NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 E 4.2850 8.5445 116.5746 55.5721 31.4367 175.4618 4 E 4.8539 8.1850 117.8427 51.3584 32.8219 173.5686 5 W 4.5278 7.9357 114.8283 59.5481 29.8042 175.2621 6 Y 4.9700 7.5587 120.6003 57.5565 38.2802 174.4603 7 F 4.4195 9.5436 125.9699 56.1522 40.7474 177.7060 8 G 3.5998 5.3800 112.6810 46.8143 0.0000 174.8394 9 K 4.6860 8.5370 118.5387 56.0959 32.3422 176.7179 10 I 4.0856 7.0657 110.7258 60.2997 38.6991 176.4382 11 T 4.0161 8.3629 112.8385 61.6443 70.6353 175.1172 12 R 3.8457 8.8133 125.7287 59.8387 30.1290 178.8128 13 R 4.0740 7.9320 117.7594 59.2964 30.0966 177.9438 14 E 3.9191 12.0000 119.4418 58.8495 29.0882 178.5227 15 S 3.9981 8.3166 114.9578 61.8088 62.7514 176.5028 16 E 3.9371 8.2385 122.2881 58.7779 29.0345 179.1905 17 A 3.9944 7.9342 119.3809 55.1517 18.3511 179.3486 18 L 4.0455 8.0722 117.3888 58.0776 41.5465 179.5385 19 L 3.9870 7.8269 117.7185 57.9732 41.6886 179.1100 20 L 4.3495 7.5592 114.8242 53.9474 41.8471 176.6465 21 N 4.2803 7.5090 119.5315 53.3947 39.1114 173.9036 22 P 4.4825 0.0000 0.0000 64.7279 31.8675 177.2181 23 E 4.0421 8.4295 119.1072 59.3729 29.5130 177.6122 24 N 4.4175 7.9288 116.9764 52.4749 39.0277 173.4238 25 P 4.5604 0.0000 0.0000 61.4976 32.6803 175.6574 26 R 4.1293 8.2119 117.7412 58.2532 30.4140 177.6206 27 G 4.1614 9.2152 109.6317 46.5031 0.0000 173.4927 28 T 4.7956 7.7422 117.8615 63.9302 69.5520 173.4450 29 F 5.6581 9.0100 119.9027 55.5637 42.0975 173.0180 30 L 4.9754 8.9682 118.6740 54.4983 44.5075 174.5960 31 V 5.1619 9.2813 120.3953 61.3587 33.9154 174.7075 32 R 5.0513 9.3451 123.4443 53.9705 33.4857 174.2565 33 E 4.3744 8.8465 119.5128 56.5715 30.0293 177.1575 34 S 4.2399 8.5667 118.7377 58.1161 62.7030 174.9193 35 E 3.7497 9.1833 127.8621 58.8173 29.5820 177.8750 36 T 4.2883 7.3431 107.0311 62.4279 70.7932 174.4497 37 T 4.2870 7.7575 120.1457 61.6093 68.4695 174.3466 38 K 4.2012 8.3793 126.9521 57.3460 32.6935 177.9462 39 G 3.8739 8.8000 110.9245 45.3724 0.0000 173.3964 40 A 4.5892 7.4206 121.2044 51.4454 21.0739 175.5497 41 Y 5.2199 8.7310 116.1948 56.4244 42.4975 174.3790 42 C 5.2512 9.7395 119.5927 58.1014 35.5566 172.3989 43 L 5.0810 9.1873 128.8224 54.1347 43.2495 175.0521 44 S 5.2005 9.1910 123.7402 56.7618 65.5869 173.5211 45 V 5.1265 8.6910 124.9606 60.9061 34.7546 174.5681 46 S 4.8682 9.4296 123.0150 58.3761 64.7990 172.7820 47 D 5.0778 9.1669 122.5426 53.2894 45.0904 173.2676 48 F 5.2846 8.4948 118.8178 57.3573 42.2853 173.4926 49 D 4.8746 7.9462 124.5593 51.3220 42.8047 176.0840 50 N 4.2339 8.7854 115.8870 54.5799 37.8649 176.4145 51 A 4.0369 7.7535 122.0941 55.3322 18.7373 178.9793 52 K 3.9985 8.0526 113.4295 56.7890 33.3192 179.9528 53 G 3.3473 7.7620 108.4025 45.3251 0.0000 172.8183 54 L 4.7465 8.6446 122.6533 55.4512 42.1883 176.5928 55 N 5.0362 8.9561 119.6726 51.8413 41.1549 173.6181 56 V 4.8496 8.2667 112.3979 59.6169 34.7682 175.2394 57 K 4.4757 8.6526 123.0370 55.0791 34.6573 175.0093 58 H 5.2082 8.3239 119.8833 54.1701 31.6308 172.6009 59 Y 4.5982 8.7683 121.2010 55.6430 40.3038 175.2062 60 K 4.4648 8.8901 126.5839 56.6374 33.4020 175.9350 61 I 4.5757 8.9438 128.9612 59.9910 38.8656 175.3211 62 R 4.5650 8.4593 127.0277 55.0000 32.1291 175.6663 63 K 4.6664 8.1358 122.1142 54.2636 34.4932 175.8139 64 L 4.1565 8.9077 128.7450 54.8865 42.1913 177.7705 65 D 4.3490 8.5637 124.2013 56.7086 39.5707 178.6438 66 S 4.4136 8.1662 114.3188 59.1770 64.2863 174.7344 67 G 3.6801 7.6901 113.3636 45.2045 0.0000 172.9918 68 G 4.1258 8.5481 112.2690 45.1209 0.0000 172.2414 69 F 5.3803 9.4639 119.2930 57.4116 40.3909 174.9037 70 Y 5.2821 9.0491 119.5850 56.7166 41.1684 175.3840 71 I 4.2132 9.0217 121.4978 63.5975 38.4843 176.0965 72 T 4.6828 7.8303 116.7774 61.8667 69.5985 176.2178 73 S 2.9955 8.6130 120.7329 60.1200 63.0333 174.9561 74 R 3.9511 7.7158 119.6183 57.2793 30.1211 175.9816 75 T 4.1002 7.6494 113.5693 62.2496 69.0534 173.0919 76 Q 4.7577 7.6563 124.1210 53.8408 31.5610 175.3885 77 F 4.9518 8.7863 117.8551 55.8491 42.6152 176.2428 78 S 4.6435 9.0729 117.6066 59.3391 63.5120 174.2289 79 S 4.3291 7.5500 115.2487 56.4904 66.3176 175.6423 80 L 3.5026 7.4313 121.9896 57.7957 41.2419 179.4747 81 Q 3.8830 8.1576 118.9920 59.3367 28.9621 178.3051 82 Q 3.9243 7.9884 118.8637 58.4993 28.6939 178.1168 83 L 2.4400 7.3123 121.4188 57.7862 42.0182 179.2314 84 V 3.1205 7.3251 117.6612 65.7871 31.0747 177.7361 85 A 3.8820 7.7809 119.5619 55.4032 18.3977 178.3754 86 Y 3.9092 7.8569 117.8963 61.4859 38.8093 178.1625 87 Y 4.9339 7.9686 118.2515 59.9825 37.7785 178.5277 88 S 4.1993 7.7858 115.8376 60.8090 62.8713 175.7798 89 K 4.1120 7.6782 120.1956 56.4345 33.0596 176.7635 90 H 4.7350 6.8809 114.9263 53.3959 32.3022 173.9716 91 A 3.8217 8.8921 127.1595 55.0306 18.9732 177.0905 92 D 4.3112 9.2083 112.2169 55.2886 39.3392 173.7226 93 G 4.1040 8.0779 107.1652 45.6158 0.0000 172.8994 94 L 3.9690 7.7399 120.0193 54.2796 42.1098 177.7986 95 C 4.1408 8.6312 115.7814 61.6960 29.5570 173.7891 96 H 4.4831 7.3427 115.2325 54.6808 32.5063 173.2794 97 R 4.0433 8.0070 125.4601 56.2415 30.4829 175.6597 98 L 4.2803 8.2210 125.5122 56.6628 41.9685 174.2728 99 T 4.4279 9.3622 111.8486 62.0329 70.5774 176.5079 100 N 4.7303 9.5368 115.7765 52.7653 40.4935 175.6064 101 V 3.4340 8.2753 115.7207 60.8903 32.7324 175.5623 102 C 4.3111 8.4148 125.5869 58.8248 31.7036 171.7966 103 P 4.5293 0.0000 0.0000 63.6474 32.2084 176.2685 104 T 3.5664 8.6439 115.3332 64.0853 67.8519 171.8508 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 *3 E 8.54 4.28 0.00 2.01 1.81 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 2.13 1.88 0.00 4 E 8.18 4.85 0.00 2.03 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 2.13 1.93 0.00 5 W 7.94 4.53 0.00 3.68 3.35 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 6 Y 7.56 4.97 0.00 2.71 2.76 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 7 F 9.54 4.42 0.00 3.08 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 8 G 5.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.69 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.47 7.81 10 I 7.07 4.09 1.92 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 1.44 0.54 1.08 0.00 0.00 11 T 8.36 4.02 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 1.21 0.00 0.00 12 R 8.81 3.85 0.00 1.87 1.99 0.00 2.96 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.00 13 R 7.93 4.07 0.00 1.87 1.90 0.00 3.39 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 14 E 12.00 3.92 0.00 2.13 1.93 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 2.32 2.38 0.00 15 S 8.32 4.00 0.00 3.99 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 16 E 8.24 3.94 0.00 2.18 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 2.38 2.60 0.00 17 A 7.93 3.99 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 18 L 8.07 4.05 0.00 1.92 1.61 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.83 3.99 0.00 1.55 1.72 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.56 4.35 0.00 1.73 1.70 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.51 4.28 0.00 2.72 2.71 0.00 0.00 6.95 7.38 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 22 P 0.00 4.48 0.00 2.22 2.17 0.00 3.83 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 1.99 1.99 0.00 23 E 8.43 4.04 0.00 2.22 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 2.35 2.33 0.00 24 N 7.93 4.42 0.00 2.97 2.77 0.00 0.00 7.12 8.40 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 25 P 0.00 4.56 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 26 R 8.21 4.13 0.00 1.53 1.57 0.00 3.23 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 27 G 9.22 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 28 T 7.74 4.80 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 1.23 0.00 0.00 29 F 9.01 5.66 0.00 3.09 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 30 L 8.97 4.98 0.00 1.65 1.33 0.19 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.28 5.16 2.76 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 1.17 0.00 0.00 1.01 0.00 0.00 32 R 9.35 5.05 0.00 2.00 1.98 0.00 3.03 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 33 E 8.85 4.37 0.00 2.12 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 2.21 2.38 0.00 34 S 8.57 4.24 0.00 3.93 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 35 E 9.18 3.75 0.00 1.97 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 2.30 0.00 36 T 7.34 4.29 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 1.19 0.00 0.00 37 T 7.76 4.29 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 38 K 8.38 4.20 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.25 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 39 G 8.80 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 40 A 7.42 4.59 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 41 Y 8.73 5.22 0.00 3.09 3.17 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 0.00 42 C 9.74 5.25 0.00 2.97 2.80 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 43 L 9.19 5.08 0.00 1.81 1.68 0.54 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.19 5.20 0.00 3.77 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 45 V 8.69 5.13 2.24 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 1.08 0.00 0.00 1.03 0.00 0.00 46 S 9.43 4.87 0.00 3.91 3.98 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 47 D 9.17 5.08 0.00 2.76 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 48 F 8.49 5.28 0.00 3.10 2.89 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 49 D 7.95 4.87 0.00 2.60 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 50 N 8.79 4.23 0.00 2.87 3.11 0.00 0.00 6.08 7.26 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 51 A 7.75 4.04 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 52 K 8.05 4.00 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.30 7.81 53 G 7.76 3.35 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 0.00 54 L 8.64 4.75 0.00 1.61 1.70 1.15 0.93 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 55 N 8.96 5.04 0.00 2.76 2.80 0.00 0.00 6.35 8.49 0.00 0.00 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 V 8.27 4.85 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 0.72 0.00 0.00 0.73 0.00 0.00 57 K 8.65 4.48 0.00 1.61 1.30 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.59 7.81 58 H 8.32 5.21 0.00 2.88 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.77 4.60 0.00 2.92 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 60 K 8.89 4.46 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 61 I 8.94 4.58 2.12 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 1.30 0.66 1.16 0.00 0.00 62 R 8.46 4.57 0.00 0.91 1.46 0.00 3.08 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 63 K 8.14 4.67 0.00 1.43 1.50 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.85 0.21 7.81 64 L 8.91 4.16 0.00 1.82 1.60 1.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.56 4.35 0.00 2.78 2.78 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 0.00 0.00 0.00 0.00 66 S 8.17 4.41 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 67 G 7.69 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 68 G 8.55 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.46 5.38 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 5.28 0.00 3.39 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 I 9.02 4.21 1.98 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.97 0.00 0.00 72 T 7.83 4.68 4.31 0.00 0.00 0.00 0.00 0.00 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 73 S 8.61 3.00 0.00 3.40 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 74 R 7.72 3.95 0.00 1.68 1.90 0.00 3.14 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 75 T 7.65 4.10 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 0.65 0.00 0.00 76 Q 7.66 4.76 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 77 F 8.79 4.95 0.00 3.22 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 78 S 9.07 4.64 0.00 4.11 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 79 S 7.55 4.33 0.00 3.94 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 80 L 7.43 3.50 0.00 1.52 1.54 0.37 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.16 3.88 0.00 2.66 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 82 Q 7.99 3.92 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 83 L 7.31 2.44 0.00 1.15 1.44 0.79 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.33 3.12 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 0.39 0.00 0.00 -0.03 0.00 0.00 85 A 7.78 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.86 3.91 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.93 0.00 2.87 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 88 S 7.79 4.20 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 89 K 7.68 4.11 0.00 1.37 1.48 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.29 7.81 90 H 6.88 4.74 0.00 2.51 2.93 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.89 3.82 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 92 D 9.21 4.31 0.00 2.80 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 93 G 8.08 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 94 L 7.74 3.97 0.00 1.67 1.26 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.63 4.14 0.00 3.34 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 96 H 7.34 4.48 0.00 3.23 3.18 0.00 5.96 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.01 4.04 0.00 1.78 1.63 0.00 3.17 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 98 L 8.22 4.28 0.00 1.40 0.87 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.36 4.43 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 1.38 0.00 0.00 100 N 9.54 4.73 0.00 2.72 2.79 0.00 0.00 6.86 7.70 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 0.00 101 V 8.28 3.43 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 0.61 0.00 0.00 0.94 0.00 0.00 102 C 8.41 4.31 0.00 2.80 2.48 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 0.00 103 P 0.00 4.53 0.00 2.24 2.05 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 104 T 8.64 3.57 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.