NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9512 8.1400 114.7983 57.7941 64.6877 173.9409 2 L 3.9988 8.6452 124.3982 58.4668 41.7518 178.3014 3 L 4.0664 8.7916 119.7949 57.8574 41.9798 178.7654 4 E 4.0379 8.1471 118.1281 59.3331 29.3016 179.0839 5 F 4.6466 8.8116 121.1675 61.4677 39.4824 177.3855 6 G 3.5385 8.4575 105.4359 47.6558 0.0000 175.6161 7 K 4.0280 8.1525 122.0810 59.3822 32.2538 178.6127 8 M 4.3885 8.3410 120.0505 58.1508 32.0706 178.2265 9 I 3.6107 7.9542 120.2859 64.2589 37.1815 178.1389 10 L 4.3607 7.8261 122.3358 57.7416 42.0686 178.6999 11 E 3.9689 8.4746 118.8211 59.4954 29.1931 179.1347 12 E 4.0700 8.2027 118.2765 58.9309 29.9154 177.9652 13 T 4.4378 8.2488 107.5496 60.9507 70.2516 175.7251 14 G 3.7928 8.2282 109.8867 45.5958 0.0000 172.9717 *16 K 4.2170 7.4763 117.8947 55.8298 33.4763 175.1534 17 L 4.2493 8.2009 122.7569 54.3600 42.5605 177.7783 18 A 4.0198 8.9291 126.6235 54.8301 18.5134 177.1476 19 I 4.6269 7.6740 116.4489 59.4461 38.1602 173.6391 20 P 4.9141 0.0000 0.0000 61.7588 31.7153 176.4673 21 S 4.3089 7.9683 116.2347 60.9240 62.6893 174.6059 22 Y 4.7613 8.2018 114.7246 57.3952 38.9573 176.1557 23 S 4.7287 8.1511 115.7975 59.5521 64.2790 175.3530 24 S 4.6278 7.8247 116.3015 57.8842 63.4787 172.2978 25 Y 4.8028 8.1584 122.0751 58.3982 40.0469 175.2968 26 G 3.4214 8.1220 116.8285 46.9084 0.0000 173.1387 27 C 4.5574 9.4097 116.9867 57.8847 39.3569 173.8687 28 Y 4.4649 8.6849 115.3032 57.3898 39.8844 174.2793 29 C 4.7782 8.5354 119.0397 57.2231 40.9438 174.2822 30 G 4.5847 10.3661 113.4194 46.7227 0.0000 173.6564 31 W 4.9626 7.9386 123.5468 55.9434 33.6050 175.6060 32 G 3.8770 8.9313 105.3803 45.7693 0.0000 171.5113 33 G 4.1432 9.4196 109.8293 44.5069 0.0000 174.9482 34 K 4.7797 7.5632 116.8799 53.9140 37.2901 175.9670 35 G 4.4796 9.4072 106.5387 45.3026 0.0000 173.1466 36 T 4.3050 8.0015 115.5001 61.4410 69.1789 173.6256 37 P 4.6368 0.0000 0.0000 63.0208 31.8939 176.8530 38 K 3.7925 8.7394 121.4715 59.1625 32.3350 176.1403 39 D 4.4115 7.3038 115.6300 51.4279 41.8947 175.5315 40 A 4.0071 8.6455 119.8689 55.9365 18.0409 179.8209 41 T 4.0156 8.0570 113.6375 67.0071 68.5233 176.1969 42 D 4.6135 8.8924 120.0621 57.4963 41.1701 178.5118 43 R 3.9498 8.2544 118.7783 59.1647 29.9405 178.2035 44 C 4.1953 8.3270 116.5252 60.4241 38.8984 175.6494 45 C 4.3511 8.2192 117.7339 59.7461 40.8280 175.7370 46 F 3.6358 8.5469 122.6692 61.3682 38.8844 177.4341 47 V 3.4644 8.0447 117.7594 66.1264 31.2507 177.3970 48 H 3.8663 8.2750 118.0954 59.1738 29.6112 176.9675 49 D 4.1179 8.2006 121.0097 57.5550 40.6991 178.1423 50 C 4.0685 7.8612 117.0173 59.8896 39.8822 175.3506 51 C 4.1133 7.9921 119.4864 60.0419 44.5826 175.0008 52 Y 4.3538 7.9915 118.4615 61.0493 37.1615 178.8667 53 G 3.6070 8.0143 105.7209 47.3443 0.0000 174.9126 54 N 4.5719 7.8466 116.9650 54.2384 39.8293 174.9980 55 L 4.8072 7.4935 119.6585 52.3117 42.0783 174.5227 56 P 4.1402 0.0000 0.0000 66.0628 32.1667 178.4546 *59 D 4.9967 7.8787 114.8802 54.3358 42.4791 175.4592 *61 C 5.0538 7.6576 115.6356 57.3231 42.8793 172.8618 *67 N 4.7230 7.9687 116.6349 52.3522 38.7471 173.3172 68 P 3.9715 0.0000 0.0000 65.3759 32.1819 179.2874 69 K 4.0987 8.0958 117.3742 58.5596 32.2194 178.5534 70 S 4.4332 7.7778 111.0611 58.7724 64.8619 174.0895 71 D 4.3996 8.1056 121.3136 53.9624 41.3300 175.3934 72 R 4.4874 8.4079 125.8165 55.0082 31.4948 175.0627 73 Y 4.9638 7.8351 119.1472 55.0261 41.1583 174.6365 74 K 4.9864 8.5652 118.9716 55.0440 35.1424 174.9805 75 Y 5.5172 8.2689 120.3510 55.7141 41.4434 173.3746 76 K 4.7051 9.2218 118.8069 55.3844 36.9621 174.6781 77 R 5.0926 8.5380 118.7955 54.5426 32.3919 176.6934 78 V 4.1255 8.8136 124.3186 61.5305 32.1872 175.2105 79 N 4.1541 8.6382 127.6877 53.7418 36.9152 175.5160 80 G 3.7027 8.7329 108.6318 48.1744 0.0000 173.4617 81 A 4.1970 7.8405 124.3283 51.8881 19.0831 176.4272 82 I 4.6009 8.1932 123.2291 60.7867 38.4751 175.6034 83 V 4.3424 8.9573 127.1726 60.9629 33.8802 173.9853 84 C 4.8405 8.9110 126.2808 57.2472 40.6095 173.3047 85 E 4.7773 8.9375 123.4479 54.3205 31.3672 176.0652 86 K 4.3985 7.9371 123.4067 56.0720 33.5656 175.4202 *88 G 4.2166 8.2909 114.8547 45.3655 0.0000 172.8114 89 T 4.2429 8.7236 115.1298 60.9147 71.0683 175.8641 90 S 4.0821 8.4884 116.3569 61.9163 62.8146 177.1516 91 C 4.2290 8.1537 119.7234 59.7139 40.6486 175.8191 92 E 3.9991 8.1488 119.9665 59.4819 28.7377 179.1070 93 N 4.2666 8.3178 116.5312 56.5382 38.6268 177.7638 94 R 3.9591 7.9881 119.3185 59.1012 30.1444 179.1402 95 I 3.6245 8.0237 120.0779 64.4571 37.0804 177.5201 96 C 2.9317 7.9368 119.3290 59.4374 38.9167 175.5641 97 E 3.7784 7.9400 120.0044 59.3785 28.9932 178.7384 98 C 4.1753 8.0436 116.6472 60.0670 41.2303 175.9509 99 D 3.8286 7.9641 120.3895 56.9483 40.3922 178.4966 100 K 3.6868 8.1696 120.3579 59.5402 32.0459 178.5173 101 A 3.8605 7.7711 120.4208 55.1232 18.2446 179.4616 102 A 3.4772 7.7415 118.9277 54.9887 18.3630 179.7361 103 A 3.8535 8.0857 119.3644 55.2964 18.3918 179.9132 104 I 3.6067 7.7532 118.3469 64.5941 36.9439 177.8015 105 C 4.1787 8.0538 118.4319 59.6930 37.8689 175.2695 106 F 4.5978 8.1048 119.7302 60.7173 38.0334 177.5910 107 R 3.9527 8.1001 118.3126 59.5542 29.6962 178.2946 108 Q 4.2172 8.3416 117.9687 57.9479 29.2379 176.1805 109 N 5.0802 7.6976 115.5526 52.9637 39.5795 176.2519 110 L 4.1894 7.8448 120.9931 57.7519 41.7754 179.2050 111 N 4.5299 8.3139 114.9716 54.9899 37.2286 175.3378 112 T 4.5932 7.8132 106.6583 60.7326 69.8523 173.4447 113 Y 4.0900 7.8217 124.1352 58.5220 39.3985 175.0141 114 S 4.7284 8.7500 120.6395 56.0888 65.0486 174.8881 115 K 4.1215 8.8443 127.4540 59.0705 32.0567 179.0580 116 K 3.8182 7.7610 116.8810 59.2580 32.4705 176.9658 117 Y 4.4170 7.2911 116.3434 57.9819 38.0887 175.2195 118 M 4.4362 7.6987 120.8584 56.2085 32.5979 175.9898 119 L 3.6694 8.2606 120.8067 55.6531 40.0214 174.6289 120 Y 4.1707 8.1418 118.9714 56.7546 39.6392 173.4991 121 P 4.3681 0.0000 0.0000 62.2999 32.5001 176.4463 122 D 4.2498 8.9846 121.7550 57.3313 41.1409 178.1590 *124 F 4.7273 7.8369 111.0754 56.5652 39.5559 175.3092 125 L 3.8148 6.7868 119.0217 54.8791 41.2932 176.2668 126 C 4.8981 8.0961 117.7543 54.8031 38.7674 173.1212 127 K 4.7066 8.3906 123.0443 55.2460 35.5733 176.9171 128 G 4.2490 8.8456 107.8124 45.9514 0.0000 172.5876 129 E 4.6355 8.3331 120.6598 55.0842 30.6624 175.9671 130 L 4.6753 8.3708 123.4402 52.9256 44.2234 176.2436 131 K 4.1417 8.5541 125.9815 56.5625 32.8912 177.8906 *133 C 4.6492 8.6308 118.8985 57.4489 41.5394 173.7774 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 4.95 0.00 4.14 4.11 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 2 L 8.65 4.00 0.00 1.92 1.85 1.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.79 4.07 0.00 1.76 1.74 0.95 1.00 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 4 E 8.15 4.04 0.00 2.10 1.92 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 2.26 2.24 0.00 5 F 8.81 4.65 0.00 3.41 3.38 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 6 G 8.46 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.15 4.03 0.00 1.91 2.08 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.34 4.39 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 9 I 7.95 3.61 1.81 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.10 0.63 0.00 0.00 10 L 7.83 4.36 0.00 1.77 1.82 0.95 0.61 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 11 E 8.47 3.97 0.00 2.30 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 2.53 0.00 12 E 8.20 4.07 0.00 2.13 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 2.44 2.37 0.00 13 T 8.25 4.44 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 1.28 0.00 0.00 14 G 8.23 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 *16 K 7.48 4.22 0.00 1.89 1.64 0.00 1.39 0.00 0.00 0.85 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.20 4.25 0.00 1.69 1.74 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.93 4.02 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 19 I 7.67 4.63 1.90 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 1.53 0.71 0.94 0.00 0.00 20 P 0.00 4.91 0.00 2.18 2.14 0.00 3.35 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 21 S 7.97 4.31 0.00 3.74 3.16 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 22 Y 8.20 4.76 0.00 2.81 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 23 S 8.15 4.73 0.00 4.10 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 24 S 7.82 4.63 0.00 4.01 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 25 Y 8.16 4.80 0.00 3.10 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 26 G 8.12 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 9.41 4.56 0.00 2.82 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 28 Y 8.68 4.46 0.00 3.54 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 29 C 8.54 4.78 0.00 3.50 3.54 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 0.00 0.00 0.00 0.00 30 G 10.37 4.58 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 0.00 31 W 7.94 4.96 0.00 3.26 3.34 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 32 G 8.93 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 33 G 9.42 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 0.00 0.00 0.00 0.00 34 K 7.56 4.78 0.00 1.71 1.90 0.00 1.80 0.00 0.00 2.41 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 35 G 9.41 4.48 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 0.00 36 T 8.00 4.31 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 1.16 0.00 0.00 37 P 0.00 4.64 0.00 1.95 2.05 0.00 3.48 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 1.59 1.79 0.00 38 K 8.74 3.79 0.00 0.79 0.74 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.89 0.21 7.81 39 D 7.30 4.41 0.00 2.81 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 40 A 8.65 4.01 1.43 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 41 T 8.06 4.02 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 0.92 0.00 0.00 42 D 8.89 4.61 0.00 2.99 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 43 R 8.25 3.95 0.00 2.09 1.95 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 44 C 8.33 4.20 0.00 3.30 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 45 C 8.22 4.35 0.00 3.40 3.53 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 46 F 8.55 3.64 0.00 2.65 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 47 V 8.04 3.46 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 0.91 0.00 0.00 1.06 0.00 0.00 48 H 8.28 3.87 0.00 3.10 3.28 0.00 5.64 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 8.20 4.12 0.00 2.61 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 50 C 7.86 4.07 0.00 2.92 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 51 C 7.99 4.11 0.00 2.94 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 52 Y 7.99 4.35 0.00 3.01 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 53 G 8.01 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.85 4.57 0.00 2.84 2.85 0.00 0.00 6.78 7.83 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 55 L 7.49 4.81 0.00 1.58 1.52 0.87 0.85 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 56 P 0.00 4.14 0.00 2.14 2.11 0.00 3.72 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 2.10 2.12 0.00 *59 D 7.88 5.00 0.00 2.74 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 *61 C 7.66 5.05 0.00 3.03 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 *67 N 7.97 4.72 0.00 2.73 2.77 0.00 0.00 7.59 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 68 P 0.00 3.97 0.00 1.32 0.49 0.00 3.35 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 1.29 1.35 0.00 69 K 8.10 4.10 0.00 1.82 1.90 0.00 1.62 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.45 7.81 70 S 7.78 4.43 0.00 3.94 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 71 D 8.11 4.40 0.00 2.73 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 72 R 8.41 4.49 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 73 Y 7.84 4.96 0.00 3.06 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 74 K 8.57 4.99 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.27 5.52 0.00 3.10 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 76 K 9.22 4.71 0.00 1.80 1.91 0.00 1.29 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.54 5.09 0.00 1.73 2.15 0.00 3.39 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 78 V 8.81 4.13 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 8.64 4.15 0.00 2.91 2.74 0.00 0.00 7.13 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 80 G 8.73 3.70 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 0.00 0.00 0.00 81 A 7.84 4.20 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 82 I 8.19 4.60 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.77 0.00 0.00 83 V 8.96 4.34 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.91 4.84 0.00 2.97 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 E 8.94 4.78 0.00 2.03 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 2.31 2.47 0.00 86 K 7.94 4.40 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.72 4.24 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 90 S 8.49 4.08 0.00 4.05 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 91 C 8.15 4.23 0.00 2.97 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 92 E 8.15 4.00 0.00 2.31 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 0.00 2.54 2.54 0.00 93 N 8.32 4.27 0.00 2.85 2.84 0.00 0.00 7.08 7.30 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 94 R 7.99 3.96 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 95 I 8.02 3.62 2.04 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 1.18 0.76 0.96 0.00 0.00 96 C 7.94 2.93 0.00 2.21 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 97 E 7.94 3.78 0.00 2.07 1.89 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 2.43 2.42 0.00 98 C 8.04 4.18 0.00 3.20 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 99 D 7.96 3.83 0.00 2.71 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 0.00 100 K 8.17 3.69 0.00 1.63 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.77 3.86 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 0.00 102 A 7.74 3.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.85 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 0.00 104 I 7.75 3.61 1.94 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 1.38 0.65 0.88 0.00 0.00 105 C 8.05 4.18 0.00 2.91 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 0.00 106 F 8.10 4.60 0.00 3.01 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 0.00 107 R 8.10 3.95 0.00 1.97 2.14 0.00 3.17 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.34 4.22 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.70 5.08 0.00 3.00 2.86 0.00 0.00 6.83 6.97 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 0.00 110 L 7.84 4.19 0.00 1.80 1.76 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.31 4.53 0.00 2.87 3.00 0.00 0.00 5.80 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 0.00 112 T 7.81 4.59 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 1.27 0.00 0.00 113 Y 7.82 4.09 0.00 3.01 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 0.00 114 S 8.75 4.73 0.00 3.83 3.54 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 0.00 0.00 0.00 0.00 115 K 8.84 4.12 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.61 7.81 116 K 7.76 3.82 0.00 1.60 1.71 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.19 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.59 0.25 7.81 117 Y 7.29 4.42 0.00 1.71 1.85 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 0.00 118 M 7.70 4.44 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 119 L 8.26 3.67 0.00 1.82 1.74 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.14 4.17 0.00 3.04 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 0.00 121 P 0.00 4.37 0.00 2.41 2.18 0.00 2.80 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 1.43 1.81 0.00 122 D 8.98 4.25 0.00 2.76 2.81 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 *124 F 7.84 4.73 0.00 3.23 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 0.00 125 L 6.79 3.81 0.00 1.07 1.51 0.44 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.10 4.90 0.00 3.02 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 0.00 127 K 8.39 4.71 0.00 1.78 1.68 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 128 G 8.85 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 0.00 0.00 0.00 0.00 129 E 8.33 4.64 0.00 2.02 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 0.00 2.35 2.28 0.00 130 L 8.37 4.68 0.00 1.57 1.54 0.54 0.15 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 0.00 131 K 8.55 4.14 0.00 1.83 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.49 7.81 *133 C 8.63 4.65 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.