NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.4408 8.2300 118.6025 53.2280 39.8769 174.5656 2 L 4.0223 8.6415 128.2435 57.9101 41.8417 177.4356 3 I 3.5695 8.8527 121.1747 64.5545 37.4412 177.9264 4 Q 4.0667 8.2064 118.3231 58.8469 28.3501 178.6005 5 F 4.4987 8.3875 121.9861 61.3432 39.0078 177.3989 6 K 3.8132 7.8670 117.9678 59.7250 31.8633 178.8235 7 N 4.5152 7.9896 117.8725 56.0196 38.4844 176.8406 8 M 4.2461 8.3383 119.6257 57.7685 32.1471 178.4451 9 I 3.8284 7.3038 120.7849 64.4836 37.3060 178.0431 10 Q 4.1502 7.5789 114.9972 58.4160 28.5297 177.2820 11 C 4.4054 7.9444 120.2433 59.9252 43.6276 175.2460 12 A 4.1780 7.7336 120.1691 55.7713 18.4660 176.8283 13 G 4.4323 8.6090 106.6398 44.5659 0.0000 171.5244 14 T 4.2503 8.4670 106.6441 62.6875 70.6622 174.6128 *17 R 4.1068 7.9295 118.6225 55.0940 31.2177 173.6337 18 P 4.7743 0.0000 0.0000 61.2412 33.0376 176.7689 19 W 4.4840 8.8747 115.0952 59.5798 27.6698 178.1789 20 T 3.0268 6.9546 110.3716 64.1551 67.9554 176.2076 21 A 3.7189 7.2835 122.5347 54.2154 18.3035 178.0712 22 Y 4.4695 7.1235 112.6426 58.0870 38.6204 177.3230 23 V 4.1051 7.1179 120.4139 65.3102 31.3577 174.4540 24 N 4.9067 7.7585 116.6020 52.8504 39.4886 171.6354 25 Y 4.7383 8.5201 125.3168 56.3172 42.8863 176.1586 26 G 3.8821 7.6667 114.4524 47.2177 0.0000 172.9120 27 C 4.5379 9.1263 114.0194 57.5937 41.2948 174.5093 28 Y 4.2542 8.7154 115.3071 57.8674 39.8891 175.1602 29 C 4.5408 8.1306 118.9675 57.5134 40.5139 172.1901 30 G 4.0553 9.2307 109.4274 43.8274 0.0000 172.6318 31 K 3.7502 8.8130 119.6955 58.0860 32.5719 178.0162 32 G 3.8660 8.6415 113.9529 48.3022 0.0000 172.2863 33 G 4.0792 7.9081 110.5269 45.9459 0.0000 172.0426 34 S 4.4736 7.3309 116.3345 57.5908 66.3028 174.9474 35 G 3.8896 8.5587 108.8800 45.0647 0.0000 172.2647 36 T 4.5707 7.2825 106.8015 58.7505 70.6750 172.4719 37 P 4.6625 0.0000 0.0000 63.5659 31.9649 176.6220 38 V 3.9409 8.9950 115.5228 63.2676 32.3055 175.5209 39 D 4.7585 7.5598 116.8187 50.8752 42.5181 174.7728 40 E 3.9115 9.0857 118.0979 59.8205 29.3331 178.7970 41 L 4.0413 8.0038 119.5808 58.3323 42.2691 178.2442 42 D 4.5937 9.0662 118.2674 57.4649 41.1035 178.4134 43 R 4.0645 8.0999 118.6550 58.9196 30.0575 178.2503 44 C 4.3800 8.3668 116.7733 60.3709 39.7382 175.5048 45 C 4.4936 8.4462 117.6545 60.0179 34.1419 175.1804 46 Y 3.7815 8.1593 121.2443 61.0814 38.3076 178.5748 47 T 3.6792 8.0007 116.4891 66.7068 68.5589 176.0869 48 H 3.9489 8.0812 120.0759 59.3306 29.7454 177.0437 49 D 4.1727 8.0098 120.3943 57.5750 40.8862 178.5721 50 N 4.2281 7.7090 116.2724 56.1789 38.2749 176.7804 51 C 4.3407 8.0928 120.1930 59.9518 37.9199 175.2328 52 Y 3.9822 8.1857 118.4016 60.9709 37.1504 177.9032 53 N 4.3856 8.2922 117.5886 56.6795 39.2457 176.5523 54 E 4.0754 8.1947 119.4768 59.2945 29.6641 178.9327 55 A 3.7330 8.4538 121.1044 55.2968 18.1432 179.3888 56 E 4.2226 7.8468 115.2332 58.6108 29.5628 177.9617 57 K 4.2339 7.7303 117.1284 56.4672 32.1697 176.2917 58 I 4.2178 7.0561 120.6825 58.4928 38.3350 173.8751 59 P 3.9660 0.0000 0.0000 64.4158 32.0470 176.6148 60 G 3.8697 8.7281 111.7069 46.5174 0.0000 174.9855 61 C 4.5421 7.6790 114.7750 54.9195 44.3446 172.4522 62 N 4.8649 8.4660 126.7120 50.7347 39.8637 172.8365 63 P 3.9975 0.0000 0.0000 65.7516 31.4996 177.6368 64 N 4.5441 8.7197 116.8464 55.8950 38.7517 177.2027 65 I 3.8597 7.7784 109.5290 62.4530 38.5187 176.2929 66 K 3.7802 8.1810 122.8436 56.9266 32.1761 175.6005 67 T 4.3614 8.4448 123.3354 62.0732 69.6691 173.7444 68 Y 4.8725 7.3738 125.7251 55.3483 40.9578 174.3852 69 S 5.1268 9.1568 115.0494 57.4168 65.9357 173.3064 70 Y 5.2917 8.2003 120.2392 56.7654 40.7635 173.2631 71 T 4.4701 9.2210 114.5488 60.2899 71.3337 171.8139 72 C 5.3856 8.7420 126.0418 55.3501 42.4800 174.0985 73 T 4.4347 8.6150 125.5614 61.2760 67.7352 172.0450 74 E 4.0247 7.7405 121.5018 55.2466 30.6158 175.0545 75 P 5.0909 0.0000 0.0000 62.4088 32.4924 174.7933 76 N 4.9630 8.5694 117.1109 52.9240 40.5570 174.3791 77 L 5.3874 8.5569 123.0662 53.3508 44.5596 176.0534 78 T 4.6670 8.8895 118.9394 62.1095 72.7150 172.1513 79 C 5.2501 8.9096 124.2451 56.1368 40.6675 173.8190 80 T 4.0217 8.6028 115.0603 63.6901 69.4390 175.6860 81 D 4.5739 8.1516 121.6310 54.9097 41.3846 175.7211 82 T 4.5941 8.2000 112.8232 62.3332 71.2288 174.8161 83 A 4.0722 8.1503 123.3818 54.6549 19.1238 177.4548 84 D 4.5503 7.9049 117.4906 53.7140 41.6557 176.7301 85 T 3.8402 8.4139 124.5479 66.9125 68.6460 176.5331 86 C 4.0796 8.3482 119.4456 59.9682 40.4106 175.2225 87 A 4.0575 8.2955 121.8707 55.6145 17.9762 179.0780 88 R 3.7508 8.2734 117.1268 59.6723 30.2107 178.1587 89 F 3.9080 9.0919 120.3074 61.3857 39.4588 177.2725 90 L 3.8565 8.6551 120.1075 58.1829 41.8934 178.0795 91 C 2.8372 8.1770 118.8499 58.9198 43.8621 174.9316 92 N 4.0118 7.8832 118.7120 56.7613 38.4851 176.0204 93 C 4.0195 7.5538 117.3766 60.1208 37.0334 175.9590 94 D 3.8921 7.5876 119.6133 57.3030 40.4739 178.7295 95 R 3.8339 8.0917 119.5316 59.7347 29.8995 178.6156 96 T 3.7226 7.8087 115.0788 66.4551 68.4745 176.4465 97 A 3.4739 7.7271 122.2733 54.9059 18.4187 179.3446 98 A 3.6552 8.1660 119.5511 55.4423 18.5449 180.0100 99 I 3.6486 7.6595 118.1112 64.4232 37.1316 177.6783 100 C 4.1775 8.2030 119.5681 59.8058 43.2231 175.4273 101 F 4.3910 8.1302 117.8263 60.9967 38.6265 177.4859 102 A 4.2350 7.8211 117.9560 55.0147 18.1988 179.2683 103 S 4.3633 7.9308 112.1131 59.6373 63.4683 174.9461 104 A 4.6675 7.7353 123.3711 50.2311 18.9871 175.2829 105 P 4.5932 0.0000 0.0000 62.5231 32.3778 175.9189 106 Y 4.2707 8.1872 120.2619 55.7550 38.8894 174.1237 107 N 4.7169 8.6554 123.9617 51.4910 37.6424 176.4297 108 S 4.3157 8.7589 119.2696 60.6279 63.2702 176.9865 109 N 4.2748 8.0394 118.1525 56.4529 38.5916 175.5224 110 N 4.3296 8.3170 113.8730 53.2270 38.4863 174.5963 111 V 3.5782 6.9088 120.1584 63.3037 32.0410 175.3346 112 M 3.0405 7.8722 128.3932 56.4307 30.1926 175.9437 113 I 4.5995 6.9386 110.4717 60.2412 38.9897 178.2115 114 S 4.1201 8.2857 116.9555 61.3497 62.2045 174.6003 115 S 4.6037 7.7201 113.6924 58.4904 64.1510 174.3949 116 S 4.3306 7.7291 115.7910 58.1463 63.1708 175.5493 117 T 3.9901 8.2972 117.5029 66.2358 67.1866 175.7691 118 N 4.4124 7.9114 118.1079 55.8237 39.1895 174.8322 119 C 4.8174 7.5452 117.1412 56.0525 38.9952 173.7479 120 Q 4.1003 7.6363 121.6323 56.0570 28.0801 178.1876 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 N 8.23 5.44 0.00 2.72 2.61 0.00 0.00 6.70 5.78 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 2 L 8.64 4.02 0.00 1.94 1.67 1.18 0.82 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 3 I 8.85 3.57 2.03 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 1.47 0.79 0.87 0.00 0.00 4 Q 8.21 4.07 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 5 F 8.39 4.50 0.00 3.34 3.32 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 6 K 7.87 3.81 0.00 1.85 1.76 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.53 1.27 7.81 7 N 7.99 4.52 0.00 2.98 3.02 0.00 0.00 6.51 8.05 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 8 M 8.34 4.25 0.00 2.25 1.89 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 9 I 7.30 3.83 2.06 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.30 1.08 0.00 0.00 10 Q 7.58 4.15 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 11 C 7.94 4.41 0.00 3.16 3.36 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 12 A 7.73 4.18 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 13 G 8.61 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 0.00 0.00 0.00 0.00 14 T 8.47 4.25 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 1.22 0.00 0.00 *17 R 7.93 4.11 0.00 1.88 1.70 0.00 2.80 0.00 0.00 2.92 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.32 0.00 18 P 0.00 4.77 0.00 2.18 2.21 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 19 W 8.87 4.48 0.00 3.73 3.37 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 20 T 6.95 3.03 3.74 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 0.00 0.00 0.08 0.00 0.00 21 A 7.28 3.72 0.53 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 0.00 0.00 22 Y 7.12 4.47 0.00 2.84 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 23 V 7.12 4.11 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 1.07 0.00 0.00 0.71 0.00 0.00 24 N 7.76 4.91 0.00 2.82 2.65 0.00 0.00 6.59 7.56 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 25 Y 8.52 4.74 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 26 G 7.67 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 0.00 0.00 0.00 27 C 9.13 4.54 0.00 3.20 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 28 Y 8.72 4.25 0.00 3.34 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 29 C 8.13 4.54 0.00 3.42 3.32 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 30 G 9.23 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 31 K 8.81 3.75 0.00 1.79 1.80 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 32 G 8.64 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 0.00 0.00 0.00 33 G 7.91 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 0.00 0.00 0.00 34 S 7.33 4.47 0.00 3.91 3.74 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 0.00 0.00 0.00 35 G 8.56 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 36 T 7.28 4.57 4.17 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 1.21 0.00 0.00 37 P 0.00 4.66 0.00 1.93 2.15 0.00 3.30 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 1.32 1.57 0.00 38 V 9.00 3.94 2.05 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 0.67 0.00 0.00 0.91 0.00 0.00 39 D 7.56 4.76 0.00 2.89 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 40 E 9.09 3.91 0.00 2.09 2.05 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 2.44 2.42 0.00 41 L 8.00 4.04 0.00 1.89 1.76 0.80 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.07 4.59 0.00 3.17 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 43 R 8.10 4.06 0.00 2.23 2.01 0.00 3.18 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 44 C 8.37 4.38 0.00 3.57 3.39 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 45 C 8.45 4.49 0.00 3.38 3.47 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 46 Y 8.16 3.78 0.00 2.64 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 47 T 8.00 3.68 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 1.14 0.00 0.00 48 H 8.08 3.95 0.00 3.19 3.38 0.00 5.59 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 D 8.01 4.17 0.00 2.69 2.71 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 0.00 50 N 7.71 4.23 0.00 2.61 2.72 0.00 0.00 6.74 7.07 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 51 C 8.09 4.34 0.00 3.15 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 52 Y 8.19 3.98 0.00 3.07 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 53 N 8.29 4.39 0.00 2.93 2.91 0.00 0.00 7.26 7.22 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 54 E 8.19 4.08 0.00 2.62 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 2.37 2.67 0.00 55 A 8.45 3.73 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 56 E 7.85 4.22 0.00 2.10 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 0.00 2.31 2.57 0.00 57 K 7.73 4.23 0.00 1.68 1.75 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.69 1.50 7.81 58 I 7.06 4.22 1.89 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.15 0.81 0.00 0.00 59 P 0.00 3.97 0.00 1.99 2.00 0.00 3.76 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 1.99 2.07 0.00 60 G 8.73 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 0.00 0.00 0.00 61 C 7.68 4.54 0.00 2.86 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 62 N 8.47 4.86 0.00 2.68 2.61 0.00 0.00 6.86 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 P 0.00 4.00 0.00 1.14 1.29 0.00 3.73 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 64 N 8.72 4.54 0.00 2.90 2.92 0.00 0.00 6.59 6.91 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 65 I 7.78 3.86 1.85 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 1.54 0.53 0.90 0.00 0.00 66 K 8.18 3.78 0.00 1.92 1.82 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.58 7.81 67 T 8.44 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 1.13 0.00 0.00 68 Y 7.37 4.87 0.00 3.32 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 69 S 9.16 5.13 0.00 4.04 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 70 Y 8.20 5.29 0.00 3.20 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 71 T 9.22 4.47 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 1.24 0.00 0.00 72 C 8.74 5.39 0.00 3.17 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 73 T 8.61 4.43 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 1.22 0.00 0.00 74 E 7.74 4.02 0.00 1.96 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 2.32 2.64 0.00 75 P 0.00 5.09 0.00 2.23 2.13 0.00 3.42 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 76 N 8.57 4.96 0.00 2.75 2.79 0.00 0.00 6.90 6.75 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 77 L 8.56 5.39 0.00 1.52 1.61 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.89 4.67 4.29 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 1.24 0.00 0.00 79 C 8.91 5.25 0.00 2.82 2.99 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 0.00 0.00 0.00 80 T 8.60 4.02 4.27 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 1.24 0.00 0.00 81 D 8.15 4.57 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 82 T 8.20 4.59 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 1.27 0.00 0.00 83 A 8.15 4.07 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 84 D 7.90 4.55 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.41 3.84 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 86 C 8.35 4.08 0.00 2.96 3.27 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 87 A 8.30 4.06 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 0.00 0.00 88 R 8.27 3.75 0.00 1.98 2.21 0.00 3.17 0.00 0.00 3.12 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 89 F 9.09 3.91 0.00 3.14 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 90 L 8.66 3.86 0.00 1.94 1.76 0.51 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.18 2.84 0.00 2.33 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 92 N 7.88 4.01 0.00 2.78 2.46 0.00 0.00 7.19 7.24 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 93 C 7.55 4.02 0.00 3.15 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 94 D 7.59 3.89 0.00 2.65 2.82 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 95 R 8.09 3.83 0.00 1.70 1.85 0.00 3.06 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 96 T 7.81 3.72 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 1.10 0.00 0.00 97 A 7.73 3.47 0.89 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 98 A 8.17 3.66 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 99 I 7.66 3.65 1.80 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 1.39 1.20 0.89 0.00 0.00 100 C 8.20 4.18 0.00 3.07 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 0.00 101 F 8.13 4.39 0.00 2.94 2.74 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 0.00 0.00 0.00 102 A 7.82 4.24 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 0.00 103 S 7.93 4.36 0.00 3.93 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 0.00 104 A 7.74 4.67 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 0.00 105 P 0.00 4.59 0.00 2.25 2.11 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 106 Y 8.19 4.27 0.00 2.84 2.82 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 0.00 107 N 8.66 4.72 0.00 2.76 2.78 0.00 0.00 6.61 8.82 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 0.00 108 S 8.76 4.32 0.00 4.09 4.33 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 0.00 109 N 8.04 4.27 0.00 2.67 2.88 0.00 0.00 6.99 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 0.00 110 N 8.32 4.33 0.00 1.96 2.24 0.00 0.00 6.66 7.22 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 0.00 111 V 6.91 3.58 2.15 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 0.78 0.00 0.00 0.96 0.00 0.00 112 M 7.87 3.04 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 113 I 6.94 4.60 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.79 0.00 0.00 114 S 8.29 4.12 0.00 3.81 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 S 7.72 4.60 0.00 3.85 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 0.00 116 S 7.73 4.33 0.00 3.98 3.95 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 0.00 117 T 8.30 3.99 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 1.20 0.00 0.00 118 N 7.91 4.41 0.00 2.76 2.84 0.00 0.00 6.75 7.54 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 0.00 119 C 7.55 4.82 0.00 2.88 2.96 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 0.00 120 Q 7.64 4.10 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.