NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 G 3.9717 8.2133 109.7364 45.0586 0.0000 174.4871 4 W 4.1975 8.2652 121.3460 59.6633 29.2940 176.2849 5 S 4.5270 9.0824 112.7280 60.1067 63.2598 173.9896 6 N 4.7457 7.9911 117.2140 53.4046 38.9228 175.3823 7 F 4.4574 8.0616 118.3030 56.9499 39.8634 175.6568 8 K 4.1299 8.9318 126.7932 58.9495 32.7296 177.1784 9 F 5.4232 8.3935 116.7289 56.0307 43.7249 174.5274 10 L 5.1859 9.2263 124.6199 54.7874 43.4855 173.9729 11 F 5.1919 9.0777 120.9633 55.6496 42.0113 172.9836 12 L 5.4612 8.6314 118.8774 52.8893 44.2922 176.9970 13 S 3.6069 8.9139 117.4035 56.7031 63.9202 173.4487 14 P 4.3459 0.0000 0.0000 65.6708 31.0746 177.4600 15 G 3.7519 7.8375 104.4941 45.4083 0.0000 174.4345 16 G 3.9312 8.5776 108.2833 44.9900 0.0000 173.6152 17 E 4.4643 7.8672 119.5571 55.4909 31.3479 175.2835 18 L 4.8456 8.4387 125.5401 54.4956 43.9721 174.6745 19 Y 5.1230 9.5371 124.7523 56.1337 40.7329 174.9192 20 G 4.9206 10.1306 111.7134 44.6213 0.0000 171.3319 21 V 5.1957 9.5018 125.3115 61.3220 33.9075 174.3685 22 L 4.4286 9.5231 129.8813 54.4841 45.2209 175.8117 23 N 4.3285 9.5727 122.8473 54.9154 35.8485 173.9436 24 D 4.9372 8.1939 115.6289 54.5942 39.4587 173.8171 25 K 4.9994 8.0625 118.5635 54.4356 36.1240 174.7880 26 I 4.8519 7.4890 123.2896 59.3510 40.4105 173.8325 27 Y 5.2285 9.8269 127.0590 56.0133 41.6336 174.6705 28 K 5.6271 9.2489 120.6445 53.4855 36.3408 174.0370 29 G 4.1685 9.1781 110.1550 44.5800 0.0000 172.1451 30 T 3.9060 7.5025 112.4167 59.1443 69.4064 171.5373 31 P 4.2071 0.0000 0.0000 62.0151 31.8454 174.4202 32 P 4.6393 0.0000 0.0000 63.8390 32.0274 176.9021 33 T 4.8009 7.7424 111.7418 60.6356 69.6290 172.1112 34 H 4.2787 7.3539 134.0619 55.7358 35.9308 175.1115 *37 D 4.2809 8.7069 115.0401 53.9725 42.1081 174.2998 38 N 5.0277 8.1066 120.7757 51.1535 39.0097 174.0853 39 W 4.2726 8.5558 131.8559 60.6317 31.2878 176.4447 40 L 3.7281 7.9906 119.4728 57.7397 41.8162 178.6817 41 G 3.7830 7.7971 108.2965 47.9851 0.0000 174.0581 42 R 4.3360 7.4204 114.0150 55.5610 29.6036 175.5075 43 A 4.1434 7.3385 119.8267 50.9266 21.0373 177.8230 44 K 4.1614 8.1235 119.3456 55.1981 33.3333 176.6306 45 K 4.3545 8.8034 128.0377 56.3821 32.2788 176.1984 46 I 4.2685 7.8787 121.0477 60.1473 38.5491 175.6865 47 G 4.0290 7.0116 107.1670 46.0078 0.0000 172.4680 48 D 4.7993 9.2650 122.0019 54.5193 43.9765 175.2207 49 G 3.9753 10.1275 115.4843 46.5963 0.0000 174.4277 50 G 3.8833 9.0668 110.2682 45.5015 0.0000 175.4221 51 W 4.2572 7.8322 119.0126 59.6706 29.2029 177.7145 52 N 4.5775 8.5152 114.3755 54.6570 38.0410 176.1147 53 Q 3.9897 7.7547 116.7293 58.2663 28.9912 176.9714 54 F 4.7936 7.2136 117.0730 57.6131 39.5391 174.8322 55 Q 4.4615 9.0398 124.7425 57.4498 30.1598 175.7961 56 F 5.2320 8.1969 116.1582 56.0090 43.9294 174.0340 57 L 4.5305 8.1675 124.5067 54.6682 43.7601 173.9658 58 F 4.3395 8.0590 120.5411 55.8854 41.4264 173.2988 59 F 5.2877 8.9053 118.6703 56.5197 41.0318 175.1563 60 D 4.8375 9.2548 121.5423 51.4429 41.3819 175.7439 61 P 4.2831 0.0000 0.0000 65.7389 31.3437 177.3111 62 N 4.6504 8.4144 113.0707 53.1760 38.4081 175.4081 63 G 3.8516 8.1835 105.7448 46.2028 0.0000 173.1237 64 Y 4.4707 9.2046 118.3377 56.8279 39.6885 174.3800 65 L 4.2277 8.7963 126.7307 54.2955 43.6049 174.9265 66 Y 4.8628 8.6895 124.1843 56.4957 40.4883 174.6466 67 A 5.0000 8.9570 123.5668 50.4690 23.2212 175.0530 68 V 5.0528 9.0354 122.1848 61.4604 33.8923 174.7028 69 S 4.7943 9.2343 122.1684 57.2964 66.0598 173.9725 70 K 3.9166 9.7918 126.2602 57.7369 29.5072 175.3324 71 D 4.6666 8.5840 114.1484 54.3804 40.2569 172.8840 72 K 4.6425 8.0404 116.8120 54.9148 34.8984 174.3338 73 L 5.4069 7.9385 121.7712 53.6586 44.5356 175.0578 74 Y 4.8147 9.1631 122.6530 56.2460 42.3800 174.5255 75 K 4.5552 8.3251 121.9724 55.1646 35.1999 174.7986 76 A 4.7293 8.9224 127.3907 50.0509 23.1990 173.3633 77 P 4.5561 0.0000 0.0000 62.1959 31.9912 174.9701 78 P 4.5436 0.0000 0.0000 61.7646 32.0115 174.3671 79 P 4.4479 0.0000 0.0000 64.0336 31.9758 175.8865 80 Q 3.4776 8.4758 116.9990 58.4891 26.2597 173.8732 81 S 4.1175 7.5786 111.4422 57.7370 64.5425 174.2919 82 D 5.2222 8.3406 122.7601 51.9279 42.3330 176.5419 83 T 3.9756 8.5189 114.2066 67.3006 68.4613 176.3362 84 D 4.4414 8.2327 120.3546 57.6717 40.9263 178.4585 85 N 4.3331 8.7732 117.4114 56.0951 38.6752 176.5491 86 W 4.0473 8.1914 129.4926 60.5477 31.2317 177.3776 87 I 3.7252 8.7655 113.0104 64.3154 36.5285 177.8928 88 A 3.9603 7.7795 121.3763 54.7762 18.3361 179.3170 89 R 3.8875 7.5348 114.0506 56.7788 30.5725 176.9620 90 A 3.8717 6.4741 121.7621 51.1276 19.3613 177.0101 91 T 4.0461 7.9830 111.4535 60.5548 69.4265 174.4075 92 E 4.1583 8.6922 128.6343 55.6143 29.0267 175.2945 93 I 4.3752 8.1755 119.3931 60.3324 38.1144 176.0179 94 G 3.9037 8.2000 115.3983 46.6831 0.0000 173.7816 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 G 8.21 3.97 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 0.00 0.00 0.00 4 W 8.27 4.20 0.00 3.56 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 5 S 9.08 4.53 0.00 3.95 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 6 N 7.99 4.75 0.00 2.82 2.81 0.00 0.00 6.98 8.14 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 7 F 8.06 4.46 0.00 3.28 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 8 K 8.93 4.13 0.00 1.72 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.82 7.81 9 F 8.39 5.42 0.00 3.48 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 10 L 9.23 5.19 0.00 1.76 1.65 0.62 0.46 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 11 F 9.08 5.19 0.00 3.29 3.20 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 12 L 8.63 5.46 0.00 1.55 1.61 0.91 0.87 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 13 S 8.91 3.61 0.00 3.31 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 14 P 0.00 4.35 0.00 1.92 2.18 0.00 2.83 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 15 G 7.84 3.75 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 0.00 0.00 0.00 16 G 8.58 3.93 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 0.00 0.00 0.00 17 E 7.87 4.46 0.00 2.05 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 2.34 2.29 0.00 18 L 8.44 4.85 0.00 1.74 1.86 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.54 5.12 0.00 1.87 2.22 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 20 G 10.13 4.92 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 21 V 9.50 5.20 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 1.45 0.00 0.00 1.44 0.00 0.00 22 L 9.52 4.43 0.00 0.41 1.34 0.52 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.57 4.33 0.00 2.84 2.89 0.00 0.00 7.20 8.06 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 24 D 8.19 4.94 0.00 2.95 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 25 K 8.06 5.00 0.00 1.54 1.32 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.64 7.81 26 I 7.49 4.85 1.18 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.88 -0.71 0.00 0.00 27 Y 9.83 5.23 0.00 2.87 2.72 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 0.00 0.00 0.00 28 K 9.25 5.63 0.00 1.05 0.94 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 0.97 7.81 29 G 9.18 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 0.00 0.00 0.00 0.00 30 T 7.50 3.91 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 1.24 0.00 0.00 31 P 0.00 4.21 0.00 2.05 1.98 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 32 P 0.00 4.64 0.00 2.23 2.27 0.00 3.50 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 33 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 1.25 0.00 0.00 34 H 7.35 4.28 0.00 3.14 2.49 0.00 5.81 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 *37 D 8.71 4.28 0.00 2.56 2.68 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 38 N 8.11 5.03 0.00 2.68 2.60 0.00 0.00 6.72 7.95 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 39 W 8.56 4.27 0.00 3.48 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 40 L 7.99 3.73 0.00 1.64 1.46 0.72 0.19 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 41 G 7.80 3.78 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 0.00 0.00 0.00 42 R 7.42 4.34 0.00 1.72 1.89 0.00 2.85 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 43 A 7.34 4.14 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.16 0.00 1.67 1.67 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 45 K 8.80 4.35 0.00 1.89 1.71 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 0.74 7.81 46 I 7.88 4.27 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 1.04 0.48 0.81 0.00 0.00 47 G 7.01 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 0.00 0.00 0.00 48 D 9.26 4.80 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.13 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 0.00 0.00 0.00 50 G 9.07 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 51 W 7.83 4.26 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.58 0.00 3.04 2.91 0.00 0.00 7.03 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 53 Q 7.75 3.99 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 54 F 7.21 4.79 0.00 3.27 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 55 Q 9.04 4.46 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.61 0.00 0.00 0.00 0.00 0.00 1.53 2.09 0.00 56 F 8.20 5.23 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 57 L 8.17 4.53 0.00 0.83 0.18 0.35 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.06 4.34 0.00 2.97 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 59 F 8.91 5.29 0.00 3.05 3.03 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 60 D 9.25 4.84 0.00 2.71 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 61 P 0.00 4.28 0.00 2.10 2.19 0.00 3.73 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 2.05 2.14 0.00 62 N 8.41 4.65 0.00 2.97 2.97 0.00 0.00 6.95 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 63 G 8.18 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 0.00 0.00 0.00 64 Y 9.20 4.47 0.00 3.42 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 65 L 8.80 4.23 0.00 1.20 1.51 0.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.69 4.86 0.00 1.43 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 0.00 0.00 0.00 67 A 8.96 5.00 0.60 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 68 V 9.04 5.05 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 1.27 0.00 0.00 1.25 0.00 0.00 69 S 9.23 4.79 0.00 4.07 3.75 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 70 K 9.79 3.92 0.00 1.97 1.88 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 71 D 8.58 4.67 0.00 2.86 2.85 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 72 K 8.04 4.64 0.00 2.00 1.40 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.54 7.81 73 L 7.94 5.41 0.00 1.64 1.46 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.16 4.81 0.00 2.90 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 75 K 8.33 4.56 0.00 0.79 1.20 0.00 1.29 0.00 0.00 1.30 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.67 7.81 76 A 8.92 4.73 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 77 P 0.00 4.56 0.00 2.01 2.06 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 78 P 0.00 4.54 0.00 2.51 2.31 0.00 3.86 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 79 P 0.00 4.45 0.00 2.45 2.34 0.00 4.12 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 1.93 2.07 0.00 80 Q 8.48 3.48 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 81 S 7.58 4.12 0.00 3.95 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 82 D 8.34 5.22 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 83 T 8.52 3.98 4.28 0.00 0.00 0.00 0.00 0.00 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 84 D 8.23 4.44 0.00 2.84 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 85 N 8.77 4.33 0.00 2.86 2.87 0.00 0.00 6.87 7.49 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 86 W 8.19 4.05 0.00 3.32 3.44 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 I 8.77 3.73 1.98 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 1.79 0.46 1.24 0.00 0.00 88 A 7.78 3.96 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 89 R 7.53 3.89 0.00 1.60 1.70 0.00 2.62 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 90 A 6.47 3.87 0.44 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 0.00 0.00 91 T 7.98 4.05 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 1.17 0.00 0.00 92 E 8.69 4.16 0.00 1.93 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 2.28 2.30 0.00 93 I 8.18 4.38 1.88 0.00 0.00 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 1.37 0.82 0.91 0.00 0.00 94 G 8.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.