NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9411 8.3549 109.7368 45.2860 0.0000 173.2743 -1 S 4.0314 8.2991 114.8241 57.7406 63.4536 172.3729 -1 D 4.2014 8.3291 119.5241 53.6406 40.7536 174.0729 2 W 4.2483 8.3258 117.5200 56.3698 30.5428 175.0376 3 V 4.3323 8.3418 121.4198 61.1522 32.4742 175.4285 4 I 4.0327 8.2383 128.1048 60.0760 37.6938 174.2330 5 P 4.3789 0.0000 0.0000 61.9015 31.8314 174.4701 6 P 4.5271 0.0000 0.0000 63.1512 32.3624 175.5676 7 I 4.3597 8.7103 124.2693 59.9821 39.1155 174.2924 8 N 5.3484 8.7786 124.5920 51.4951 40.4115 173.8689 9 L 4.7947 8.9354 126.6863 52.2701 44.7964 173.9332 10 P 4.8329 0.0000 0.0000 62.6830 32.0021 175.8711 11 E 4.1010 9.2064 125.4272 56.6826 30.2566 176.4022 12 N 4.1406 8.7688 122.5338 54.4442 36.7030 174.4688 13 S 4.4013 7.6631 111.1656 58.3291 63.6656 173.9206 14 R 4.2583 8.5143 123.0981 56.5540 31.3146 178.8930 15 G 2.7028 7.4940 106.2661 44.6930 0.0000 173.0280 16 P 4.1423 0.0000 0.0000 62.4465 31.8479 174.8427 17 F 5.1882 8.0319 117.5821 54.8458 41.4583 174.1797 18 P 4.8398 0.0000 0.0000 63.1027 32.5704 175.0766 19 Q 4.5722 9.1680 123.2716 54.1184 31.1608 174.6269 20 E 4.0409 8.9147 126.4144 57.0406 29.7848 175.3098 21 L 4.7481 8.9522 123.0498 55.3186 43.5058 176.7923 22 V 4.4180 7.3377 115.6011 60.8336 34.9237 171.3781 23 R 4.8192 8.4496 122.0076 54.7396 31.7247 175.0316 24 I 4.4780 8.7405 128.0964 59.5426 39.3088 175.1133 25 R 4.1288 8.0851 122.1985 53.9678 32.0363 173.8447 26 S 4.0792 8.4017 114.0823 60.3392 62.1950 175.4998 *33 S 4.3821 7.2934 113.4732 56.2490 64.0371 173.0668 34 L 4.9984 7.8306 120.1615 53.0617 45.0998 176.0056 35 R 4.6374 8.3839 119.2614 54.7069 34.0017 174.1545 36 Y 5.9289 8.9383 120.9531 56.0483 40.8408 174.8650 37 S 4.9538 8.5502 115.3587 57.1538 66.9731 172.8677 38 V 5.1855 8.3918 119.6236 60.2658 34.1720 174.5956 39 T 4.8351 9.1305 112.6083 60.2298 72.8354 172.2828 40 G 4.3080 9.3904 108.4116 43.0932 0.0000 171.7903 41 P 4.6394 0.0000 0.0000 63.7515 31.6883 176.5926 42 G 4.7343 9.4123 111.9472 44.6746 0.0000 174.3180 43 A 4.7071 8.8397 120.9026 51.1075 19.9110 176.8117 44 D 4.7535 8.7795 120.2364 52.0843 41.4723 177.0932 45 Q 4.8285 7.6013 118.9733 53.1280 32.4546 173.0028 46 P 4.5250 0.0000 0.0000 62.8584 32.3323 174.1056 47 P 4.6398 0.0000 0.0000 62.4893 32.3732 175.8751 48 T 4.2873 8.6050 115.5333 62.1695 69.7438 174.7938 49 G 3.8962 8.9617 111.4939 46.3702 0.0000 174.8108 50 I 3.7109 7.4410 122.1661 62.4923 38.4161 175.8872 51 F 5.4373 8.4287 121.0509 55.4925 41.6699 175.0350 52 I 4.9342 8.8640 115.6751 59.1476 41.3709 173.8664 53 I 5.0234 8.1745 122.6718 58.9871 41.0867 174.2315 54 N 4.6178 9.1499 129.0022 52.9001 39.2426 174.1334 55 P 4.7710 0.0000 0.0000 64.9222 31.9141 178.3553 56 I 4.0281 7.8827 119.1636 63.5804 37.6704 177.1502 57 S 4.2461 8.0987 112.5772 58.9784 63.6916 175.2602 58 G 3.7576 8.4410 108.5082 46.0728 0.0000 172.6179 59 Q 4.4043 7.8993 119.8450 55.9703 29.6845 174.9949 60 L 5.0349 9.2676 127.5101 53.8424 44.0976 175.4804 61 S 5.4153 9.2789 121.3763 56.8020 68.0229 172.9076 62 V 4.8764 8.8508 121.0954 60.4224 33.6936 176.4861 63 T 4.5907 8.5414 113.3053 62.4974 70.1698 174.2272 64 K 2.8753 6.9564 119.2160 54.3392 35.0426 173.1763 65 P 4.4783 0.0000 0.0000 62.6648 32.1592 175.9899 66 L 4.7898 8.4832 122.0420 53.0067 44.9712 174.8009 67 D 5.2761 8.5995 122.4510 52.6388 42.6316 176.7528 68 R 4.1237 9.3537 123.9468 58.7662 30.5253 178.0025 69 E 4.0725 8.1073 117.1861 59.6124 29.7084 178.4855 70 L 4.1141 7.9534 118.0683 57.3450 42.4737 177.1465 71 I 4.2932 7.4120 117.7296 59.9284 40.5405 174.3636 72 A 4.6172 8.4625 126.3939 52.2180 20.8956 176.0822 73 R 5.0278 7.4956 115.1023 54.7675 33.0904 174.1076 74 F 4.9728 9.6444 125.1287 56.0020 42.3353 174.3964 75 H 5.1920 8.9772 118.7098 54.3506 30.9137 172.9055 76 L 5.0887 8.9920 123.1223 52.8057 46.0939 175.7413 77 R 5.0625 8.6537 117.8421 54.5712 33.8511 174.8118 78 A 5.0883 9.0778 126.0473 51.1902 21.1082 175.6947 79 H 5.3728 9.4597 117.6955 53.8703 33.2469 172.6562 80 A 5.0638 8.5710 121.9225 50.3816 21.9696 175.4729 81 V 4.9307 8.4627 115.2970 59.2979 36.4530 175.1973 82 D 5.2834 8.8192 123.2023 52.2849 41.1400 177.2383 83 I 3.8273 7.9328 110.2253 62.7421 37.3336 176.3919 84 N 4.5577 8.2924 117.4792 53.3173 38.9786 175.7670 85 G 3.9510 8.4721 107.6900 44.9795 0.0000 173.5471 86 N 4.5309 8.3175 118.4612 52.3217 39.2648 174.5206 87 Q 4.4143 8.6158 124.2180 56.5327 29.5877 176.1770 88 V 4.2380 8.0807 117.8452 61.5383 32.7887 175.5044 89 E 4.7504 7.6267 115.1533 54.8612 31.6922 174.8232 90 N 4.4122 8.6763 117.7552 53.1350 39.1645 173.4601 91 P 4.6035 0.0000 0.0000 62.6828 32.6209 175.3921 92 I 4.5741 8.2598 121.7930 59.0513 40.8247 174.5715 93 D 5.0433 8.8314 129.0072 54.6185 41.7058 175.7252 94 I 4.6454 8.9156 122.6901 59.4631 41.3774 174.4259 95 V 4.7528 8.3559 125.4101 61.0539 34.7490 173.9400 96 I 4.9224 8.6638 128.0581 59.6560 40.3560 173.9751 97 N 5.2767 9.3770 125.3143 51.6994 40.8095 174.3706 98 V 4.7093 8.8938 124.7390 61.9849 32.3344 174.9674 99 I 4.4830 8.9527 130.0587 59.6701 39.4543 175.9898 100 D 4.5121 8.5487 124.1507 54.4071 41.3417 175.4729 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 G 8.35 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 -1 S 8.30 4.03 0.00 4.07 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 -1 D 8.33 4.20 0.00 2.90 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 2 W 8.33 4.25 0.00 3.33 3.08 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 0.00 0.00 0.00 0.00 3 V 8.34 4.33 2.16 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 0.86 0.00 0.00 0.96 0.00 0.00 4 I 8.24 4.03 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.89 0.00 0.00 5 P 0.00 4.38 0.00 2.03 1.99 0.00 3.68 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 2.01 2.12 0.00 6 P 0.00 4.53 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 7 I 8.71 4.36 1.81 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 1.19 0.55 0.90 0.00 0.00 8 N 8.78 5.35 0.00 2.60 2.76 0.00 0.00 6.84 7.85 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 9 L 8.94 4.79 0.00 1.77 1.72 1.02 0.97 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 10 P 0.00 4.83 0.00 2.01 2.00 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 11 E 9.21 4.10 0.00 2.07 1.88 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 2.37 2.47 0.00 12 N 8.77 4.14 0.00 2.81 2.82 0.00 0.00 6.93 7.46 0.00 0.00 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 S 7.66 4.40 0.00 3.90 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 14 R 8.51 4.26 0.00 1.82 1.94 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 15 G 7.49 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 0.00 0.00 0.00 16 P 0.00 4.14 0.00 1.93 1.93 0.00 3.47 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 17 F 8.03 5.19 0.00 2.92 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 18 P 0.00 4.84 0.00 2.12 2.11 0.00 3.76 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 2.01 1.99 0.00 19 Q 9.17 4.57 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 20 E 8.91 4.04 0.00 1.88 1.87 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 2.31 2.33 0.00 21 L 8.95 4.75 0.00 1.66 1.66 1.10 0.84 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 22 V 7.34 4.42 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 0.63 0.00 0.00 0.89 0.00 0.00 23 R 8.45 4.82 0.00 1.77 1.79 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 24 I 8.74 4.48 1.73 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 1.20 1.59 0.84 0.00 0.00 25 R 8.09 4.13 0.00 1.71 1.48 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 26 S 8.40 4.08 0.00 4.15 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 *33 S 7.29 4.38 0.00 3.97 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 34 L 7.83 5.00 0.00 1.22 1.08 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.38 4.64 0.00 1.55 1.69 0.00 3.23 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 36 Y 8.94 5.93 0.00 2.94 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 37 S 8.55 4.95 0.00 3.88 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 38 V 8.39 5.19 2.13 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 0.85 0.00 0.00 0.96 0.00 0.00 39 T 9.13 4.84 4.29 0.00 0.00 0.00 0.00 0.00 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 40 G 9.39 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 0.00 0.00 0.00 0.00 41 P 0.00 4.64 0.00 2.20 2.24 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 42 G 9.41 4.73 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 43 A 8.84 4.71 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 44 D 8.78 4.75 0.00 2.81 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 45 Q 7.60 4.83 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 P 0.00 4.53 0.00 1.96 2.05 0.00 3.70 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 2.14 0.00 47 P 0.00 4.64 0.00 2.15 2.25 0.00 3.89 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 2.29 2.16 0.00 48 T 8.61 4.29 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 1.24 0.00 0.00 49 G 8.96 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 50 I 7.44 3.71 1.54 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 1.11 0.81 -0.30 0.00 0.00 51 F 8.43 5.44 0.00 2.88 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 52 I 8.86 4.93 1.90 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 1.28 1.02 0.91 0.00 0.00 53 I 8.17 5.02 1.91 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 1.26 0.99 0.98 0.00 0.00 54 N 9.15 4.62 0.00 2.86 2.79 0.00 0.00 6.69 8.56 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 55 P 0.00 4.77 0.00 2.29 2.34 0.00 3.94 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 2.11 1.98 0.00 56 I 7.88 4.03 1.93 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 1.51 0.88 0.96 0.00 0.00 57 S 8.10 4.25 0.00 3.97 4.01 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 0.00 0.00 0.00 0.00 58 G 8.44 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 59 Q 7.90 4.40 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 60 L 9.27 5.03 0.00 1.70 1.68 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.28 5.42 0.00 3.79 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 62 V 8.85 4.88 2.18 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 1.13 0.00 0.00 0.64 0.00 0.00 63 T 8.54 4.59 4.15 0.00 0.00 0.00 0.00 0.00 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 64 K 6.96 2.88 0.00 1.39 1.37 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 1.15 7.81 65 P 0.00 4.48 0.00 1.92 2.25 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.27 0.00 66 L 8.48 4.79 0.00 1.63 1.61 0.73 0.76 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 67 D 8.60 5.28 0.00 2.66 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 68 R 9.35 4.12 0.00 1.84 2.00 0.00 3.28 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 69 E 8.11 4.07 0.00 2.52 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 2.36 2.15 0.00 70 L 7.95 4.11 0.00 1.59 1.68 0.92 0.94 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 71 I 7.41 4.29 1.47 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 1.18 0.58 0.05 0.00 0.00 72 A 8.46 4.62 1.26 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 0.00 0.00 0.00 73 R 7.50 5.03 0.00 1.74 1.70 0.00 3.20 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.77 0.00 74 F 9.64 4.97 0.00 2.76 2.88 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 75 H 8.98 5.19 0.00 2.99 3.24 0.00 5.83 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 76 L 8.99 5.09 0.00 1.49 1.66 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.65 5.06 0.00 1.76 1.67 0.00 3.11 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 78 A 9.08 5.09 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 79 H 9.46 5.37 0.00 3.13 3.20 0.00 5.76 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 80 A 8.57 5.06 1.28 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 0.00 0.00 0.00 81 V 8.46 4.93 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 0.76 0.00 0.00 0.92 0.00 0.00 82 D 8.82 5.28 0.00 2.75 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 83 I 7.93 3.83 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 1.28 0.45 0.94 0.00 0.00 84 N 8.29 4.56 0.00 2.88 2.88 0.00 0.00 7.19 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 85 G 8.47 3.95 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 0.00 0.00 0.00 86 N 8.32 4.53 0.00 3.13 2.74 0.00 0.00 6.58 7.02 0.00 0.00 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 Q 8.62 4.41 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 88 V 8.08 4.24 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 0.81 0.00 0.00 0.96 0.00 0.00 89 E 7.63 4.75 0.00 2.06 1.90 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 2.20 2.35 0.00 90 N 8.68 4.41 0.00 2.75 2.82 0.00 0.00 6.98 8.02 0.00 0.00 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 P 0.00 4.60 0.00 1.87 1.73 0.00 3.62 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 2.04 2.11 0.00 92 I 8.26 4.57 1.89 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 1.24 1.60 0.92 0.00 0.00 93 D 8.83 5.04 0.00 2.62 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 94 I 8.92 4.65 1.81 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 1.07 0.99 0.80 0.00 0.00 95 V 8.36 4.75 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 1.02 0.00 0.00 0.92 0.00 0.00 96 I 8.66 4.92 1.66 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.26 0.92 0.00 0.00 97 N 9.38 5.28 0.00 2.73 2.75 0.00 0.00 6.13 7.72 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 98 V 8.89 4.71 2.20 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 0.85 0.00 0.00 1.25 0.00 0.00 99 I 8.95 4.48 1.90 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 1.15 0.81 0.93 0.00 0.00 100 D 8.55 4.51 0.00 2.77 2.50 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 * Residues marked with a * may have inaccurate shift predictions.