NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3690 8.1400 114.8074 57.8725 64.5386 173.9745 2 L 3.8547 8.1045 121.2540 57.0493 41.4328 177.9962 3 F 4.1790 9.0329 122.3729 61.3832 39.8050 176.5330 4 E 3.6403 8.0056 117.6857 59.1140 29.2743 178.7931 5 L 4.0263 8.1279 120.6129 58.2397 42.0627 179.3853 6 G 3.5127 8.4002 106.0027 47.5785 0.0000 175.6245 7 K 3.7425 7.8324 122.1887 59.3796 32.1492 178.8247 8 M 3.8974 8.2521 119.4354 58.3750 31.8335 178.8208 9 I 3.6165 7.7626 119.9929 64.1139 37.1422 178.2985 10 L 4.1582 7.9325 122.7108 57.6760 41.7045 178.9879 11 Q 3.5198 7.9580 117.1801 58.7457 28.5253 178.5513 12 E 4.2889 8.3441 118.8106 59.5948 29.5568 178.9136 13 T 4.2518 8.4659 109.4368 63.3134 69.1102 176.4620 *15 G 4.1646 7.6243 107.6701 44.5458 0.0000 172.1972 16 K 4.4887 7.7236 119.5197 53.9536 34.4384 175.4113 17 N 4.6159 8.4574 119.9709 53.4324 39.8330 174.2001 18 P 4.4646 0.0000 0.0000 65.4874 31.4933 178.5585 19 A 4.0232 8.0689 119.1511 55.0292 18.2334 179.3141 20 K 3.9121 8.2656 116.6085 60.0696 32.4501 178.8963 21 S 4.7818 7.7339 114.8731 59.8391 62.1810 174.5489 22 Y 4.9447 8.2754 116.3550 57.1891 39.7855 177.4688 23 G 3.7851 8.5529 110.8172 48.2541 0.0000 174.2633 24 A 5.2147 7.4473 118.6922 50.8606 19.8889 174.4377 25 Y 4.8547 7.9344 124.0314 56.2672 41.7678 175.9494 26 G 3.4167 7.5338 115.3402 47.0700 0.0000 173.1900 27 C 4.7520 9.1003 117.4281 57.1915 42.4688 173.6816 28 N 4.9191 8.5601 115.4542 52.5719 40.4311 173.3198 29 C 4.8134 8.3612 117.4346 57.1493 41.6565 173.8363 30 G 4.5036 8.6684 111.2756 45.7929 0.0000 171.9291 31 V 3.7206 8.3228 120.3877 63.4258 31.9151 176.0910 32 L 3.8199 9.1926 117.5201 55.6095 39.5719 176.8776 33 G 3.6721 7.3458 110.2222 47.2614 0.0000 174.4218 34 R 5.2385 7.7480 121.0992 55.6446 31.7644 172.1979 35 G 4.1767 8.4451 104.1533 45.9076 0.0000 172.7621 36 K 4.1752 8.9753 122.7537 55.4586 32.5137 175.1386 37 P 4.4174 0.0000 0.0000 63.1266 31.7261 176.6860 38 K 3.9715 9.4284 123.1971 58.8346 32.4437 176.1521 39 D 4.5226 7.3167 115.5493 51.6906 41.8381 175.4340 40 A 3.9894 8.6299 119.6891 55.8475 18.0183 179.9302 41 T 3.7771 7.9986 113.7803 66.9094 68.5841 176.0728 42 D 4.4838 9.1065 120.3065 57.5450 41.2402 178.3325 43 R 3.9104 8.3448 119.4464 59.4602 29.9253 177.7889 44 C 4.3410 8.1931 116.5894 60.2954 37.2930 175.4821 45 C 4.1372 7.9278 117.9421 59.7814 40.9353 175.5303 46 Y 3.9007 8.1999 121.4272 60.7277 38.4507 178.1870 47 V 3.6608 8.5545 119.5614 66.1502 31.5780 177.2996 48 H 3.9271 8.2979 118.0838 59.4033 29.6478 177.4744 49 K 3.6899 8.2576 120.3927 59.4535 31.5357 178.8197 50 C 4.2053 7.7569 116.3413 59.7749 40.1276 174.7531 51 C 4.3186 8.3569 119.7136 60.0865 44.2584 174.9809 52 Y 4.3852 8.2218 120.6506 61.7319 37.2948 179.4434 53 K 3.9425 8.0209 126.6036 59.9503 31.5212 181.7648 *57 K 4.7408 7.7682 115.9953 54.3134 33.9409 180.7261 58 L 4.0792 7.8990 118.4466 55.6545 41.8581 176.9130 59 T 4.2881 8.5765 113.5209 63.4653 69.0520 174.0298 60 G 4.0531 9.4054 115.4697 45.1199 0.0000 170.4329 61 C 5.1412 7.5660 112.4492 52.1368 40.8042 172.8163 *67 N 4.7676 8.3002 117.2336 52.8530 38.7124 173.0552 68 P 4.2662 0.0000 0.0000 65.3904 31.6917 179.3919 69 K 3.9201 8.2350 119.8854 59.7420 32.2817 179.5356 *70 K 4.2010 7.7828 117.4611 55.6736 32.9060 178.7440 71 D 4.5244 8.6157 119.7908 54.5555 40.9824 176.4834 72 R 4.4574 8.4019 123.5212 56.0251 31.2121 174.7867 73 Y 4.9576 7.8346 116.5780 56.3129 41.2337 173.9147 74 S 5.1183 9.9839 117.1632 57.3134 64.9545 173.2746 75 Y 5.4921 8.3713 120.7399 56.0551 41.1974 173.9725 76 S 4.7704 9.6212 116.0155 56.4600 67.1573 173.1113 77 W 5.4244 8.8537 132.1810 55.8114 32.3332 174.8104 78 K 4.3865 8.7003 128.9855 55.7394 34.2554 175.7684 79 D 4.0204 9.3712 126.4558 55.9550 38.4894 173.2379 80 K 2.0000 7.1493 109.8216 56.9732 30.1085 175.9110 81 T 4.3577 6.3750 113.0489 61.5577 72.8168 174.2101 82 I 4.7106 8.5597 127.1759 61.3163 38.3658 175.5558 83 V 4.3974 9.3837 126.9037 61.0552 34.0439 174.0433 84 C 4.6640 9.1148 126.1263 57.5244 40.4417 173.1788 85 G 4.0581 9.2843 110.5692 47.5633 0.0000 173.7000 86 E 4.1380 8.2800 119.5398 55.7889 30.0476 177.2804 87 N 4.4163 8.6130 117.2135 55.3668 39.3300 175.0096 88 N 4.2193 7.9968 117.4192 53.3585 39.3873 172.9795 *90 P 4.3491 0.0000 0.0000 62.8589 33.6853 179.6740 91 C 4.2450 8.1853 116.9298 59.6501 43.0872 175.3409 92 L 3.9391 8.5244 120.9277 57.4914 41.1698 179.4512 93 K 3.8089 8.6000 120.0004 59.4656 32.1272 178.5207 94 E 3.9359 8.0954 119.6453 58.9858 29.4189 178.5458 95 L 3.8690 8.3545 120.7108 58.2712 42.1573 177.9431 96 C 3.2789 7.7470 118.6360 59.6449 43.8724 175.5257 97 E 3.8380 8.4767 120.2678 59.4016 28.9680 178.6842 98 C 4.3101 8.4819 117.1738 60.2072 40.7495 175.9397 99 D 4.3403 8.4995 120.7897 57.0919 40.3334 178.7178 100 K 3.8175 8.4409 120.4537 59.4257 32.1260 178.7687 101 A 3.9675 8.2425 121.5576 55.0506 18.2955 180.0318 102 V 3.4501 7.7810 117.5935 64.7176 31.4955 178.5199 103 A 3.8090 8.1074 121.6507 54.7954 18.1891 179.7038 104 I 3.7849 7.9627 118.5531 64.7395 37.2457 177.7655 105 C 4.4014 8.3896 119.6210 59.7418 43.1726 175.6576 106 L 3.7821 8.0651 119.8492 57.5719 41.4060 179.0617 107 R 4.0412 7.9886 118.6279 59.6761 29.8494 178.4723 108 E 4.0971 8.5104 117.1450 58.5979 29.5825 178.1333 109 N 4.9426 7.7192 114.9112 53.0905 38.7390 176.6590 110 L 4.3327 7.9912 123.2956 57.2033 41.3597 179.4534 111 G 3.6719 8.2021 107.4669 47.7349 0.0000 174.2652 112 T 4.5138 7.8068 107.4022 60.9053 69.5447 173.5188 113 Y 3.9134 7.6810 124.0856 58.6066 39.1867 174.6855 114 N 4.8057 9.2975 128.9219 51.9872 39.1855 175.3873 115 K 4.3273 8.9811 131.1840 58.1575 31.9632 177.4439 116 K 4.0959 7.8393 118.0244 57.9436 31.8669 181.5638 117 Y 4.3441 7.9815 115.4843 59.5194 37.9454 175.4288 118 R 4.0105 7.5470 121.4564 57.4570 30.1566 175.4443 119 Y 3.7338 8.2353 123.4035 58.9811 35.5802 169.1802 120 H 4.1231 8.1714 118.2851 56.4259 30.2797 174.7372 121 L 4.1513 8.1707 127.6977 53.9556 41.1782 176.4793 122 K 4.0459 8.5635 127.1905 58.8369 32.2600 177.4594 123 P 4.2561 0.0000 0.0000 64.6026 31.3393 177.6794 *125 F 5.2470 7.7553 115.0586 57.3351 40.8155 176.0474 126 C 4.5901 8.2036 120.7784 57.5789 37.4871 174.6525 127 K 4.3525 8.6944 128.1059 55.4835 33.0605 175.5766 *129 K 4.4491 8.4127 123.5579 55.4431 33.1791 176.1262 130 A 4.6890 8.4603 124.6340 50.5895 20.7568 177.0757 131 D 4.6125 8.3921 119.6905 53.8714 41.6985 176.2942 132 D 4.6388 8.3544 121.2887 53.6200 42.2019 176.9662 133 C 4.4607 8.6094 118.3813 57.4298 41.1537 174.0508 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 1 S 8.14 5.37 0.00 4.25 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 0.00 2 L 8.10 3.85 0.00 1.85 1.79 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.03 4.18 0.00 3.18 3.04 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 4 E 8.01 3.64 0.00 1.66 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 1.93 2.39 0.00 5 L 8.13 4.03 0.00 2.07 1.94 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.40 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 0.00 0.00 0.00 7 K 7.83 3.74 0.00 1.32 1.68 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.62 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.28 7.81 8 M 8.25 3.90 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.97 0.00 9 I 7.76 3.62 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.86 0.00 0.00 10 L 7.93 4.16 0.00 1.67 1.69 0.90 0.62 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 11 Q 7.96 3.52 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 1.48 2.10 0.00 12 E 8.34 4.29 0.00 1.93 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 0.00 2.56 2.47 0.00 13 T 8.47 4.25 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 *15 G 7.62 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 16 K 7.72 4.49 0.00 1.76 1.53 0.00 1.49 0.00 0.00 1.17 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 17 N 8.46 4.62 0.00 2.74 2.69 0.00 0.00 7.05 7.71 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 18 P 0.00 4.46 0.00 2.24 2.13 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 19 A 8.07 4.02 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 20 K 8.27 3.91 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 21 S 7.73 4.78 0.00 3.33 2.72 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 22 Y 8.28 4.94 0.00 3.08 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 23 G 8.55 3.79 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 0.00 0.00 0.00 24 A 7.45 5.21 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 25 Y 7.93 4.85 0.00 3.14 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 26 G 7.53 3.42 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 27 C 9.10 4.75 0.00 3.11 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 28 N 8.56 4.92 0.00 3.14 2.90 0.00 0.00 6.91 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 29 C 8.36 4.81 0.00 3.48 3.35 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 30 G 8.67 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 3.72 2.12 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 1.02 0.00 0.00 0.99 0.00 0.00 32 L 9.19 3.82 0.00 1.80 1.72 0.95 0.88 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 33 G 7.35 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 34 R 7.75 5.24 0.00 1.60 1.72 0.00 3.21 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.00 35 G 8.45 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 36 K 8.98 4.18 0.00 1.87 1.71 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.39 7.81 37 P 0.00 4.42 0.00 1.93 2.01 0.00 3.47 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 1.51 1.96 0.00 38 K 9.43 3.97 0.00 1.08 0.84 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.05 0.52 7.81 39 D 7.32 4.52 0.00 2.90 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 40 A 8.63 3.99 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 41 T 8.00 3.78 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 0.67 0.00 0.00 42 D 9.11 4.48 0.00 3.06 2.94 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 43 R 8.34 3.91 0.00 1.99 2.01 0.00 3.10 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 44 C 8.19 4.34 0.00 3.08 3.04 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 45 C 7.93 4.14 0.00 3.17 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 46 Y 8.20 3.90 0.00 3.02 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 47 V 8.55 3.66 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 0.95 0.00 0.00 1.11 0.00 0.00 48 H 8.30 3.93 0.00 3.22 3.25 0.00 5.66 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 49 K 8.26 3.69 0.00 1.58 1.71 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.57 7.81 50 C 7.76 4.21 0.00 2.98 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 51 C 8.36 4.32 0.00 3.00 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 52 Y 8.22 4.39 0.00 3.18 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 53 K 8.02 3.94 0.00 1.73 1.83 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 *57 K 7.77 4.74 0.00 1.79 1.79 0.00 1.67 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.00 7.81 58 L 7.90 4.08 0.00 1.65 1.58 0.69 0.85 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 59 T 8.58 4.29 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 1.20 0.00 0.00 60 G 9.41 4.05 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 0.00 0.00 0.00 61 C 7.57 5.14 0.00 3.28 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 *67 N 8.30 4.77 0.00 2.78 2.80 0.00 0.00 7.68 7.71 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 68 P 0.00 4.27 0.00 1.59 0.49 0.00 3.44 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 1.40 1.51 0.00 69 K 8.24 3.92 0.00 1.82 1.86 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.45 7.81 *70 K 7.78 4.20 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.01 7.81 71 D 8.62 4.52 0.00 2.80 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 72 R 8.40 4.46 0.00 1.80 1.92 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 73 Y 7.83 4.96 0.00 3.44 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 74 S 9.98 5.12 0.00 3.85 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 75 Y 8.37 5.49 0.00 3.19 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 76 S 9.62 4.77 0.00 3.79 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 77 W 8.85 5.42 0.00 3.38 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 78 K 8.70 4.39 0.00 1.75 1.54 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.33 7.81 79 D 9.37 4.02 0.00 2.64 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 80 K 7.15 2.00 0.00 1.57 1.56 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.29 7.81 81 T 6.37 4.36 4.19 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 1.14 0.00 0.00 82 I 8.56 4.71 1.96 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 1.48 1.01 0.88 0.00 0.00 83 V 9.38 4.40 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 0.87 0.00 0.00 1.00 0.00 0.00 84 C 9.11 4.66 0.00 3.06 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 85 G 9.28 4.06 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 0.00 0.00 0.00 86 E 8.28 4.14 0.00 2.24 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 0.00 2.32 2.38 0.00 87 N 8.61 4.42 0.00 2.75 2.93 0.00 0.00 6.91 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 88 N 8.00 4.22 0.00 2.74 2.74 0.00 0.00 7.20 7.71 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 *90 P 0.00 4.35 0.00 2.24 2.11 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 91 C 8.19 4.25 0.00 3.06 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 92 L 8.52 3.94 0.00 1.89 1.77 1.07 1.25 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 93 K 8.60 3.81 0.00 1.97 1.99 0.00 1.47 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 94 E 8.10 3.94 0.00 2.20 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 2.30 2.30 0.00 95 L 8.35 3.87 0.00 1.71 1.73 0.74 0.92 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 96 C 7.75 3.28 0.00 1.86 2.89 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 97 E 8.48 3.84 0.00 2.06 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 2.49 2.46 0.00 98 C 8.48 4.31 0.00 3.36 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 99 D 8.50 4.34 0.00 2.89 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 K 8.44 3.82 0.00 1.71 1.96 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 101 A 8.24 3.97 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 0.00 102 V 7.78 3.45 1.82 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 0.48 0.00 0.00 0.72 0.00 0.00 103 A 8.11 3.81 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 0.00 104 I 7.96 3.78 2.05 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 1.57 0.67 0.90 0.00 0.00 105 C 8.39 4.40 0.00 3.05 3.19 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 0.00 106 L 8.07 3.78 0.00 1.35 1.02 0.03 0.56 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 0.00 107 R 7.99 4.04 0.00 1.88 2.12 0.00 3.15 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 108 E 8.51 4.10 0.00 2.07 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 2.35 2.55 0.00 109 N 7.72 4.94 0.00 2.85 2.83 0.00 0.00 6.89 6.76 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 0.00 110 L 7.99 4.33 0.00 1.95 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.20 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 0.00 112 T 7.81 4.51 4.30 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 1.25 0.00 0.00 113 Y 7.68 3.91 0.00 3.05 2.91 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 0.00 114 N 9.30 4.81 0.00 2.43 2.11 0.00 0.00 6.88 6.77 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 0.00 115 K 8.98 4.33 0.00 1.72 1.83 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.03 7.81 116 K 7.84 4.10 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.04 7.81 117 Y 7.98 4.34 0.00 1.76 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 0.00 0.00 0.00 118 R 7.55 4.01 0.00 1.88 2.05 0.00 3.45 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.58 0.00 119 Y 8.24 3.73 0.00 3.30 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 0.00 120 H 8.17 4.12 0.00 3.00 3.29 0.00 5.92 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 0.00 121 L 8.17 4.15 0.00 1.50 1.22 0.79 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.56 4.05 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.51 7.81 123 P 0.00 4.26 0.00 1.93 1.99 0.00 3.41 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 *125 F 7.76 5.25 0.00 3.17 2.92 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 0.00 126 C 8.20 4.59 0.00 2.99 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 0.00 127 K 8.69 4.35 0.00 1.45 1.68 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.01 7.81 *129 K 8.41 4.45 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 130 A 8.46 4.69 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.61 0.00 2.78 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 0.00 132 D 8.35 4.64 0.00 2.66 2.59 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 0.00 133 C 8.61 4.46 0.00 2.96 2.94 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 * Residues marked with a * may have inaccurate shift predictions.