0353 173.2868 64 T 4.6782 9.2243 110.5808 60.4892 70.5798 175.8169 65 Q 4.3150 8.8633 122.1112 59.4638 28.7727 177.8287 66 E 4.2427 7.9588 117.1301 58.2169 29.8924 177.9890 67 Q 4.4775 8.1037 117.2175 56.0842 29.4228 177.2166 68 F 4.0447 8.0006 122.3704 61.3456 39.2775 176.8445 69 A 3.8518 8.0663 119.5916 55.1169 18.2645 178.9583 70 D 4.2686 7.9788 116.0405 57.4103 41.4916 178.0560 71 L 3.8095 7.8209 120.8614 58.1226 41.8982 179.1086 72 V 3.4230 7.7122 118.7680 65.5533 31.2833 178.0774 73 G 3.6309 8.1534 105.8960 47.6385 0.0000 175.4622 74 W 4.1142 8.4671 131.0232 60.1403 30.9025 178.0910 75 L 4.0694 8.7266 119.4227 58.1374 40.8151 179.5512 76 T 3.8367 7.9192 115.0180 66.7312 68.4533 176.3316 77 L 4.1565 7.7548 119.7205 56.4814 41.4263 177.5506 78 N 4.6814 7.5352 114.0483 52.8594 39.5619 175.6862 79 H 4.3322 8.3208 115.2736 56.0051 30.0577 176.7319 80 G 3.5566 6.6925 109.0561 47.2467 0.0000 174.1526 81 A 4.5216 8.6604 127.7476 51.5893 18.8201 176.6428 82 L 4.5454 7.6859 118.9653 54.8135 42.5583 176.6680 83 D 5.0409 8.7774 123.7003 54.4184 42.5728 175.3617 84 I 4.8729 8.7222 122.2642 59.5487 41.1246 174.0908 85 F 4.0798 8.6793 130.2299 56.8569 40.5763 174.4252 86 L 5.0978 8.4937 125.6491 53.2841 45.7630 175.1478 87 H 5.2918 8.5155 116.2472 53.7167 32.0018 171.3112 88 P 3.6758 0.0000 0.0000 62.2408 32.6714 175.1148 89 N 4.8944 8.6314 120.7401 52.4052 40.1301 174.7808 90 T 4.5507 8.9756 115.8572 60.4599 69.3479 175.6192 91 G 3.9013 8.7487 110.9861 45.4586 0.0000 173.7569 92 D 4.6392 7.5191 119.3920 51.0022 41.6373 175.4544 93 A 4.0111 8.3458 126.7587 54.4955 18.5320 178.6446 94 L 3.8485 7.8286 118.2335 58.4152 42.1954 179.0349 95 R 3.8795 8.1348 118.3673 59.5191 30.0288 178.1508 96 D 4.2948 8.3871 118.9883 57.7869 40.5949 178.6091 97 H 4.3817 8.1655 115.4885 58.7024 28.8484 177.6166 98 R 4.1163 8.3497 120.0232 58.9091 30.1334 176.8129 99 D 4.9124 8.4435 115.0521 53.9979 42.6846 176.2922 100 A 4.7438 7.7295 121.3668 51.4512 19.5769 175.7407 101 A 4.5644 8.3208 121.4940 53.5566 19.4188 178.2577 102 V 4.6496 8.8231 121.8426 60.8542 35.3467 174.4289 103 W 5.5154 8.7187 125.1171 55.1156 32.6804 174.6648 104 I 3.8466 8.9342 127.1717 63.6276 37.6808 175.1557 105 G 4.2111 9.8771 117.8301 44.4007 0.0000 174.8280 106 H 4.9347 5.8084 112.6772 53.5406 32.9291 173.4731 107 S 2.7900 8.0923 116.5509 57.4449 63.9275 173.1980 108 H 4.5600 5.2900 117.6751 53.5144 31.9875 173.3103 109 E 4.1167 8.4564 122.0226 56.0535 29.7338 177.3067 110 L 4.3906 8.3238 123.9128 54.5138 42.8434 178.3908 111 V 3.9950 8.5515 121.5794 61.6971 29.3029 176.3483 112 L 4.0408 7.9928 123.9940 56.9689 41.4265 178.3508 113 S 4.0627 8.2424 113.8588 61.5955 62.3727 175.9576 114 A 4.1669 7.8422 121.9350 53.4066 18.2670 178.3024 115 L 4.2372 7.7067 116.5145 54.8189 42.0158 176.2729 116 N 4.4796 7.6499 122.9827 53.5870 38.9009 174.2995 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 0 G 8.35 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 *2 T 8.35 4.13 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 1.25 0.00 0.00 3 F 9.11 4.08 0.00 2.98 3.03 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 4 R 8.33 4.69 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 5 D 8.23 4.79 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.05 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 1.22 0.00 0.00 7 S 8.52 4.05 0.00 3.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.10 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 9 I 7.40 4.17 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.26 0.00 0.00 10 A 8.65 4.24 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.33 4.46 0.00 3.84 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 12 W 8.66 4.80 0.00 1.78 2.33 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 13 H 8.84 5.19 0.00 2.62 3.02 0.00 5.56 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 14 A 9.33 5.16 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 15 H 9.15 5.22 0.00 3.17 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.39 4.01 0.69 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 1.00 0.00 0.00 0.72 0.00 0.00 17 Y 9.09 5.50 0.00 3.21 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 18 F 8.70 5.01 0.00 3.18 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 19 D 9.03 3.37 0.00 2.11 2.26 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 20 A 7.50 4.07 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 21 S 7.91 4.32 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 22 S 8.19 4.82 0.00 4.15 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 23 R 8.18 4.28 0.00 2.46 2.24 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.26 0.00 24 D 8.29 4.45 0.00 2.81 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 25 A 8.16 4.07 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 26 A 8.25 4.12 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 27 W 8.68 3.73 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.46 3.88 4.46 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 1.26 0.00 0.00 29 L 8.20 4.07 0.00 1.93 2.02 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.97 3.79 0.00 1.34 1.29 0.00 2.21 0.00 0.00 2.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.14 0.00 31 E 7.85 3.66 0.00 1.95 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 1.47 2.10 0.00 32 Q 8.33 4.10 0.00 2.44 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.89 0.00 33 I 8.27 3.74 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.79 0.00 0.00 34 E 8.33 3.90 0.00 1.96 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 2.22 2.33 0.00 35 A 8.05 3.98 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 36 H 8.55 3.87 0.00 2.89 2.79 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.11 4.38 0.00 3.47 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 38 S 8.72 3.83 0.00 4.00 3.90 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 39 G 8.27 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.05 4.19 0.00 1.96 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.67 7.81 41 L 7.55 4.47 0.00 1.38 1.43 -0.20 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.39 4.38 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 43 L 8.53 4.99 0.00 1.59 1.52 1.02 1.01 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 44 G 8.83 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 45 R 8.49 4.21 0.00 1.57 1.76 0.00 3.25 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 46 F 8.92 4.66 0.00 3.05 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 47 H 9.19 4.68 0.00 3.33 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.21 3.32 0.00 1.42 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 2.24 2.32 0.00 49 R 6.69 4.17 0.00 1.84 1.73 0.00 2.90 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 50 P 0.00 4.31 0.00 2.06 2.15 0.00 3.64 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 2.07 2.20 0.00 51 V 7.57 4.46 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 0.56 0.00 0.00 0.84 0.00 0.00 52 G 8.43 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.60 0.00 2.12 2.18 0.00 3.53 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 1.76 1.87 0.00 54 H 8.34 4.98 0.00 3.24 3.00 0.00 5.62 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 55 P 0.00 4.91 0.00 2.13 2.10 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 *57 W 8.03 4.82 0.00 2.13 2.18 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 58 S 8.70 6.05 0.00 4.18 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 59 Y 8.28 5.56 0.00 3.20 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 60 Q 9.01 5.07 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 61 L 9.08 5.37 0.00 1.64 1.49 0.86 0.79 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 62 A 8.93 5.13 0.97 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 63 F 8.24 5.18 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 64 T 9.22 4.68 4.46 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 1.25 0.00 0.00 65 Q 8.86 4.31 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 66 E 7.96 4.24 0.00 2.07 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 2.39 2.44 0.00 67 Q 8.10 4.48 0.00 2.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 68 F 8.00 4.04 0.00 3.13 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 69 A 8.07 3.85 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 70 D 7.98 4.27 0.00 2.87 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 71 L 7.82 3.81 0.00 1.00 0.81 -0.32 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.71 3.42 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 0.64 0.00 0.00 -0.18 0.00 0.00 73 G 8.15 3.63 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 0.00 0.00 0.00 74 W 8.47 4.11 0.00 3.58 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 75 L 8.73 4.07 0.00 1.76 1.69 0.75 0.99 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 76 T 7.92 3.84 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 1.18 0.00 0.00 77 L 7.75 4.16 0.00 1.55 1.57 0.88 1.00 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 78 N 7.54 4.68 0.00 1.74 2.12 0.00 0.00 6.66 8.29 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 79 H 8.32 4.33 0.00 3.44 3.69 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 6.69 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.52 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 82 L 7.69 4.55 0.00 1.90 1.78 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.78 5.04 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 84 I 8.72 4.87 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.07 0.86 0.00 0.00 85 F 8.68 4.08 0.00 1.59 2.47 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 86 L 8.49 5.10 0.00 1.52 1.58 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.52 5.29 0.00 3.03 2.90 0.00 5.45 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 3.68 0.00 1.37 0.49 0.00 3.60 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 89 N 8.63 4.89 0.00 2.63 2.67 0.00 0.00 7.11 7.21 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 90 T 8.98 4.55 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 1.07 0.00 0.00 91 G 8.75 3.90 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 0.00 0.00 0.00 92 D 7.52 4.64 0.00 2.72 2.47 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 93 A 8.35 4.01 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 94 L 7.83 3.85 0.00 1.75 1.66 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.13 3.88 0.00 2.03 1.88 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 96 D 8.39 4.29 0.00 2.81 2.75 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 97 H 8.17 4.38 0.00 3.16 3.43 0.00 5.85 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 98 R 8.35 4.12 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 99 D 8.44 4.91 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.73 4.74 1.23 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 0.00 0.00 101 A 8.32 4.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.82 4.65 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 1.05 0.00 0.00 1.14 0.00 0.00 103 W 8.72 5.52 0.00 3.18 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 0.00 104 I 8.93 3.85 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.90 0.57 0.00 0.00 105 G 9.88 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 0.00 0.00 0.00 0.00 106 H 5.81 4.93 0.00 3.17 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.09 2.79 0.00 3.05 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 5.29 4.56 0.00 2.95 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.46 4.12 0.00 1.93 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 0.00 2.26 2.25 0.00 110 L 8.32 4.39 0.00 1.64 1.65 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.55 3.99 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 1.02 0.00 0.00 0.90 0.00 0.00 112 L 7.99 4.04 0.00 1.71 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.24 4.06 0.00 4.02 4.13 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 0.00 114 A 7.84 4.17 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 0.00 115 L 7.71 4.24 0.00 1.65 1.64 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.65 4.48 0.00 2.65 2.66 0.00 0.00 6.95 7.23 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 * Residues marked with a * may have inaccurate shift predictions.