NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 C 4.4714 8.3401 120.8395 58.6374 33.2500 172.1892 12 A 4.4340 7.7493 123.8213 52.4037 25.4283 175.1715 13 A 4.8928 8.2145 115.5620 51.1905 22.5564 173.9194 14 A 4.8669 8.8732 124.2065 50.3424 23.0732 174.8982 15 T 4.9508 8.4822 115.4092 61.8647 71.1243 173.3833 16 V 4.5035 8.5020 122.7408 60.6878 36.1379 174.3238 17 R 5.0282 8.6657 125.0484 55.8181 34.7948 174.8781 18 I 4.8318 8.4472 120.6163 59.7480 40.3275 175.1142 19 A 5.0400 8.3704 129.7188 49.9389 21.8444 176.0850 20 G 3.6778 8.9209 110.5386 45.8161 0.0000 175.4816 21 R 3.8079 7.8646 124.7442 57.2377 29.9054 175.9362 22 D 4.4425 9.7331 124.7169 55.4998 38.5670 174.2206 23 G 3.8991 8.0697 101.7363 46.4758 0.0000 173.9055 24 F 4.5312 8.2310 118.1318 56.5580 40.7547 174.8513 25 C 5.2638 9.4100 119.7869 56.0410 42.4301 172.6978 26 A 4.9615 8.9790 124.1830 51.7760 18.7622 176.5064 27 D 5.0913 9.8830 122.3271 52.6284 45.6016 174.6778 28 V 4.5568 7.6041 120.7689 61.8520 32.6402 174.4355 29 N 3.5436 8.6378 127.9889 54.3679 36.8387 173.9894 30 G 3.8507 9.5841 113.3183 45.0586 0.0000 171.3722 31 E 4.5423 7.9846 123.0933 52.4117 37.4300 179.6798 32 G 3.7164 7.8030 111.4960 48.2986 0.0000 171.2673 33 Q 4.0982 8.0915 112.1656 55.2768 32.4235 173.1374 *35 N 3.9694 8.8787 120.7330 54.6712 38.9548 174.1102 36 G 3.8884 9.2207 114.2727 45.3103 0.0000 172.0275 37 A 4.3443 7.7069 122.4125 51.0358 19.7284 177.7166 38 A 4.6322 8.7729 124.5060 52.3675 20.2747 175.8026 39 I 4.9822 8.2916 119.7337 59.8990 39.6954 175.1404 40 I 4.9602 8.9538 119.0026 59.1866 41.9487 174.2092 41 L 4.9989 8.5696 122.1667 53.5400 42.3462 175.8138 42 K 5.0262 9.1686 126.1760 53.8300 35.2705 175.4110 43 K 4.1879 9.0630 124.6842 57.0942 32.7685 177.3508 44 C 4.3909 8.7167 121.3724 57.0606 35.2149 172.9162 45 A 4.4865 7.9907 123.7972 51.1735 22.7114 175.2856 *48 E 4.8038 8.1950 116.3511 56.5558 30.5719 175.8803 49 N 4.8786 7.3458 117.5652 51.5574 41.2827 176.8929 50 D 4.2812 8.5191 120.8404 56.1258 40.0967 177.3410 51 N 4.4071 7.9850 115.3998 52.5863 37.5758 175.6171 52 Q 4.4046 7.6340 119.7749 56.3421 30.6656 175.1975 53 L 4.6184 6.9979 117.1280 53.5921 42.8065 176.1880 54 W 4.8033 8.6153 123.6149 55.1873 32.2572 175.1527 55 T 4.6297 9.1504 122.6135 62.4220 69.0579 174.0089 56 L 4.5588 8.6987 128.4594 54.4058 42.8230 177.1766 57 K 4.9656 8.1049 120.2985 54.2263 34.9787 177.7338 58 R 3.9553 8.3586 117.0879 58.5715 29.4691 177.3610 59 E 4.3149 8.1955 114.7130 55.7599 29.9770 176.1871 60 A 3.7163 7.9748 121.3777 52.9056 16.4257 177.7390 61 T 5.3630 7.6679 109.1220 60.4164 70.2080 174.5251 62 I 4.2301 8.6040 128.7787 61.3265 38.1063 175.5114 63 R 4.9733 8.8019 125.8484 56.1542 33.4024 176.3279 64 S 4.2763 9.4010 113.3432 59.0618 62.9858 174.5203 65 N 4.5480 8.7492 114.9429 53.4654 39.3150 175.3088 66 G 4.0427 8.5367 107.5482 45.0144 0.0000 174.3943 67 G 4.1476 7.6395 105.5940 45.2415 0.0000 174.0514 68 C 5.2688 8.9714 118.3732 55.7601 42.7418 172.9734 69 L 4.7058 8.8503 123.5499 54.8402 41.9527 175.8882 70 T 5.7470 9.9159 124.6002 61.4647 71.8877 173.8213 71 T 4.7643 8.4153 113.8432 60.5980 70.2322 174.3432 72 A 4.5583 8.6328 128.6836 50.8011 21.7829 176.4990 73 A 5.9400 8.1523 117.7370 52.2245 19.3011 176.6420 74 A 3.9665 8.0613 120.3277 53.1903 18.8074 178.7310 *76 E 4.4519 7.7760 116.4880 56.1489 32.3086 178.0090 77 Q 4.3985 7.5133 122.8568 55.8055 29.1314 175.2934 78 A 5.7092 8.6492 118.7730 50.4898 22.5868 175.5399 79 K 5.0016 8.6683 121.0089 54.7994 36.2210 176.0099 80 A 4.6030 8.1929 123.5380 52.8185 19.1885 176.7535 81 G 4.1952 8.4800 104.6420 45.8200 0.0000 172.9693 82 I 5.3427 7.7485 114.1777 59.8354 40.0149 173.9792 83 Y 4.6839 8.1710 121.0310 56.8217 42.2277 172.9461 84 D 4.7056 8.4768 124.1344 54.9691 41.2963 178.6437 85 C 4.5621 8.9773 121.4026 59.4323 40.4905 174.6052 86 T 4.1000 7.8673 114.7938 64.6060 68.9060 175.4252 87 Q 4.3443 7.8962 117.7405 55.9643 29.3682 175.3136 88 A 4.4328 7.5658 120.7363 50.1696 21.2520 176.2063 89 T 4.0114 8.3956 115.3785 62.0352 67.8948 175.5082 90 A 3.8545 8.0822 131.5885 55.1673 19.3818 178.8763 91 E 3.5696 8.0836 114.8014 59.4442 29.8558 178.7554 92 L 4.1064 8.5763 117.1801 55.4764 42.3911 177.9024 93 S 4.6231 9.0039 114.9858 58.0340 64.3218 173.2891 94 A 4.8807 7.6479 123.7600 50.6340 19.3141 176.2560 95 W 4.9383 8.6795 122.8586 55.1225 32.5219 175.5937 96 E 4.5928 9.9200 123.1712 54.9107 32.1829 174.0268 97 I 4.9781 8.5696 127.9144 59.9707 38.7064 175.1087 98 A 4.8841 8.6985 127.7592 49.8175 22.0595 176.8400 99 D 4.3419 8.9813 119.0799 57.2704 41.0402 178.2749 100 N 4.3569 8.1565 115.4458 54.5085 37.4428 175.7702 101 G 4.0993 8.6710 107.8311 45.2490 0.0000 173.0329 102 T 4.7508 7.7459 116.1358 62.9701 70.7946 174.1032 103 I 5.0617 8.3958 124.1790 59.6729 39.4611 174.2505 104 I 4.7769 9.0385 127.8381 59.4778 41.1497 173.7009 105 N 4.6028 8.2886 125.0103 50.6963 38.5732 173.2578 106 P 4.0419 0.0000 0.0000 65.2241 32.0710 177.7729 107 A 4.0579 7.8550 119.6276 55.2066 18.5052 178.7792 108 S 4.0552 7.9538 109.2712 59.6897 63.3537 175.3940 109 S 4.1825 8.6515 113.0634 57.5640 61.7685 167.9209 110 L 4.7379 7.8657 118.9773 54.2527 43.4223 176.0613 111 V 5.0435 8.8738 115.3302 59.1694 35.4505 175.1143 112 L 4.4512 8.5863 123.4031 55.2407 41.9039 176.7559 113 S 5.1204 9.7004 118.2472 56.8153 66.7426 172.8682 114 S 4.6028 8.9165 119.7013 56.2878 63.0412 174.3289 115 G 3.9259 8.7055 113.8811 48.3887 0.0000 171.0651 116 A 4.6840 7.5004 122.8478 49.3539 22.1569 176.6924 117 A 4.2487 8.1554 124.6158 50.8351 17.0921 176.5934 118 N 4.7471 7.1468 117.0882 50.1327 43.2469 175.0565 119 S 4.1015 8.1298 115.5970 59.3462 63.0972 174.3123 120 L 3.7479 8.8687 124.0581 55.1979 40.1896 174.4123 121 L 4.1787 7.4192 122.1605 54.6151 42.9421 176.0651 122 D 4.8746 8.8342 126.0695 54.9809 40.2213 175.5318 123 L 4.5589 9.4927 125.6813 54.0035 43.8475 175.6059 124 G 4.5879 8.9437 112.7056 44.3196 0.0000 171.6970 125 V 5.0050 8.3253 120.3679 60.1606 33.2327 175.2835 126 Q 4.5230 8.9171 124.5577 55.5311 32.8662 174.6056 127 T 4.5395 8.4947 118.2330 63.0849 70.1538 174.9449 128 N 4.3906 8.2366 122.0222 53.6436 37.0706 174.5630 129 S 4.3947 8.7908 119.8988 58.2856 63.6818 174.9651 130 Y 3.5651 8.0707 115.8344 58.6234 34.3877 169.1757 131 A 4.2990 7.8806 123.2426 52.0555 19.1797 178.9030 132 S 4.2768 8.3646 112.4346 59.6850 62.8311 174.6133 133 A 4.1284 7.8108 121.6848 53.6889 18.6084 178.1117 134 Q 4.8199 7.5388 112.7318 55.1829 29.6577 175.2046 135 G 3.9449 7.5753 107.2593 43.9183 0.0000 173.3393 136 W 5.0578 8.8504 123.5508 55.4764 33.4262 175.1477 137 R 4.4921 8.4532 118.8232 56.3041 31.8927 173.9001 138 T 4.5045 8.7015 117.9223 60.2081 69.6143 174.4901 139 G 4.4190 8.1256 119.3444 46.0523 0.0000 172.1290 140 N 4.5350 8.7653 121.8206 56.2904 39.2734 175.6049 141 E 4.1394 8.1688 117.7779 56.6825 29.7354 176.4701 142 T 4.4750 8.3335 112.9592 61.8773 70.9519 174.3970 143 S 4.1978 7.9958 116.9973 58.1150 63.3989 173.1907 144 A 4.0946 8.1815 124.5730 51.7926 18.6891 177.3152 145 S 4.2228 8.5287 118.3824 57.3285 62.0988 173.8515 146 V 3.9456 8.2385 129.3375 62.0953 31.1271 174.6328 147 T 4.6792 8.1548 117.0961 59.7684 71.7960 172.0613 148 Q 4.5277 8.4623 121.8536 54.5275 31.3517 174.9718 149 I 4.2353 8.3745 128.0658 60.6778 38.3799 175.0301 150 S 5.0157 8.7318 123.4257 55.8516 64.8929 174.2180 151 G 4.0903 8.7812 113.7012 44.8061 0.0000 175.0992 152 S 4.0323 8.8340 120.5004 58.9491 62.5614 173.5970 153 A 3.7532 9.1211 129.7735 53.5785 15.7612 176.5977 154 Q 3.5257 8.1735 113.8536 58.4452 26.6560 173.8215 155 L 4.6108 7.4457 116.6248 53.5576 43.4028 175.8627 156 C 5.1153 8.4124 119.4943 56.2389 42.3294 172.5191 157 M 4.4503 8.2325 120.5626 54.6306 32.5237 174.9160 158 Q 4.6372 8.6988 126.2263 54.4342 32.8131 175.3748 159 A 4.3575 8.4633 124.4672 50.1041 18.2539 177.0563 *604 G 3.7324 8.2045 109.0060 45.8780 0.0000 170.5797 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 11 C 8.34 4.47 0.00 2.96 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 12 A 7.75 4.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.21 4.89 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 14 A 8.87 4.87 1.24 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 15 T 8.48 4.95 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 1.24 0.00 0.00 16 V 8.50 4.50 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 0.94 0.00 0.00 0.98 0.00 0.00 17 R 8.67 5.03 0.00 1.89 1.80 0.00 3.14 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 18 I 8.45 4.83 1.71 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 1.15 0.63 0.68 0.00 0.00 19 A 8.37 5.04 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 20 G 8.92 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 21 R 7.86 3.81 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 22 D 9.73 4.44 0.00 3.11 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 23 G 8.07 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 24 F 8.23 4.53 0.00 3.16 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 25 C 9.41 5.26 0.00 3.18 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 26 A 8.98 4.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 9.88 5.09 0.00 2.84 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 28 V 7.60 4.56 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 0.83 0.00 0.00 0.92 0.00 0.00 29 N 8.64 3.54 0.00 2.89 2.80 0.00 0.00 7.04 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 30 G 9.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.98 4.54 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 32 G 7.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.09 4.10 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 *35 N 8.88 3.97 0.00 2.51 2.57 0.00 0.00 7.21 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 36 G 9.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.71 4.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.77 4.63 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.29 4.98 1.84 0.00 0.00 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 1.44 1.13 1.01 0.00 0.00 40 I 8.95 4.96 1.91 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 1.27 1.18 1.01 0.00 0.00 41 L 8.57 5.00 0.00 1.67 1.58 0.81 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 K 9.17 5.03 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.72 7.81 43 K 9.06 4.19 0.00 1.75 1.77 0.00 1.42 0.00 0.00 1.19 0.00 0.00 2.62 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.39 7.81 44 C 8.72 4.39 0.00 2.94 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 0.00 45 A 7.99 4.49 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 *48 E 8.19 4.80 0.00 1.99 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 2.21 2.24 0.00 49 N 7.35 4.88 0.00 2.80 2.75 0.00 0.00 6.73 8.08 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 50 D 8.52 4.28 0.00 2.73 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 51 N 7.98 4.41 0.00 2.75 2.96 0.00 0.00 5.76 7.44 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 52 Q 7.63 4.40 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 53 L 7.00 4.62 0.00 1.55 1.53 0.86 0.87 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 54 W 8.62 4.80 0.00 3.15 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 55 T 9.15 4.63 4.39 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 1.25 0.00 0.00 56 L 8.70 4.56 0.00 1.63 1.63 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.10 4.97 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.39 7.81 58 R 8.36 3.96 0.00 1.95 2.31 0.00 3.23 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 59 E 8.20 4.31 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 60 A 7.97 3.72 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 0.00 0.00 0.00 0.00 0.00 61 T 7.67 5.36 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 1.33 0.00 0.00 62 I 8.60 4.23 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.71 0.00 0.00 63 R 8.80 4.97 0.00 1.83 1.85 0.00 3.13 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 S 9.40 4.28 0.00 2.77 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 65 N 8.75 4.55 0.00 2.64 2.73 0.00 0.00 7.10 7.65 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 66 G 8.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.64 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 68 C 8.97 5.27 0.00 3.03 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 69 L 8.85 4.71 0.00 1.71 1.40 -0.51 0.97 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 T 9.92 5.75 4.35 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 1.15 0.00 0.00 71 T 8.42 4.76 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 1.10 0.00 0.00 72 A 8.63 4.56 1.37 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 0.00 0.00 73 A 8.15 5.94 1.24 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 74 A 8.06 3.97 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 *76 E 7.78 4.45 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 2.19 2.37 0.00 77 Q 7.51 4.40 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 78 A 8.65 5.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.67 5.00 0.00 1.78 1.89 0.00 1.57 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 80 A 8.19 4.60 1.13 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 0.00 0.00 81 G 8.48 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 0.00 0.00 0.00 82 I 7.75 5.34 1.94 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 1.17 2.16 1.05 0.00 0.00 83 Y 8.17 4.68 0.00 3.07 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 84 D 8.48 4.71 0.00 2.94 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.98 4.56 0.00 3.01 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 86 T 7.87 4.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 87 Q 7.90 4.34 0.00 2.53 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 88 A 7.57 4.43 1.10 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 0.00 0.00 89 T 8.40 4.01 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 1.11 0.00 0.00 90 A 8.08 3.85 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 91 E 8.08 3.57 0.00 1.86 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 92 L 8.58 4.11 0.00 1.62 1.58 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.00 4.62 0.00 3.81 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 94 A 7.65 4.88 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 95 W 8.68 4.94 0.00 3.09 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 0.00 96 E 9.92 4.59 0.00 1.96 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 0.00 2.22 2.34 0.00 97 I 8.57 4.98 1.89 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 1.24 0.74 0.97 0.00 0.00 98 A 8.70 4.88 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 99 D 8.98 4.34 0.00 2.71 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 0.00 100 N 8.16 4.36 0.00 2.95 3.06 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.67 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 0.00 0.00 0.00 102 T 7.75 4.75 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 1.24 0.00 0.00 103 I 8.40 5.06 1.60 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.63 0.00 0.00 104 I 9.04 4.78 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.41 0.96 0.00 0.00 105 N 8.29 4.60 0.00 1.44 2.27 0.00 0.00 7.54 7.05 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 0.00 106 P 0.00 4.04 0.00 2.02 2.05 0.00 4.01 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 107 A 7.85 4.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.95 4.06 0.00 3.91 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 0.00 109 S 8.65 4.18 0.00 3.88 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 0.00 110 L 7.87 4.74 0.00 1.60 1.54 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.87 5.04 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 0.74 0.00 0.00 1.01 0.00 0.00 112 L 8.59 4.45 0.00 1.53 1.48 -0.55 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.70 5.12 0.00 3.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.92 4.60 0.00 3.78 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 0.00 115 G 8.71 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 0.00 116 A 7.50 4.68 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.16 4.25 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 0.00 118 N 7.15 4.75 0.00 2.54 2.54 0.00 0.00 7.18 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 0.00 119 S 8.13 4.10 0.00 4.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.87 3.75 0.00 1.78 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.42 4.18 0.00 1.60 1.73 0.92 1.72 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 0.00 122 D 8.83 4.87 0.00 2.59 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 0.00 123 L 9.49 4.56 0.00 1.85 1.53 1.09 0.41 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 0.00 124 G 8.94 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.33 5.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.21 0.00 0.00 126 Q 8.92 4.52 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 127 T 8.49 4.54 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 1.19 0.00 0.00 128 N 8.24 4.39 0.00 2.49 2.46 0.00 0.00 6.99 7.63 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 0.00 129 S 8.79 4.39 0.00 4.14 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 0.00 130 Y 8.07 3.57 0.00 3.19 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 0.00 131 A 7.88 4.30 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 0.00 132 S 8.36 4.28 0.00 3.81 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 0.00 133 A 7.81 4.13 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 0.00 134 Q 7.54 4.82 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 135 G 7.58 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 0.00 136 W 8.85 5.06 0.00 3.07 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 0.00 137 R 8.45 4.49 0.00 1.95 1.84 0.00 3.11 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 138 T 8.70 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 1.21 0.00 0.00 139 G 8.13 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.77 4.54 0.00 2.71 2.87 0.00 0.00 7.07 7.65 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 0.00 141 E 8.17 4.14 0.00 2.01 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 2.32 2.25 0.00 142 T 8.33 4.47 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 0.00 143 S 8.00 4.20 0.00 3.87 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 0.00 144 A 8.18 4.09 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 0.00 145 S 8.53 4.22 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.24 3.95 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 0.88 0.00 0.00 0.92 0.00 0.00 147 T 8.15 4.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 148 Q 8.46 4.53 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 149 I 8.37 4.24 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 1.34 0.94 0.91 0.00 0.00 150 S 8.73 5.02 0.00 3.74 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 0.00 151 G 8.78 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 0.00 0.00 0.00 0.00 152 S 8.83 4.03 0.00 3.86 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 0.00 153 A 9.12 3.75 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 0.00 154 Q 8.17 3.53 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 155 L 7.45 4.61 0.00 1.89 1.56 0.94 0.93 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 0.00 156 C 8.41 5.12 0.00 2.85 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 0.00 157 M 8.23 4.45 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 158 Q 8.70 4.64 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 159 A 8.46 4.36 1.24 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 *604 G 8.20 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 * Residues marked with a * may have inaccurate shift predictions.