NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2851 8.3331 121.7153 55.2573 32.6852 175.2769 0 G 3.9622 9.5046 105.4007 43.0279 0.0000 173.2479 2 I 4.3013 5.4200 117.2343 60.5352 44.3774 172.3114 3 R 4.5735 9.0926 129.0586 55.2055 31.2314 174.2181 4 H 5.5060 8.7982 127.5354 54.4134 31.4614 173.8048 5 T 5.0490 8.7212 115.2334 59.8958 72.6822 173.1762 6 V 5.0914 8.9924 122.4450 60.1649 34.9870 174.3111 7 V 4.9995 8.8037 124.8578 60.0970 33.8395 174.7495 8 F 5.7172 9.0261 117.8724 56.5659 42.0672 172.7812 9 T 4.8921 9.1151 115.2555 61.8749 72.0291 173.9059 10 L 4.6881 8.5549 124.9716 53.4042 43.1774 177.0550 11 K 4.1140 8.4919 120.2699 59.1118 32.3711 178.0168 12 H 4.4669 7.8450 116.2825 54.9233 29.5182 174.9883 13 A 4.1825 8.3745 124.6721 51.9147 18.9476 177.6050 14 S 4.3885 8.3754 116.8437 59.8494 63.3153 174.3716 15 H 4.1855 8.8679 119.5294 56.7585 26.9217 175.7711 16 S 4.5575 7.5953 116.1861 57.7626 65.2197 175.0280 17 L 4.1098 8.3137 121.4170 57.6717 41.3568 179.4850 18 E 3.9216 8.1172 118.3429 59.1780 29.2062 178.7610 19 E 3.9648 8.0660 118.8306 59.1744 29.7226 178.4591 20 K 3.9265 8.0252 119.6845 59.8429 32.1406 178.5210 21 R 3.9269 8.4583 119.0959 59.2788 29.8801 178.1772 22 F 4.1523 8.3730 120.4817 61.3396 39.4850 177.1436 23 L 4.2787 8.1731 118.4904 57.8784 41.5776 179.6775 24 V 3.5998 8.1672 118.4649 66.2457 31.5045 177.8759 25 D 4.2973 8.4057 118.6013 57.0792 40.5542 178.4995 26 A 3.2989 8.0691 121.5945 54.7553 18.3589 179.4406 27 K 3.2398 7.7824 117.9436 59.3861 32.0412 178.7517 28 K 3.7331 7.4012 117.9325 59.4992 32.4408 178.5897 29 I 3.7093 7.5012 119.8184 64.4767 36.9711 178.5571 30 L 3.9062 7.5285 120.3184 57.4933 41.2083 179.5882 31 S 3.8619 7.0294 112.6100 60.4257 63.0303 175.6202 32 A 4.1448 7.0702 122.3295 52.4079 19.1002 177.4928 33 I 3.7589 7.0181 120.0219 60.3672 37.8346 175.7276 34 R 4.0827 8.4056 125.6429 58.0092 30.3705 176.1859 35 G 4.1236 8.9524 113.1066 45.3817 0.0000 173.7587 36 V 3.3596 7.3633 119.8910 62.5465 31.8255 175.2620 37 T 4.4606 7.4287 116.8029 60.9911 71.5397 173.0467 38 H 3.9934 8.5607 117.7203 56.6812 26.3722 175.4175 39 F 4.2108 8.1430 120.2771 58.3564 40.1049 173.5768 40 E 4.6738 8.5660 127.2975 54.5771 33.3450 174.5792 41 Q 5.2818 8.6707 122.1611 54.4771 30.8113 174.9584 42 L 4.9955 9.2235 122.4979 53.0238 46.4842 175.1297 43 R 4.9098 8.5962 121.3796 54.8991 31.7253 175.0616 44 Q 4.4971 8.6931 128.9368 55.2687 29.4502 175.3106 45 I 4.3082 8.3910 118.3471 60.4270 39.1088 175.5724 46 S 4.2530 8.1247 117.7343 57.5840 62.5219 172.3015 47 P 4.3825 0.0000 0.0000 65.5016 31.7468 178.3887 48 K 4.0851 7.6540 119.7063 56.7148 31.7823 182.2374 49 I 4.4093 7.5051 118.1379 59.3006 40.0374 175.4728 50 D 4.5887 8.0645 128.0023 53.2510 39.7154 175.3022 51 Y 5.0925 7.0912 116.0685 55.5426 42.0775 175.7502 52 H 4.4402 8.4851 119.6469 57.0048 30.8173 174.7207 53 F 5.2744 8.1038 115.5152 55.8119 43.8152 173.9768 54 G 4.5507 9.2160 106.0899 44.9081 0.0000 171.6078 55 F 5.7838 9.5285 120.2656 55.6345 42.4291 174.5188 56 S 5.2947 8.3700 116.1158 55.2853 66.6211 172.3568 *58 E 4.3958 8.4956 121.3119 56.1820 31.1248 174.8608 59 F 5.0459 8.7013 120.9611 55.3911 42.1364 176.4463 60 A 4.0146 8.9958 125.4392 55.3562 18.6918 177.3079 61 D 5.0414 7.5712 114.8070 52.5226 43.1226 175.9838 62 Q 4.0840 8.6599 119.1905 59.1547 28.8583 177.6749 63 A 3.9533 8.1174 121.1899 55.3284 18.4579 179.2964 64 A 3.9908 8.4176 119.0801 55.3119 18.3719 179.2858 65 Y 2.6573 7.5980 117.4637 60.8469 38.9040 178.3160 66 T 3.5925 8.0324 116.9874 66.7116 68.2908 176.8857 67 R 3.9431 7.8835 118.9619 59.1102 30.3985 178.2747 68 Y 4.2444 8.0665 119.4398 60.7636 38.6622 177.3923 69 N 3.8137 7.9220 116.5367 56.5736 39.1119 175.6884 70 D 4.5420 7.7437 116.7475 53.8884 41.7858 176.3347 71 H 4.1838 7.4855 121.2006 55.2491 30.6897 174.0633 72 P 4.1943 0.0000 0.0000 66.0927 31.1103 178.6013 73 D 4.3683 8.2612 117.0539 57.5085 40.7303 178.2156 74 H 4.0981 8.0800 118.3070 59.0949 29.9896 177.0845 75 V 3.4591 7.9433 120.0969 66.0772 31.2293 177.8987 76 A 3.9609 8.2116 120.3956 55.0855 18.2184 179.2442 77 F 4.0608 8.2891 119.2294 61.4891 39.3540 177.5568 78 V 3.4650 7.9359 117.8162 65.8645 31.1054 178.0218 79 R 3.8286 7.7329 117.1630 59.4920 30.1056 177.6566 80 D 4.6163 8.2656 116.7839 55.1013 41.6124 177.1438 81 R 4.5375 7.7168 116.4844 57.5337 32.3780 177.6600 82 W 3.8765 7.4678 126.9761 60.3607 31.1935 177.7528 83 V 3.7006 8.2233 117.5926 65.6524 31.0001 175.8699 84 P 4.3849 0.0000 0.0000 64.5871 31.4954 176.9260 85 E 4.2280 7.9263 115.9222 56.1179 31.0211 175.6979 86 V 3.6852 7.1971 119.5159 61.6166 32.1714 175.1738 87 E 4.2281 8.9155 129.7982 58.8111 29.9646 176.5883 88 K 4.9405 7.8786 116.4765 56.3517 35.8365 173.8910 89 F 5.4774 8.3425 114.9371 56.4512 40.8642 172.9753 90 L 4.7409 8.8957 118.6090 53.0574 45.6657 175.4511 91 E 5.0721 8.9583 122.5275 55.0382 31.5985 175.5278 92 I 4.3804 8.8126 124.7347 59.7368 40.7013 173.9643 93 D 5.3194 8.4499 126.7627 52.6254 43.9803 175.1316 94 Y 5.2046 9.1174 119.2732 56.4414 42.2340 174.8833 95 V 4.8549 8.3840 113.8567 58.6332 35.7082 173.9469 96 P 4.2925 0.0000 0.0000 62.3421 31.8078 176.4341 97 L 3.9241 8.3134 124.3589 55.0601 42.7324 177.0439 *98 G 3.7389 8.5656 113.2349 45.9135 0.0000 172.4027 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 -1 Q 8.33 4.29 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.75 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 0 G 9.50 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 0.00 0.00 0.00 2 I 5.42 4.30 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 0.80 0.00 0.00 3 R 9.09 4.57 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 4 H 8.80 5.51 0.00 2.83 3.11 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.72 5.05 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 1.27 0.00 0.00 6 V 8.99 5.09 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 1.17 0.00 0.00 1.30 0.00 0.00 7 V 8.80 5.00 2.02 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 0.17 0.00 0.00 0.96 0.00 0.00 8 F 9.03 5.72 0.00 3.05 3.31 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 9 T 9.12 4.89 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 0.99 0.00 0.00 10 L 8.55 4.69 0.00 1.52 1.32 0.87 -0.20 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 11 K 8.49 4.11 0.00 1.42 1.78 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.39 7.81 12 H 7.84 4.47 0.00 3.17 3.22 0.00 5.71 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 13 A 8.37 4.18 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 14 S 8.38 4.39 0.00 3.78 3.49 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 0.00 0.00 0.00 0.00 15 H 8.87 4.19 0.00 3.40 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.60 4.56 0.00 4.19 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 17 L 8.31 4.11 0.00 1.69 1.77 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.12 3.92 0.00 1.86 1.41 0.00 0.00 0.00 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 2.36 0.00 19 E 8.07 3.96 0.00 2.17 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 2.34 2.44 0.00 20 K 8.03 3.93 0.00 2.04 2.05 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 21 R 8.46 3.93 0.00 2.08 2.15 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 22 F 8.37 4.15 0.00 3.41 3.31 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 23 L 8.17 4.28 0.00 2.01 1.84 0.61 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.17 3.60 2.15 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 1.04 0.00 0.00 1.03 0.00 0.00 25 D 8.41 4.30 0.00 2.78 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 26 A 8.07 3.30 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 27 K 7.78 3.24 0.00 2.10 1.90 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.51 7.81 28 K 7.40 3.73 0.00 1.74 1.86 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 29 I 7.50 3.71 1.58 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 1.46 0.69 0.80 0.00 0.00 30 L 7.53 3.91 0.00 0.75 1.46 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.03 3.86 0.00 3.83 3.37 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 32 A 7.07 4.14 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 33 I 7.02 3.76 2.13 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 0.96 1.20 0.94 0.00 0.00 34 R 8.41 4.08 0.00 1.79 1.89 0.00 3.25 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 35 G 8.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.36 2.14 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 0.67 0.00 0.00 0.98 0.00 0.00 37 T 7.43 4.46 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 1.14 0.00 0.00 38 H 8.56 3.99 0.00 3.21 3.31 0.00 5.70 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.14 4.21 0.00 2.85 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 40 E 8.57 4.67 0.00 1.73 1.70 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 2.17 2.38 0.00 41 Q 8.67 5.28 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 42 L 9.22 5.00 0.00 1.69 1.55 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.60 4.91 0.00 1.92 1.84 0.00 3.24 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 44 Q 8.69 4.50 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 45 I 8.39 4.31 1.85 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 1.30 0.83 0.95 0.00 0.00 46 S 8.12 4.25 0.00 3.89 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 47 P 0.00 4.38 0.00 2.20 2.14 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 48 K 7.65 4.09 0.00 1.88 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.25 7.81 49 I 7.51 4.41 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 1.05 0.00 0.00 50 D 8.06 4.59 0.00 2.48 2.26 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 51 Y 7.09 5.09 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.49 4.44 0.00 2.37 2.16 0.00 5.58 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.10 5.27 0.00 1.51 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 0.00 0.00 0.00 54 G 9.22 4.55 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 0.00 0.00 0.00 55 F 9.53 5.78 0.00 3.08 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 56 S 8.37 5.29 0.00 3.85 3.56 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 *58 E 8.50 4.40 0.00 1.89 1.80 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 2.22 2.26 0.00 59 F 8.70 5.05 0.00 2.88 2.90 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 60 A 9.00 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 61 D 7.57 5.04 0.00 2.95 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 62 Q 8.66 4.08 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 63 A 8.12 3.95 1.39 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 0.00 0.00 64 A 8.42 3.99 1.55 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 0.00 0.00 65 Y 7.60 2.66 0.00 2.56 2.91 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 66 T 8.03 3.59 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 1.11 0.00 0.00 67 R 7.88 3.94 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 68 Y 8.07 4.24 0.00 3.18 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 69 N 7.92 3.81 0.00 2.48 2.81 0.00 0.00 7.33 7.99 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 70 D 7.74 4.54 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.49 4.18 0.00 3.35 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.19 0.00 2.13 2.05 0.00 3.08 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 73 D 8.26 4.37 0.00 2.77 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 74 H 8.08 4.10 0.00 2.73 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.94 3.46 2.17 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 0.92 0.00 0.00 0.95 0.00 0.00 76 A 8.21 3.96 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 77 F 8.29 4.06 0.00 3.22 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 78 V 7.94 3.46 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 0.93 0.00 0.00 0.69 0.00 0.00 79 R 7.73 3.83 0.00 1.92 2.06 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 80 D 8.27 4.62 0.00 2.73 2.69 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 81 R 7.72 4.54 0.00 0.96 1.76 0.00 3.30 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 82 W 7.47 3.88 0.00 3.14 3.04 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 0.00 0.00 0.00 83 V 8.22 3.70 2.12 0.00 0.00 0.00 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 1.11 0.00 0.00 84 P 0.00 4.38 0.00 2.06 2.08 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 85 E 7.93 4.23 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 86 V 7.20 3.69 1.22 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 0.41 0.00 0.00 -1.07 0.00 0.00 87 E 8.92 4.23 0.00 1.91 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 0.00 2.26 2.27 0.00 88 K 7.88 4.94 0.00 2.00 1.89 0.00 1.28 0.00 0.00 1.76 0.00 0.00 2.69 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.56 7.81 89 F 8.34 5.48 0.00 3.53 3.29 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 0.00 90 L 8.90 4.74 0.00 1.31 1.44 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.96 5.07 0.00 1.99 2.03 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 2.47 2.78 0.00 92 I 8.81 4.38 1.71 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 1.15 1.22 0.39 0.00 0.00 93 D 8.45 5.32 0.00 2.59 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 94 Y 9.12 5.20 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.38 4.85 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 0.79 0.00 0.00 0.99 0.00 0.00 96 P 0.00 4.29 0.00 2.04 1.98 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 L 8.31 3.92 0.00 1.58 1.56 0.94 1.02 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 *98 G 8.57 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.