NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3962 8.3349 115.4597 58.2763 64.4886 172.6863 3 Y 5.2232 8.8909 120.0182 54.4395 41.9332 174.0547 4 S 5.0657 9.9138 119.0539 57.2366 65.1786 175.3721 5 V 3.7588 8.6922 113.2853 64.3459 31.0884 179.1404 6 G 3.4708 7.9485 105.0181 47.8419 0.0000 175.3086 7 Q 3.4333 7.7758 120.9364 58.6253 28.6654 179.4584 8 V 3.2389 7.4805 118.5258 65.6628 31.5252 177.7405 9 A 4.0882 7.5573 122.4600 54.5352 17.9402 179.9470 10 G 3.4164 7.5566 102.9266 47.6919 0.0000 175.8572 11 F 4.5703 7.6920 119.3893 60.5165 39.1201 177.3981 12 A 4.2700 8.2362 118.8197 52.3137 18.7318 177.2372 13 G 3.7330 8.2455 104.8123 47.2576 0.0000 173.8749 14 V 4.4877 7.2976 110.7926 58.6897 35.2920 175.9708 15 T 3.9052 8.0323 112.1241 61.3410 69.5715 175.3984 16 V 3.3908 8.3965 122.7401 66.3408 31.3644 178.1922 17 R 3.7843 7.8834 117.6919 59.7818 29.7140 178.1961 18 T 3.5042 7.7135 115.2796 66.7632 68.0865 176.5641 19 L 3.8964 7.3337 120.5283 57.6795 41.4181 179.4639 20 H 4.4177 8.2469 116.7355 59.0140 28.7252 177.0555 21 H 4.2210 8.7242 120.2926 59.8195 29.7113 176.8980 22 Y 4.5251 8.1922 118.5913 60.9757 37.4471 178.3329 23 D 4.8098 7.9073 119.1552 57.1436 41.2366 177.8864 24 D 4.4220 8.1825 118.1801 57.6841 40.9221 178.7884 25 I 3.8965 8.0677 119.6508 62.1510 37.1299 176.6587 26 G 3.8247 7.9769 106.8144 46.4356 0.0000 174.1020 27 L 4.2135 8.2308 123.5236 55.7153 43.1573 176.2238 28 L 4.2997 7.6622 120.6047 54.1334 43.2804 173.9420 29 V 4.8450 8.1396 125.8426 59.1776 33.1735 173.3437 30 P 4.0444 0.0000 0.0000 62.6194 31.7434 176.6511 31 S 4.1998 8.2071 116.5603 61.2909 63.2240 173.6451 32 E 4.5957 7.3831 116.4460 55.5490 31.7266 173.3659 33 R 4.9822 7.9949 116.5881 54.1648 34.2412 175.1690 34 S 4.4240 8.6060 114.9361 57.7732 63.8436 174.6624 35 H 4.0110 8.8234 119.8102 59.1100 29.5105 175.9271 36 A 4.0619 7.8603 121.1985 54.4947 18.6287 177.7421 37 G 4.1429 7.7463 102.3810 45.5908 0.0000 173.3663 38 H 4.6515 8.5168 118.2209 55.1154 30.2215 175.5239 39 R 4.2917 8.6840 121.2890 56.3757 31.7343 176.0669 40 R 4.7917 8.4017 120.0288 54.8782 33.5204 173.9424 41 Y 4.8946 9.3642 123.4060 57.0750 40.0806 176.0848 42 S 4.8707 9.1037 118.5157 57.1205 65.9515 174.8666 43 D 4.5220 8.9071 118.4540 57.4186 40.4625 178.4194 44 A 4.0522 8.2157 120.9077 55.7486 18.2194 179.3795 45 D 4.4839 8.2400 116.9992 57.2260 40.8690 179.1709 46 L 4.0118 8.0456 119.7270 57.8892 41.5758 178.7485 47 D 4.3852 8.4274 119.3418 57.6574 40.8443 179.1304 48 R 3.9265 8.0940 118.6492 59.5882 30.0201 178.2028 49 L 4.0528 8.2482 120.0741 58.2663 41.8923 178.9972 50 Q 4.0433 8.1248 118.0531 58.9308 28.6638 178.7169 51 Q 3.9337 7.8425 119.0122 59.0591 28.8210 178.4959 52 I 3.7855 7.8760 120.7079 64.9225 37.2586 178.5104 53 L 4.3136 8.4635 119.6417 57.5141 41.2480 179.5102 54 F 3.9328 8.4723 121.1443 61.6347 39.4209 176.8882 55 Y 4.3639 8.2953 116.3598 60.8671 37.6541 178.0518 56 R 3.9881 8.6996 120.2456 59.9711 29.9523 178.4012 57 E 4.1897 8.0430 116.2838 58.6970 29.3392 178.1480 58 L 4.5515 7.2762 117.8450 54.3420 42.3858 177.2546 59 G 3.8278 8.3754 105.9283 45.9377 0.0000 174.2662 60 F 4.2936 8.0679 119.0547 55.9368 39.5182 174.5893 61 P 4.5208 0.0000 0.0000 62.7138 33.2992 177.6222 62 L 3.9781 8.5338 119.5988 57.5987 41.5951 179.5461 63 D 4.3332 8.0489 119.2132 56.5747 39.4237 178.3945 64 E 3.9530 8.1089 119.7143 58.9136 29.6207 179.1631 65 V 3.3364 8.1558 118.4788 65.6700 31.2697 177.9209 66 A 3.8575 7.6801 119.4160 55.0255 18.6743 179.1304 67 A 4.0141 7.7640 118.9820 55.2950 18.6615 179.4423 68 L 3.7181 7.9839 117.8132 58.2644 41.5368 179.9773 69 L 4.3068 7.5728 115.9305 56.4128 41.5413 177.5934 70 D 4.8831 7.4375 117.2977 54.1888 40.8994 176.8320 71 D 4.4339 7.2676 118.2106 56.3415 41.5597 178.1660 *77 R 4.2282 7.6430 117.8027 55.8487 32.9793 176.3998 78 A 4.4892 7.4909 123.4737 51.0243 17.8858 177.3479 79 H 4.1336 8.0505 122.1765 58.4734 29.2787 177.4268 80 L 3.8118 8.0547 120.1896 58.0238 41.3833 179.1963 81 R 3.8965 7.5914 117.7949 59.7834 30.0401 178.8343 82 R 4.0786 7.9508 115.0856 59.3111 29.7722 178.5321 83 Q 4.1769 8.3914 119.0976 58.9403 28.5831 178.1452 84 H 4.1610 8.5137 119.4692 59.3602 29.8990 177.1995 85 E 4.0580 8.2695 120.3611 59.3293 29.2636 179.4792 86 L 4.0631 8.2010 118.9834 57.9545 41.8265 179.5137 87 L 4.0363 7.9178 118.4572 57.8058 41.3980 179.9642 88 S 4.0365 8.3210 114.9238 61.4247 62.8665 176.0875 89 A 3.9932 8.1058 123.7633 55.6297 18.0512 179.7992 90 R 3.8678 8.1132 116.7294 59.3697 30.0715 178.6893 91 I 3.7503 8.3310 120.2311 64.4518 37.1599 178.5860 92 G 3.6824 8.3348 106.7517 47.4875 0.0000 175.5990 93 K 3.9231 8.0280 121.7506 59.3967 32.1995 179.0136 94 L 3.9709 7.8699 119.2409 57.8948 41.1796 179.2611 95 Q 3.8438 8.4008 118.4214 59.0813 28.6176 179.2888 96 K 4.0259 8.0223 120.4166 59.5449 32.2329 178.7561 97 M 4.0009 8.1370 118.8173 58.5521 31.9632 178.5942 98 A 4.0004 8.8254 121.5489 55.0045 18.3921 179.4373 99 A 3.8952 8.4346 119.5041 55.4329 18.4263 179.7037 100 A 3.9653 8.0909 119.2373 55.1852 18.3786 180.0783 101 V 3.5209 7.7433 116.8274 66.2951 31.3731 178.1461 102 E 3.9983 8.1661 118.3181 59.5838 29.0288 179.4521 103 Q 4.0007 7.8168 116.8375 58.6820 28.7992 178.1667 104 A 4.1376 7.5634 120.9701 55.4261 18.5258 179.3755 105 M 4.1457 8.0315 115.8060 57.5635 32.0546 176.8072 106 E 4.2689 7.6133 123.6902 56.3504 30.0064 175.5771 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 S 8.33 4.40 0.00 3.80 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 3 Y 8.89 5.22 0.00 3.20 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 4 S 9.91 5.07 0.00 3.99 4.09 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 5 V 8.69 3.76 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 1.03 0.00 0.00 0.94 0.00 0.00 6 G 7.95 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 0.00 0.00 0.00 7 Q 7.78 3.43 0.00 2.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 8 V 7.48 3.24 1.71 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 0.77 0.00 0.00 0.95 0.00 0.00 9 A 7.56 4.09 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 10 G 7.56 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 11 F 7.69 4.57 0.00 2.88 2.87 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 12 A 8.24 4.27 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 8.25 3.73 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 0.00 0.00 0.00 14 V 7.30 4.49 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 0.90 0.00 0.00 0.82 0.00 0.00 15 T 8.03 3.91 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 1.16 0.00 0.00 16 V 8.40 3.39 1.96 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 0.85 0.00 0.00 0.84 0.00 0.00 17 R 7.88 3.78 0.00 1.91 1.85 0.00 3.30 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 18 T 7.71 3.50 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 0.40 0.00 0.00 19 L 7.33 3.90 0.00 1.69 1.66 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.25 4.42 0.00 3.34 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.72 4.22 0.00 3.24 3.38 0.00 5.79 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 22 Y 8.19 4.53 0.00 3.03 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 23 D 7.91 4.81 0.00 3.09 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 24 D 8.18 4.42 0.00 2.84 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 25 I 8.07 3.90 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.38 0.89 0.00 0.00 26 G 7.98 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 0.00 0.00 0.00 27 L 8.23 4.21 0.00 1.47 1.76 0.81 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.66 4.30 0.00 1.82 1.73 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.14 4.85 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 1.25 0.00 0.00 0.96 0.00 0.00 30 P 0.00 4.04 0.00 1.79 1.44 0.00 3.85 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 1.77 1.01 0.00 31 S 8.21 4.20 0.00 3.90 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 32 E 7.38 4.60 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 2.24 2.27 0.00 33 R 7.99 4.98 0.00 1.74 1.92 0.00 3.19 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 34 S 8.61 4.42 0.00 3.96 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 35 H 8.82 4.01 0.00 3.12 3.38 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.86 4.06 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 37 G 7.75 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 38 H 8.52 4.65 0.00 3.13 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.68 4.29 0.00 1.89 1.58 0.00 3.31 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 40 R 8.40 4.79 0.00 1.80 1.77 0.00 3.27 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 41 Y 9.36 4.89 0.00 3.19 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 42 S 9.10 4.87 0.00 3.95 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 43 D 8.91 4.52 0.00 2.80 2.84 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 44 A 8.22 4.05 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 45 D 8.24 4.48 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 46 L 8.05 4.01 0.00 1.93 1.71 0.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.43 4.39 0.00 2.93 2.75 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 0.00 0.00 0.00 48 R 8.09 3.93 0.00 2.03 2.16 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 49 L 8.25 4.05 0.00 1.98 1.89 1.08 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 50 Q 8.12 4.04 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 51 Q 7.84 3.93 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 52 I 7.88 3.79 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.74 0.00 0.00 53 L 8.46 4.31 0.00 1.88 1.79 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.47 3.93 0.00 3.14 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 55 Y 8.30 4.36 0.00 3.13 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 56 R 8.70 3.99 0.00 2.00 2.25 0.00 3.31 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 57 E 8.04 4.19 0.00 2.09 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 2.32 2.32 0.00 58 L 7.28 4.55 0.00 1.71 1.67 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.38 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 0.00 0.00 0.00 60 F 8.07 4.29 0.00 3.27 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 P 0.00 4.52 0.00 2.50 2.21 0.00 3.86 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 2.24 2.13 0.00 62 L 8.53 3.98 0.00 1.72 1.69 1.08 0.90 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 63 D 8.05 4.33 0.00 2.87 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 64 E 8.11 3.95 0.00 2.33 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 0.00 2.44 2.41 0.00 65 V 8.16 3.34 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 0.98 0.00 0.00 1.09 0.00 0.00 66 A 7.68 3.86 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 67 A 7.76 4.01 1.33 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 0.00 0.00 68 L 7.98 3.72 0.00 1.30 1.21 -0.38 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.57 4.31 0.00 1.64 1.71 0.94 1.11 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 70 D 7.44 4.88 0.00 2.71 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 71 D 7.27 4.43 0.00 2.67 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 *77 R 7.64 4.23 0.00 1.82 2.04 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 78 A 7.49 4.49 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 79 H 8.05 4.13 0.00 3.14 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.05 3.81 0.00 1.65 1.71 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.59 3.90 0.00 2.01 1.94 0.00 3.09 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 82 R 7.95 4.08 0.00 2.17 2.23 0.00 3.13 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 83 Q 8.39 4.18 0.00 2.05 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 1.74 2.37 0.00 84 H 8.51 4.16 0.00 3.35 3.46 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 85 E 8.27 4.06 0.00 2.32 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 2.39 2.61 0.00 86 L 8.20 4.06 0.00 2.07 1.87 1.41 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.92 4.04 0.00 1.89 1.73 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.32 4.04 0.00 4.01 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 89 A 8.11 3.99 1.42 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 90 R 8.11 3.87 0.00 2.06 2.06 0.00 3.12 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 1.58 1.68 0.00 91 I 8.33 3.75 2.02 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 1.44 0.66 0.91 0.00 0.00 92 G 8.33 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.03 3.92 0.00 1.92 1.99 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 94 L 7.87 3.97 0.00 1.88 1.69 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.40 3.84 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 96 K 8.02 4.03 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 97 M 8.14 4.00 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 98 A 8.83 4.00 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 99 A 8.43 3.90 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 0.00 100 A 8.09 3.97 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 0.00 101 V 7.74 3.52 2.25 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 1.02 0.00 0.00 0.97 0.00 0.00 102 E 8.17 4.00 0.00 2.22 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 2.33 2.47 0.00 103 Q 7.82 4.00 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 104 A 7.56 4.14 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 0.00 105 M 8.03 4.15 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 106 E 7.61 4.27 0.00 1.95 1.96 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 2.30 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.