NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3374 8.3193 115.2909 57.3645 63.1586 174.8745 2 L 4.4348 8.7783 126.0093 51.9917 42.1672 175.0548 3 S 4.6762 9.2292 120.2708 57.2405 65.4689 174.8591 4 I 4.6550 7.8727 122.2128 60.5618 41.4573 176.1301 5 G 4.1018 9.6510 108.1851 44.6624 0.0000 171.7075 6 R 4.8224 8.7719 115.1302 55.1996 33.7052 175.5620 7 T 4.5505 8.4572 106.6561 62.0003 70.1577 173.8049 8 C 5.2906 7.5079 122.3760 58.4831 34.5865 172.8456 9 W 5.2381 9.7633 125.3152 54.9667 33.4239 174.0380 10 A 5.2503 8.7500 122.1581 50.4586 22.0982 175.7236 11 I 4.5489 9.0390 121.4824 59.4209 39.8816 176.6874 12 A 3.9033 8.9802 130.7739 53.7539 18.7149 176.4240 13 E 4.5704 7.5920 116.1311 54.5072 32.3396 175.6974 14 G 3.1073 7.7095 109.4140 44.9812 0.0000 171.4980 15 Y 5.2951 8.0246 123.2771 56.7260 42.6473 172.6813 16 I 4.5291 7.6699 126.9862 58.5346 39.9746 173.4261 17 P 4.4203 0.0000 0.0000 61.9580 31.7690 174.3045 18 P 4.3802 0.0000 0.0000 62.3642 31.8216 175.1506 19 Y 4.8634 7.5301 120.6353 54.1881 40.9564 175.0419 20 G 3.9859 8.8531 110.3822 45.8379 0.0000 174.1255 21 N 4.8479 8.4302 116.4972 52.1652 37.0745 174.8084 22 G 3.8950 7.4346 112.0023 44.4781 0.0000 168.6786 23 P 4.5603 0.0000 0.0000 61.2989 32.6004 176.0020 24 E 2.8485 8.5071 122.2851 54.4677 28.1656 173.5306 25 P 3.9512 0.0000 0.0000 61.7788 30.4959 175.4640 26 Q 3.9180 8.4873 123.6029 56.5812 27.4183 176.8240 *30 H 4.4882 8.0997 126.0744 55.3498 29.9494 174.8461 31 E 4.1458 8.1113 120.8339 58.3534 30.2597 175.9052 32 T 5.0867 8.4774 123.0198 61.5107 73.0966 173.5105 33 V 4.2864 8.3556 124.6553 61.4828 33.6243 174.0597 34 C 4.6767 8.9167 127.1631 58.5387 29.9343 173.0136 35 I 4.8180 8.3617 124.0194 59.2414 40.4623 174.1888 36 L 4.8310 8.8483 128.2200 53.3376 45.2629 174.6946 37 N 5.3846 9.1843 124.3417 51.7335 39.7414 173.8468 38 A 4.3221 8.5766 123.4915 52.1688 19.6813 177.2400 39 G 3.9177 7.8983 104.0714 45.8028 0.0000 174.1168 40 D 4.9832 8.6534 117.2961 53.8748 41.4075 176.0208 41 E 4.7575 7.6652 120.2181 53.8569 32.0554 175.2673 42 D 4.6162 8.8622 125.6542 54.8597 42.0406 175.5790 43 A 4.6164 9.0664 124.8263 51.0465 20.8776 176.0390 44 H 5.0437 9.6492 121.9464 54.8647 28.8261 174.5830 45 V 4.3200 8.4788 123.4480 62.5149 33.2481 174.4835 46 E 4.9500 9.4602 126.1530 54.8793 33.1252 174.4836 47 I 5.0271 8.7792 125.7978 59.9584 39.9195 174.9395 48 T 4.9950 8.9713 122.5302 61.8412 72.0500 172.8358 49 I 4.7906 8.0012 125.6903 59.9204 39.4930 174.4409 50 Y 4.9141 9.5508 125.2217 56.5099 41.0094 174.2017 51 Y 5.2394 8.4248 118.1857 56.3455 41.7500 175.6986 52 S 4.5533 9.1062 114.1695 59.5479 63.8420 174.6241 53 D 4.8729 8.2810 117.8044 52.2000 40.8757 174.9692 54 K 4.6971 7.8526 117.0283 54.3082 35.5640 175.1996 55 E 4.3126 8.4404 118.3383 55.2781 30.0399 175.2937 56 P 4.4076 0.0000 0.0000 63.0532 32.4651 176.0451 57 V 4.1125 8.8051 123.7163 62.6629 32.8924 175.1633 58 G 3.9145 8.1348 114.8198 41.0000 0.0000 171.2374 59 P 4.5621 0.0000 0.0000 63.2151 31.9824 176.5186 60 Y 4.4371 9.3501 124.5312 56.7317 38.3352 175.6482 61 R 4.7756 8.4217 123.2815 56.0822 31.6674 175.7247 62 L 4.4531 7.7827 121.0362 55.1458 46.4243 173.0136 63 T 5.1100 8.6142 118.7086 61.7410 72.4091 173.9376 64 V 4.2583 8.9001 125.6305 60.2554 33.3866 172.9285 65 P 4.8544 0.0000 0.0000 62.6091 31.9400 176.3502 66 A 4.1430 9.0637 124.3502 52.6383 19.1028 177.5749 67 R 3.7403 8.4167 117.1855 56.8020 28.5517 176.1787 68 R 4.7479 7.9528 114.1226 55.2602 35.6080 175.3408 69 T 4.9870 7.8785 114.9399 60.4484 70.9983 173.0816 70 K 4.1713 8.5351 119.4035 56.0406 36.1533 173.3125 71 H 5.0000 9.0783 125.7536 55.0252 30.0657 174.9600 72 V 4.2375 8.4534 123.2934 60.8953 33.9782 174.9184 73 R 4.4693 8.4489 128.0609 55.6913 30.9742 177.8570 74 F 4.0797 8.9296 122.3307 60.5841 39.2369 177.2564 75 N 4.4116 8.3588 117.8924 56.6604 38.8210 175.3958 76 D 4.5794 7.8842 116.5204 55.8823 40.9126 176.7544 77 L 4.3755 7.8535 121.1273 54.8416 42.3607 177.2374 78 N 5.1393 8.8093 115.7698 52.5206 41.2678 173.2762 79 D 5.0706 7.9245 118.3055 51.3774 43.3406 173.6543 80 P 4.1549 0.0000 0.0000 65.3982 31.5488 176.0191 81 A 4.9560 6.8759 116.6861 50.7922 21.8773 173.7843 82 P 4.8682 0.0000 0.0000 61.7062 32.1979 176.2912 83 I 4.1977 7.9842 121.1106 59.4117 37.9664 174.5249 84 P 4.2140 0.0000 0.0000 63.1214 31.6267 176.1591 85 H 4.3650 8.5528 119.7219 55.5923 29.6904 173.8252 86 D 4.3076 8.7109 117.9634 54.2900 39.9358 173.8526 87 T 4.8180 7.5295 111.9203 61.7768 72.5278 173.6094 88 D 5.1206 9.0818 126.6039 54.2380 41.5383 175.3972 89 F 5.2531 8.7725 119.0464 55.3162 41.3410 173.5374 90 A 4.7364 8.6515 118.5525 51.0075 22.9561 175.4937 91 S 5.2320 9.2015 113.0157 56.8895 67.3747 172.9936 92 V 4.9661 9.0639 120.8283 61.3000 34.3810 174.0935 93 I 4.9742 9.2143 128.8148 59.7952 39.5220 174.6996 94 Q 5.3385 9.1719 125.7062 54.3609 32.4878 174.5311 95 S 5.3079 8.9640 115.2548 56.1265 65.5205 173.6546 96 N 4.6856 8.9517 120.7360 54.8507 37.9392 175.3058 97 V 4.6458 7.8229 111.1607 58.2963 35.7147 173.9987 98 P 4.6569 0.0000 0.0000 63.4449 31.8153 175.7547 99 I 4.8874 9.2845 116.8082 59.3906 41.9155 173.7723 100 V 4.5873 8.4388 122.8649 61.1211 33.4850 174.5480 101 V 4.4553 5.7491 126.6276 60.8626 34.2093 174.2804 102 Q 4.4563 8.7600 127.5514 54.7981 32.6155 172.8288 103 H 5.5684 8.9222 125.3983 54.6702 32.6034 173.2177 104 T 4.2135 8.0634 112.4829 60.3608 69.7616 173.7152 105 R 3.7728 8.9681 126.8537 56.3444 31.2413 176.2024 106 L 3.9798 7.2818 124.7310 55.4091 43.0164 175.0216 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 8.32 4.34 0.00 3.92 3.69 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 2 L 8.78 4.43 0.00 1.82 1.64 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.23 4.68 0.00 4.02 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 4 I 7.87 4.66 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.97 0.00 0.00 5 G 9.65 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 6 R 8.77 4.82 0.00 1.65 1.83 0.00 2.25 0.00 0.00 2.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.71 0.00 7 T 8.46 4.55 4.45 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 1.26 0.00 0.00 8 C 7.51 5.29 0.00 2.95 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 9 W 9.76 5.24 0.00 3.25 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 10 A 8.75 5.25 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 11 I 9.04 4.55 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.98 0.00 0.00 12 A 8.98 3.90 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 13 E 7.59 4.57 0.00 1.86 1.76 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 2.12 2.22 0.00 14 G 7.71 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 0.00 0.00 0.00 15 Y 8.02 5.30 0.00 2.96 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 16 I 7.67 4.53 1.63 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 1.42 1.06 0.65 0.00 0.00 17 P 0.00 4.42 0.00 2.21 2.15 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 18 P 0.00 4.38 0.00 2.18 2.06 0.00 3.82 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 2.05 2.19 0.00 19 Y 7.53 4.86 0.00 3.04 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 20 G 8.85 3.99 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 0.00 0.00 0.00 21 N 8.43 4.85 0.00 2.74 2.82 0.00 0.00 6.59 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 22 G 7.43 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 23 P 0.00 4.56 0.00 2.01 1.96 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 24 E 8.51 2.85 0.00 1.68 1.72 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 2.00 1.65 0.00 25 P 0.00 3.95 0.00 2.15 2.02 0.00 3.15 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 26 Q 8.49 3.92 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.33 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 *30 H 8.10 4.49 0.00 3.36 3.46 0.00 5.54 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.11 4.15 0.00 2.35 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 0.00 2.52 2.83 0.00 32 T 8.48 5.09 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 33 V 8.36 4.29 1.69 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 0.80 0.00 0.00 0.38 0.00 0.00 34 C 8.92 4.68 0.00 2.79 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 35 I 8.36 4.82 1.79 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 0.94 0.58 0.87 0.00 0.00 36 L 8.85 4.83 0.00 1.65 1.40 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.18 5.38 0.00 2.77 2.88 0.00 0.00 6.86 9.14 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 38 A 8.58 4.32 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 39 G 7.90 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 0.00 0.00 0.00 40 D 8.65 4.98 0.00 2.67 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 41 E 7.67 4.76 0.00 1.93 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 2.12 2.27 0.00 42 D 8.86 4.62 0.00 2.56 2.61 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 43 A 9.07 4.62 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 44 H 9.65 5.04 0.00 3.08 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.48 4.32 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 0.99 0.00 0.00 0.95 0.00 0.00 46 E 9.46 4.95 0.00 1.94 1.86 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 2.26 2.31 0.00 47 I 8.78 5.03 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.99 0.00 0.00 48 T 8.97 4.99 4.40 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 0.86 0.00 0.00 49 I 8.00 4.79 1.74 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 0.78 0.63 0.32 0.00 0.00 50 Y 9.55 4.91 0.00 2.73 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 51 Y 8.42 5.24 0.00 3.06 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 52 S 9.11 4.55 0.00 4.04 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 53 D 8.28 4.87 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 54 K 7.85 4.70 0.00 1.84 1.80 0.00 1.38 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.22 1.37 7.81 55 E 8.44 4.31 0.00 2.01 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 2.35 2.30 0.00 56 P 0.00 4.41 0.00 1.67 1.01 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 57 V 8.81 4.11 2.37 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 1.08 0.00 0.00 1.21 0.00 0.00 58 G 8.13 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 0.00 0.00 0.00 59 P 0.00 4.56 0.00 1.94 2.06 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 60 Y 9.35 4.44 0.00 3.05 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 61 R 8.42 4.78 0.00 1.70 1.86 0.00 3.23 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 62 L 7.78 4.45 0.00 1.66 1.47 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.61 5.11 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 1.30 0.00 0.00 64 V 8.90 4.26 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 1.03 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.85 0.00 1.97 2.00 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 66 A 9.06 4.14 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 67 R 8.42 3.74 0.00 1.89 1.95 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 68 R 7.95 4.75 0.00 1.91 1.74 0.00 3.23 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 69 T 7.88 4.99 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 1.20 0.00 0.00 70 K 8.54 4.17 0.00 1.80 1.57 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.22 1.31 7.81 71 H 9.08 5.00 0.00 2.99 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.45 4.24 1.86 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 0.90 0.00 0.00 0.85 0.00 0.00 73 R 8.45 4.47 0.00 2.05 1.89 0.00 3.34 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 74 F 8.93 4.08 0.00 3.24 3.07 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 75 N 8.36 4.41 0.00 2.78 2.95 0.00 0.00 7.00 8.47 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 76 D 7.88 4.58 0.00 2.91 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 77 L 7.85 4.38 0.00 2.05 1.68 0.93 -0.00 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 78 N 8.81 5.14 0.00 2.92 3.04 0.00 0.00 5.65 8.07 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 79 D 7.92 5.07 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 1.81 1.94 0.00 2.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 81 A 6.88 4.96 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 82 P 0.00 4.87 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 I 7.98 4.20 1.67 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 0.77 0.12 0.36 0.00 0.00 84 P 0.00 4.21 0.00 1.97 1.91 0.00 3.66 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 1.72 1.99 0.00 85 H 8.55 4.37 0.00 2.97 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.71 4.31 0.00 2.67 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 87 T 7.53 4.82 4.54 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 1.41 0.00 0.00 88 D 9.08 5.12 0.00 2.66 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 89 F 8.77 5.25 0.00 2.70 2.83 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 90 A 8.65 4.74 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 91 S 9.20 5.23 0.00 4.13 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 92 V 9.06 4.97 2.37 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 1.17 0.00 0.00 1.05 0.00 0.00 93 I 9.21 4.97 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.96 0.00 0.00 94 Q 9.17 5.34 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 8.96 5.31 0.00 3.91 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 96 N 8.95 4.69 0.00 2.78 2.96 0.00 0.00 5.84 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 97 V 7.82 4.65 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 0.70 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.66 0.00 2.03 2.24 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.28 4.89 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.99 0.00 0.00 100 V 8.44 4.59 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 0.89 0.00 0.00 1.00 0.00 0.00 101 V 5.75 4.46 0.67 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 0.62 0.00 0.00 0.09 0.00 0.00 102 Q 8.76 4.46 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 103 H 8.92 5.57 0.00 3.17 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.06 4.21 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 0.00 105 R 8.97 3.77 0.00 1.75 1.87 0.00 3.13 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 106 L 7.28 3.98 0.00 1.70 2.03 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.