NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2677 8.4293 121.4726 55.8874 30.3587 175.9426 3 T 3.9571 8.1905 117.5045 60.9610 70.7679 173.3515 4 A 4.0674 8.8896 124.4739 55.0035 18.7304 181.0792 5 A 4.1921 8.2029 120.2354 54.9143 18.5633 179.5793 6 A 4.0397 8.0519 119.3838 55.0681 18.4826 179.8385 7 K 3.9125 8.2259 118.4205 59.5259 32.2854 178.8323 8 F 4.1776 8.6056 121.2610 61.3853 39.4240 177.0370 9 E 3.9662 8.5086 118.2191 59.4788 29.1020 179.2989 10 R 3.9224 8.0729 117.6832 59.1443 30.1794 177.8502 11 Q 4.2084 7.6169 116.0035 57.1375 29.4579 175.8668 12 H 4.5791 7.7914 113.1496 53.7178 31.9902 172.6253 13 M 4.7585 7.9106 118.6201 53.7461 33.6305 175.9305 14 D 4.7368 8.8119 122.7670 52.6812 41.9236 175.7769 15 S 4.3869 8.5920 119.7316 59.6953 63.5410 176.3587 16 S 4.3079 8.1334 114.0316 59.7857 63.3795 173.7803 17 T 4.6648 7.1006 111.7515 60.1151 69.9842 173.5689 18 S 4.3548 8.4424 118.8137 59.3076 63.8553 173.4502 19 A 3.8763 7.2543 121.7887 50.6814 22.1498 175.6220 20 A 2.6749 7.1584 122.2015 53.1032 18.4497 178.2347 21 S 4.5181 8.0340 117.3169 57.4504 63.7640 174.0663 22 S 4.7662 7.1705 116.0424 57.8142 64.1212 178.2823 23 S 4.2313 8.7959 116.0009 60.8837 63.0185 174.7060 24 N 4.8212 8.0931 117.8256 53.3450 38.8328 175.9183 25 Y 4.0238 8.1529 121.4329 61.3149 38.8023 177.8440 26 C 4.1723 8.5289 117.2029 59.9646 38.5149 175.8778 27 N 4.3627 8.1553 117.6543 56.4450 38.1913 177.3584 28 Q 3.9162 7.9944 119.3872 59.2131 28.7399 178.6289 29 M 3.7650 7.9097 120.0620 58.2238 31.7674 178.7094 30 M 3.9779 7.8693 118.9134 58.2608 31.9505 178.8260 31 K 3.9376 7.5424 117.8823 59.4984 32.0705 179.2216 32 S 4.0534 8.1901 114.6084 61.8636 62.8420 176.4174 33 R 4.4134 8.0106 116.5081 56.1328 29.8377 176.1058 34 N 4.2816 8.1583 113.3039 54.8382 36.1624 174.7865 35 L 4.7349 8.2281 116.0155 54.4683 42.1557 176.2438 36 T 4.5598 7.5066 107.3724 60.0466 71.5544 174.1953 *40 C 4.5013 8.6028 120.5618 56.3164 40.4388 173.4926 41 K 4.0053 8.3412 126.4641 56.2615 32.1643 174.8289 42 P 4.5569 0.0000 0.0000 65.1557 32.3667 176.6249 43 V 5.0641 7.6530 116.6408 61.3738 34.9487 174.2978 44 N 4.8491 9.1023 123.6600 52.6642 42.5479 172.8536 45 T 5.3239 7.8859 120.9857 61.1137 71.1364 173.2971 46 F 4.7117 8.5555 124.5436 55.9289 42.0343 174.7627 47 V 4.3924 8.7262 122.4323 61.5667 33.5480 174.9507 48 H 5.2940 9.0394 127.8931 53.1900 26.6742 173.9000 49 E 4.9093 7.8941 119.0285 54.5982 34.3672 175.3505 50 S 4.2975 8.6772 115.8426 58.1258 63.9608 175.0652 51 L 3.9897 8.0583 121.7542 58.5291 41.7793 179.4858 52 A 4.0492 7.9872 120.1277 55.3128 18.1566 179.2239 53 D 4.3535 8.0960 116.6019 57.3433 41.0378 178.8677 54 V 3.8152 7.8602 118.8098 66.0455 31.1165 178.1790 55 Q 3.9314 8.6318 117.7612 58.4719 28.3975 178.4455 56 A 4.0238 7.7942 121.5876 54.5821 18.3790 179.4251 57 V 3.5885 7.5120 117.2115 66.3935 31.1877 176.8149 58 C 4.1534 7.5600 113.1886 57.5960 40.0539 173.9878 59 S 4.6321 7.7532 114.5337 57.9612 63.8537 174.7722 60 Q 4.0396 7.3960 120.9824 55.9286 27.4819 177.3064 61 K 4.3760 8.4815 129.6715 56.9653 32.9790 175.4697 62 N 4.0089 8.7800 127.2960 53.6494 39.7963 174.1331 63 V 4.5408 8.3756 118.1362 59.6691 36.9549 174.0723 64 A 4.3850 8.3398 123.8310 51.7905 19.6366 178.1424 65 C 4.7531 8.8581 119.5166 56.0484 41.2027 175.3936 66 K 3.7421 8.8435 122.2643 59.4077 31.6997 177.8723 67 N 4.5963 8.0394 113.7196 52.7574 37.5224 175.7033 68 G 3.9378 8.1622 108.5043 45.6954 0.0000 174.1669 69 Q 4.3696 8.3608 119.3621 55.8253 29.5614 176.1057 70 T 4.7405 8.2127 105.5210 61.5392 69.7143 173.6282 71 N 5.1512 8.1239 118.3149 53.5967 38.3820 174.5706 72 C 5.2422 7.5781 115.7547 57.1968 43.7280 172.6109 73 Y 4.8691 8.8544 118.2985 56.2549 41.5249 174.0515 74 Q 5.2746 8.8299 124.8398 53.9335 31.8723 174.8157 75 S 4.5065 8.6682 121.3986 58.6559 63.1805 174.2305 76 Y 4.5036 9.3691 122.1059 60.8227 37.9301 176.4808 77 S 4.9519 7.8782 112.8254 56.8381 64.1359 174.1861 78 T 4.2363 8.3698 114.3652 62.1292 69.7040 173.3408 79 M 4.9712 9.1256 122.2290 53.4685 36.7864 174.8823 80 S 4.9592 8.7701 117.7268 58.5615 64.2685 173.3930 81 I 5.0959 8.7316 117.5612 59.4956 41.6767 174.0449 82 T 4.9715 8.9645 120.4809 62.1036 70.8670 173.0437 83 D 4.9485 9.0830 126.9751 53.3559 43.0495 174.1511 84 C 5.5253 9.3830 124.2157 55.4097 40.6954 173.1735 85 R 5.2845 8.8325 122.1964 53.9965 33.7558 174.5576 86 E 4.0394 9.0476 125.9630 56.5032 30.1712 176.9258 87 T 4.2668 8.1829 117.1577 60.7880 69.9400 174.9557 88 G 3.7631 8.4558 108.9963 46.8673 0.0000 174.2627 89 S 4.5100 7.6812 115.2596 58.0845 63.0172 173.6096 90 S 4.5014 7.7636 116.1467 56.5661 62.9859 173.0739 91 K 4.5775 8.2079 128.3529 54.2790 34.2807 174.9481 92 Y 4.2588 8.7533 126.4865 60.6607 39.1074 176.1702 93 P 3.4732 0.0000 0.0000 64.5411 31.8855 176.0254 94 N 4.7632 7.7841 115.3183 51.4295 40.4254 173.1972 95 C 4.4654 8.7952 121.4488 55.8079 40.9529 173.1114 96 A 4.8501 8.3790 127.2250 51.0719 20.0902 175.4980 97 Y 5.0695 9.4676 119.9681 55.8092 41.6547 175.4097 98 K 4.3013 9.1523 125.1682 56.3671 33.6081 175.7561 99 T 4.7239 8.6365 124.7812 63.3737 69.4511 174.2088 100 T 4.6691 8.8101 123.3293 61.6030 71.8440 173.5638 101 Q 4.5237 8.8198 125.5537 55.8914 29.7285 175.2749 102 A 4.7824 8.8538 123.7414 50.5826 23.5542 174.6532 103 N 5.3858 8.6458 116.0089 51.5550 41.3340 173.9933 104 K 4.6623 8.6416 123.6618 55.2625 36.4792 174.7114 105 H 4.9889 9.3251 122.7058 55.5869 30.2855 174.6621 106 I 4.9568 8.5513 114.9259 59.4295 40.9672 174.4419 107 I 4.9886 8.3890 123.4625 59.7412 40.2552 175.1033 108 V 4.7591 8.5307 119.7878 59.2537 35.3883 174.8917 109 A 4.8707 8.6002 124.8616 51.5986 20.2332 175.9111 110 C 5.1053 8.1827 117.2193 55.4162 44.9347 173.4723 111 E 4.7212 8.1462 117.5394 57.0115 34.2849 175.2883 112 G 4.1600 8.9675 107.7137 45.0000 0.0000 173.1010 113 N 4.8330 8.4467 114.8099 52.4711 39.9063 172.4812 114 P 4.4453 0.0000 0.0000 62.4555 31.7592 175.1568 115 Y 4.7084 8.4004 125.5267 56.8368 38.7717 174.5995 116 V 4.4393 8.3980 119.5271 58.3400 36.4757 173.4621 117 P 4.3484 0.0000 0.0000 63.0291 31.7431 177.2589 118 V 4.6170 8.1105 115.2702 60.9325 33.8464 175.1818 119 H 4.7454 7.6395 118.3670 55.2546 33.3125 172.0617 120 F 4.4664 9.0168 128.9508 57.9822 39.2401 173.9899 121 D 4.6133 8.0990 126.4920 55.7439 42.2613 175.8209 122 A 4.5899 6.3734 117.1122 51.3895 22.4270 174.8367 123 S 5.2421 8.7576 113.0382 56.9606 66.4117 174.6538 124 V 4.1490 8.7851 114.0960 61.9678 32.8372 174.4949 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 E 8.43 4.27 0.00 1.96 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 2.28 2.33 0.00 3 T 8.19 3.96 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 1.22 0.00 0.00 4 A 8.89 4.07 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 5 A 8.20 4.19 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 6 A 8.05 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 7 K 8.23 3.91 0.00 1.98 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.47 7.81 8 F 8.61 4.18 0.00 3.21 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 9 E 8.51 3.97 0.00 2.28 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 2.53 2.76 0.00 10 R 8.07 3.92 0.00 1.80 2.04 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 7.62 4.21 0.00 2.12 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.49 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 12 H 7.79 4.58 0.00 2.15 2.61 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.91 4.76 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 14 D 8.81 4.74 0.00 2.80 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 15 S 8.59 4.39 0.00 3.95 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 16 S 8.13 4.31 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.10 4.66 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 1.19 0.00 0.00 18 S 8.44 4.35 0.00 3.99 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 19 A 7.25 3.88 1.06 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 20 A 7.16 2.67 0.80 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 0.00 0.00 21 S 8.03 4.52 0.00 3.88 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 22 S 7.17 4.77 0.00 4.01 3.96 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 0.00 0.00 0.00 23 S 8.80 4.23 0.00 4.03 4.07 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 0.00 0.00 0.00 24 N 8.09 4.82 0.00 2.83 2.87 0.00 0.00 6.44 7.42 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 25 Y 8.15 4.02 0.00 3.04 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 26 C 8.53 4.17 0.00 3.12 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 27 N 8.16 4.36 0.00 2.89 2.91 0.00 0.00 7.16 7.74 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 28 Q 7.99 3.92 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 29 M 7.91 3.76 0.00 0.81 1.33 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.67 0.00 30 M 7.87 3.98 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.36 0.00 31 K 7.54 3.94 0.00 2.14 1.81 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 32 S 8.19 4.05 0.00 3.83 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 33 R 8.01 4.41 0.00 1.84 2.07 0.00 3.57 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 34 N 8.16 4.28 0.00 2.85 2.93 0.00 0.00 6.75 8.03 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 35 L 8.23 4.73 0.00 1.62 1.60 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.51 4.56 4.41 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 1.42 0.00 0.00 *40 C 8.60 4.50 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 41 K 8.34 4.01 0.00 1.89 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.45 7.81 42 P 0.00 4.56 0.00 2.15 2.11 0.00 3.63 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 2.14 2.11 0.00 43 V 7.65 5.06 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 0.81 0.00 0.00 0.98 0.00 0.00 44 N 9.10 4.85 0.00 2.66 2.27 0.00 0.00 7.02 6.79 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 45 T 7.89 5.32 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 0.99 0.00 0.00 46 F 8.56 4.71 0.00 3.01 2.88 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 47 V 8.73 4.39 2.17 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 1.05 0.00 0.00 0.89 0.00 0.00 48 H 9.04 5.29 0.00 3.14 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.89 4.91 0.00 1.86 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 2.27 2.30 0.00 50 S 8.68 4.30 0.00 4.02 4.02 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 51 L 8.06 3.99 0.00 1.89 1.75 1.10 1.31 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 52 A 7.99 4.05 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 53 D 8.10 4.35 0.00 2.85 2.77 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 54 V 7.86 3.82 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 1.27 0.00 0.00 1.11 0.00 0.00 55 Q 8.63 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 56 A 7.79 4.02 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 57 V 7.51 3.59 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 1.03 0.00 0.00 58 C 7.56 4.15 0.00 2.94 2.73 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 59 S 7.75 4.63 0.00 3.89 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 60 Q 7.40 4.04 0.00 1.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 1.74 2.24 0.00 61 K 8.48 4.38 0.00 2.22 1.97 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 62 N 8.78 4.01 0.00 2.72 2.63 0.00 0.00 7.00 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 63 V 8.38 4.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.80 0.00 0.00 64 A 8.34 4.39 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 65 C 8.86 4.75 0.00 3.15 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 66 K 8.84 3.74 0.00 1.87 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 67 N 8.04 4.60 0.00 2.80 2.88 0.00 0.00 6.33 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 68 G 8.16 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 69 Q 8.36 4.37 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 70 T 8.21 4.74 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 1.19 0.00 0.00 71 N 8.12 5.15 0.00 3.00 3.15 0.00 0.00 6.09 7.68 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 72 C 7.58 5.24 0.00 3.04 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 73 Y 8.85 4.87 0.00 2.90 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 74 Q 8.83 5.27 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 75 S 8.67 4.51 0.00 4.03 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 76 Y 9.37 4.50 0.00 2.96 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 77 S 7.88 4.95 0.00 3.96 3.82 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 78 T 8.37 4.24 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 1.02 0.00 0.00 79 M 9.13 4.97 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 80 S 8.77 4.96 0.00 3.98 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 81 I 8.73 5.10 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.02 0.00 0.00 82 T 8.96 4.97 4.56 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 1.40 0.00 0.00 83 D 9.08 4.95 0.00 2.78 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 84 C 9.38 5.53 0.00 2.95 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 85 R 8.83 5.28 0.00 1.82 1.83 0.00 3.28 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 86 E 9.05 4.04 0.00 1.99 1.75 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 1.99 1.66 0.00 87 T 8.18 4.27 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 1.24 0.00 0.00 88 G 8.46 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 0.00 0.00 0.00 89 S 7.68 4.51 0.00 3.79 3.87 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 90 S 7.76 4.50 0.00 3.74 3.82 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 91 K 8.21 4.58 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 92 Y 8.75 4.26 0.00 2.86 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 93 P 0.00 3.47 0.00 1.95 1.90 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 94 N 7.78 4.76 0.00 2.64 2.68 0.00 0.00 7.07 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 95 C 8.80 4.47 0.00 3.19 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 96 A 8.38 4.85 1.20 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 97 Y 9.47 5.07 0.00 2.93 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 98 K 9.15 4.30 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 99 T 8.64 4.72 4.32 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 1.30 0.00 0.00 100 T 8.81 4.67 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 0.00 101 Q 8.82 4.52 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 102 A 8.85 4.78 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 0.00 103 N 8.65 5.39 0.00 2.55 2.72 0.00 0.00 6.65 7.61 0.00 0.00 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 K 8.64 4.66 0.00 1.91 1.65 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.63 7.81 105 H 9.33 4.99 0.00 3.13 3.22 0.00 5.63 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 0.00 106 I 8.55 4.96 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 1.15 0.00 0.00 107 I 8.39 4.99 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.79 0.00 0.00 108 V 8.53 4.76 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 0.83 0.00 0.00 0.82 0.00 0.00 109 A 8.60 4.87 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 0.00 110 C 8.18 5.11 0.00 2.23 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.15 4.72 0.00 1.79 1.73 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 2.21 2.20 0.00 112 G 8.97 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 0.00 113 N 8.45 4.83 0.00 2.68 2.82 0.00 0.00 6.88 7.69 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 0.00 114 P 0.00 4.45 0.00 2.19 2.06 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 115 Y 8.40 4.71 0.00 2.80 2.88 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 0.00 116 V 8.40 4.44 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 0.78 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.35 0.00 0.49 0.91 0.00 3.28 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 118 V 8.11 4.62 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 0.59 0.00 0.00 0.87 0.00 0.00 119 H 7.64 4.75 0.00 3.27 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.02 4.47 0.00 2.60 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 0.00 121 D 8.10 4.61 0.00 2.60 2.56 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 0.00 122 A 6.37 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.76 5.24 0.00 4.03 4.08 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 0.00 124 V 8.79 4.15 2.11 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 0.66 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.