NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2387 8.1749 115.2415 61.2993 68.4087 173.2371 5 K 4.0408 8.5992 128.8906 54.0732 32.4490 174.6636 6 P 4.9699 0.0000 0.0000 62.3541 33.5807 175.0357 7 R 4.7212 9.2651 121.4229 55.4819 31.7480 175.4070 8 I 4.9268 8.9009 125.1482 59.5749 39.8426 174.5316 9 A 5.1378 8.9072 127.5313 50.1403 22.2547 174.9500 10 I 4.6230 8.9966 123.4712 59.6219 39.7568 174.9070 11 R 4.9916 8.8307 128.1607 55.1451 31.6187 175.5590 12 Y 5.4351 8.2036 121.0255 55.2011 42.3106 174.0053 13 C 4.4373 9.4549 122.7299 59.8341 32.3516 174.4048 14 T 4.1254 8.7898 124.2132 67.0067 68.1804 176.5994 15 Q 4.1716 7.7762 117.1120 57.6580 29.0364 176.4017 16 C 3.9022 7.1586 113.2400 59.3068 28.0742 172.7238 17 N 4.2499 7.6702 116.7468 55.3244 37.1908 174.8770 18 W 5.0554 8.1331 113.8696 56.2546 29.8148 176.7301 19 L 3.2375 8.0415 122.7010 57.9236 41.4717 178.5183 20 L 3.9505 7.9488 119.8983 58.2781 41.8989 179.0607 21 R 4.1566 7.9885 113.9521 59.1044 29.5794 178.1643 22 A 4.4391 8.0448 120.9459 55.0233 18.7042 179.4861 23 G 3.7593 8.4786 104.6795 47.5413 0.0000 176.2372 24 W 4.1097 8.3025 127.2717 57.9173 30.4296 177.2825 *26 A 4.2089 7.9185 121.5597 51.8933 20.0387 179.9450 27 Q 3.9814 8.0156 114.8092 59.0252 28.6739 178.7134 28 E 3.8568 8.2027 119.9755 59.3687 29.3655 179.4767 29 I 3.8078 7.5115 119.0893 64.6459 37.2016 178.4596 30 L 4.0697 8.2181 119.9372 57.5835 41.1299 179.4875 31 Q 3.9419 8.1151 119.2641 59.4205 29.1040 178.2178 32 T 3.8589 7.6112 115.3411 65.9715 68.5291 176.8970 33 F 4.8981 8.1762 118.7545 59.7596 40.2862 179.3276 34 A 3.2817 8.0558 114.2433 53.4178 19.2203 179.9464 35 S 4.2014 8.4290 115.2231 60.7466 63.8689 176.0703 36 D 4.5352 7.8285 117.6623 55.7932 40.7753 176.1761 37 I 4.4174 7.0822 119.3640 59.2715 39.0076 175.8817 38 G 3.8722 9.0117 113.9246 48.7982 0.0000 173.3445 39 E 4.9010 7.6396 116.5578 55.1134 32.6855 174.1516 40 V 4.8352 8.4032 120.2598 61.3296 34.1254 174.5507 41 S 4.8591 9.2285 124.3794 56.8495 65.3609 172.9638 42 L 5.0834 8.5434 124.1246 53.4038 43.4473 176.0954 43 I 4.4475 8.9121 125.3972 58.5504 39.4377 173.1492 44 P 3.7512 0.0000 0.0000 62.7266 32.0931 176.0487 45 S 4.7802 8.5423 119.2085 57.2865 68.0333 172.1667 46 T 4.7695 7.8616 109.3970 59.8596 72.7535 173.5538 47 G 3.6933 9.3007 107.0064 46.9274 0.0000 174.7547 48 G 3.9140 8.3842 104.4533 45.2425 0.0000 173.8465 49 L 4.3266 7.7470 123.4143 54.9728 43.3922 175.7053 50 F 5.3566 9.0598 127.7123 56.7093 42.6438 172.6873 51 E 5.3073 9.0498 127.0224 54.7791 33.5410 173.6590 52 I 5.1365 9.1292 127.5662 59.6832 40.3328 174.6324 53 T 5.0945 8.8799 116.6092 59.7639 72.4244 173.0520 54 V 4.4345 8.8495 123.5689 61.4004 34.0308 175.5836 55 D 4.4070 9.9635 131.3033 55.4120 38.8532 175.8205 56 G 3.9767 8.1800 106.4196 45.7350 0.0000 173.6180 57 T 4.1921 7.7028 117.8685 62.3898 69.0505 174.1773 58 I 4.3061 8.3939 128.3682 61.5299 37.2696 175.5876 59 I 4.4649 8.5290 119.2493 60.8636 39.3072 175.7146 60 W 5.2125 7.9073 132.2986 56.1384 34.4857 172.8437 61 E 5.0602 8.9357 127.2222 54.8507 32.5727 175.0556 62 R 4.2678 9.0812 128.2198 59.2544 30.0969 178.7925 63 K 3.8713 8.6297 117.4353 59.6123 32.5451 178.8610 64 R 3.7460 8.6856 118.0648 59.4677 29.7162 176.9474 65 D 4.1464 7.8756 113.8660 53.4215 40.8930 176.7148 66 G 3.7957 7.0283 106.4177 45.0236 0.0000 173.3619 67 G 3.8710 6.6179 109.2328 44.2418 0.0000 174.1220 68 F 4.6942 8.4315 124.1870 54.4664 41.9012 173.2023 69 P 3.6399 0.0000 0.0000 61.8509 32.0735 177.0492 70 G 3.9408 9.1870 108.0040 43.6844 0.0000 173.2956 71 P 4.1075 0.0000 0.0000 65.2692 31.2440 178.7634 72 K 3.9339 8.0171 119.2838 59.4060 32.2325 178.4562 73 E 3.9865 8.1229 117.4680 59.1982 29.5012 178.3794 74 L 3.8715 7.9039 121.2537 58.0047 42.0522 179.1618 75 K 4.2169 8.0966 118.1126 59.7890 32.0410 179.4506 76 Q 4.0593 8.4718 118.5576 58.9670 28.7045 178.9872 77 R 4.0138 8.3639 119.3988 59.2515 30.1225 179.2445 78 I 3.5694 7.7708 119.5612 64.2590 37.0285 178.2639 79 R 3.9342 8.3172 119.8582 59.8020 29.6733 178.2006 80 D 4.3727 8.3868 117.5966 57.3569 40.8668 178.3060 81 L 4.0988 7.7215 119.9946 57.3742 42.1125 178.4694 82 I 4.2947 7.4343 112.1604 62.0739 38.6956 175.9362 83 D 4.3738 8.3360 124.2724 52.1549 42.0348 173.5676 84 P 4.2931 0.0000 0.0000 65.0868 31.3042 177.3313 85 E 4.2151 7.9440 116.9822 56.8934 29.8524 176.3930 86 R 4.0691 7.9810 121.1942 55.7320 30.4252 175.4086 87 D 4.6067 8.5744 125.1407 54.0931 41.9870 175.5531 88 L 4.5789 8.4197 123.4808 53.4403 44.1938 178.8209 89 G 3.7843 10.8137 112.3860 45.7930 0.0000 173.8129 90 H 4.3906 9.5318 117.4563 55.9372 29.5240 175.0768 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 4 T 8.17 4.24 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 1.20 0.00 0.00 5 K 8.60 4.04 0.00 1.75 1.83 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 6 P 0.00 4.97 0.00 2.03 2.17 0.00 4.03 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 1.97 1.72 0.00 7 R 9.27 4.72 0.00 1.74 1.87 0.00 3.08 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 8 I 8.90 4.93 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.92 0.00 0.00 9 A 8.91 5.14 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 10 I 9.00 4.62 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.63 0.00 0.00 11 R 8.83 4.99 0.00 1.70 1.82 0.00 3.25 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 12 Y 8.20 5.44 0.00 3.65 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 13 C 9.45 4.44 0.00 3.15 2.43 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 14 T 8.79 4.13 4.18 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 1.26 0.00 0.00 15 Q 7.78 4.17 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 16 C 7.16 3.90 0.00 1.67 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 17 N 7.67 4.25 0.00 2.86 2.94 0.00 0.00 7.02 7.57 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 18 W 8.13 5.06 0.00 3.93 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 19 L 8.04 3.24 0.00 1.86 1.72 0.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.95 3.95 0.00 1.82 1.65 0.93 0.88 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 R 7.99 4.16 0.00 2.05 1.97 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.58 0.00 22 A 8.04 4.44 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 23 G 8.48 3.76 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 0.00 0.00 0.00 24 W 8.30 4.11 0.00 3.35 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 *26 A 7.92 4.21 1.36 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 0.00 0.00 27 Q 8.02 3.98 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 28 E 8.20 3.86 0.00 1.50 1.75 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 1.90 1.47 0.00 29 I 7.51 3.81 2.00 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 1.66 0.63 0.96 0.00 0.00 30 L 8.22 4.07 0.00 1.68 1.73 0.96 1.01 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 31 Q 8.12 3.94 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 32 T 7.61 3.86 3.76 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 0.24 0.00 0.00 33 F 8.18 4.90 0.00 3.07 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 34 A 8.06 3.28 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 35 S 8.43 4.20 0.00 3.90 3.96 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 36 D 7.83 4.54 0.00 2.79 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 37 I 7.08 4.42 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.92 0.00 0.00 38 G 9.01 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 39 E 7.64 4.90 0.00 2.00 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 2.20 2.23 0.00 40 V 8.40 4.84 2.07 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 0.82 0.00 0.00 0.92 0.00 0.00 41 S 9.23 4.86 0.00 3.76 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 42 L 8.54 5.08 0.00 1.61 1.76 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.91 4.45 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.88 0.00 0.00 44 P 0.00 3.75 0.00 1.81 1.86 0.00 3.62 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 2.02 2.19 0.00 45 S 8.54 4.78 0.00 3.71 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 46 T 7.86 4.77 4.20 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 1.16 0.00 0.00 47 G 9.30 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 0.00 0.00 0.00 48 G 8.38 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 49 L 7.75 4.33 0.00 1.92 1.66 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.06 5.36 0.00 3.32 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 51 E 9.05 5.31 0.00 2.07 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 0.00 2.21 2.31 0.00 52 I 9.13 5.14 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.91 0.00 0.00 53 T 8.88 5.09 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 1.25 0.00 0.00 54 V 8.85 4.43 2.04 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 0.89 0.00 0.00 0.86 0.00 0.00 55 D 9.96 4.41 0.00 2.76 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 56 G 8.18 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 57 T 7.70 4.19 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 1.20 0.00 0.00 58 I 8.39 4.31 1.85 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 1.47 0.46 0.94 0.00 0.00 59 I 8.53 4.46 1.95 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 1.24 0.75 0.92 0.00 0.00 60 W 7.91 5.21 0.00 3.55 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 61 E 8.94 5.06 0.00 1.95 1.59 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 2.24 2.39 0.00 62 R 9.08 4.27 0.00 1.84 1.93 0.00 3.14 0.00 0.00 2.73 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.00 63 K 8.63 3.87 0.00 2.05 1.81 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.55 7.81 64 R 8.69 3.75 0.00 1.70 1.97 0.00 3.14 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 65 D 7.88 4.15 0.00 1.58 1.54 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 66 G 7.03 3.80 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 0.00 0.00 0.00 67 G 6.62 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 68 F 8.43 4.69 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.64 0.00 1.52 0.49 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 70 G 9.19 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.11 0.00 2.29 2.32 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 72 K 8.02 3.93 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.63 7.81 73 E 8.12 3.99 0.00 2.35 2.27 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 2.44 2.26 0.00 74 L 7.90 3.87 0.00 1.67 1.74 0.85 0.06 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 75 K 8.10 4.22 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.58 7.81 76 Q 8.47 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 77 R 8.36 4.01 0.00 2.05 2.05 0.00 3.44 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 78 I 7.77 3.57 1.81 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 1.25 0.86 0.09 0.00 0.00 79 R 8.32 3.93 0.00 2.22 2.20 0.00 3.37 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 80 D 8.39 4.37 0.00 2.82 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 81 L 7.72 4.10 0.00 1.77 1.76 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.43 4.29 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.71 0.82 0.00 0.00 83 D 8.34 4.37 0.00 2.72 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 84 P 0.00 4.29 0.00 2.22 2.19 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 85 E 7.94 4.22 0.00 2.06 2.04 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 2.32 2.24 0.00 86 R 7.98 4.07 0.00 1.79 2.07 0.00 3.39 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 87 D 8.57 4.61 0.00 2.69 2.54 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 88 L 8.42 4.58 0.00 1.53 1.50 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 89 G 10.81 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 90 H 9.53 4.39 0.00 3.40 3.61 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.