NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 3.9646 8.3144 121.7902 57.1223 33.9197 177.6378 7 R 3.2521 7.1473 113.5035 57.1355 26.9151 173.2767 8 K 4.1876 8.2595 124.1721 55.3562 34.1964 175.4875 9 K 4.6576 8.0478 123.8479 54.6338 34.8737 174.9417 10 Y 4.5968 8.3327 121.6280 56.3023 41.3851 174.8743 11 T 4.4861 8.4086 119.6191 61.5142 71.1752 173.4971 12 L 4.7111 7.7872 124.6013 54.0256 43.7628 175.0180 13 Y 4.6372 8.2472 116.2316 56.2300 40.9025 175.4741 14 L 4.6843 8.3344 123.3553 53.6416 44.1706 176.4267 15 H 4.8881 9.5575 118.0260 52.4363 29.2676 172.4320 16 P 4.4176 0.0000 0.0000 65.6760 31.1741 178.2133 17 E 4.0131 8.3146 115.5249 58.3281 29.6679 177.5807 18 K 4.4967 8.5034 119.4118 54.8994 34.9648 176.5607 19 A 4.0024 8.6413 123.9278 55.4260 18.2828 179.6770 20 A 3.8895 8.0232 117.3253 55.6854 18.5126 179.3788 21 D 4.3216 8.1522 116.3232 57.5418 41.0461 178.8620 22 F 4.1002 8.5531 121.2611 61.3535 39.3286 177.0480 23 Q 3.9585 8.7939 119.4709 59.2909 28.7292 178.4395 24 T 3.8523 7.8174 117.1053 66.2513 68.4268 176.6504 25 L 3.8764 7.7001 120.9211 57.9185 41.7537 179.4634 26 E 3.7831 7.6715 117.7251 59.1525 29.1131 179.2153 27 A 3.9601 7.3807 119.8191 55.2108 18.5354 179.3482 28 I 3.8557 7.5773 116.7969 64.7210 37.5610 177.8347 29 E 4.1712 8.4154 119.9602 59.5392 29.1790 179.6039 30 S 4.6510 7.6814 111.4988 57.6138 64.2943 174.1104 31 V 4.2848 7.3875 122.1782 61.0027 33.8688 173.0835 32 P 4.2223 0.0000 0.0000 63.5744 31.7659 177.1450 33 R 3.7752 8.7985 122.2674 59.4161 30.3618 178.4108 34 S 4.0737 8.2028 110.5885 61.6299 62.8768 176.0657 35 E 4.0890 8.3729 120.2231 58.0834 29.1211 179.0995 36 R 3.7030 7.5819 118.2864 58.8637 29.5155 179.1272 37 G 3.3081 7.5787 105.1304 47.6712 0.0000 175.1695 38 E 4.0334 7.9224 121.0677 58.2184 29.7183 178.3340 39 L 4.0430 7.7014 120.8945 58.0127 42.0893 178.7906 40 F 4.4196 8.5874 118.3188 60.5509 38.8526 177.6261 41 R 3.9717 7.8705 117.9092 59.5591 29.9194 178.3601 42 N 4.3566 8.0191 116.0295 56.3592 38.6912 177.3123 43 A 4.0276 8.2932 122.2490 54.9930 18.3404 179.4681 44 F 4.0547 8.5833 119.3738 61.4940 39.5092 177.2227 45 I 3.5614 8.3924 119.9805 64.6314 37.0412 178.7025 46 S 4.1821 8.3298 114.8747 61.0684 62.8396 176.7809 47 G 3.4661 7.7655 109.2687 48.0574 0.0000 175.7430 48 M 3.9791 8.0518 121.3238 57.3994 31.5931 178.7928 49 A 3.9258 7.7401 120.8761 55.0686 18.9364 179.2153 50 L 4.0278 7.8983 117.5145 58.2110 41.2317 179.0987 51 H 4.1793 8.0054 117.9303 59.6243 29.5161 177.3225 52 Q 3.9805 7.8593 118.4611 58.5591 28.5240 178.3100 53 L 4.1767 7.6035 119.6402 56.1107 42.1867 177.1010 54 D 4.3263 7.2054 113.8093 52.7505 45.0066 174.9917 55 P 4.3322 0.0000 0.0000 65.8753 31.5574 178.4404 56 R 4.0571 8.4070 118.2481 58.6331 29.7054 178.5468 57 L 3.9842 7.7472 119.0424 57.6011 41.6323 177.9560 58 P 4.2690 0.0000 0.0000 65.2188 31.2433 178.0673 59 V 3.8827 7.6886 118.0672 63.4276 31.8505 178.1698 60 L 4.0279 8.0136 120.4453 57.6817 41.4933 179.2592 61 L 4.0442 8.1669 119.1083 57.9621 41.3395 179.5964 62 T 3.7341 7.4036 114.4809 66.5822 68.5139 176.0375 63 A 4.1283 7.7451 121.0550 55.4072 18.5154 179.3110 64 I 3.9317 7.9401 115.5789 62.1322 38.1678 175.7248 65 L 3.5459 6.9953 121.0206 55.3743 42.0776 176.0548 66 S 4.6074 8.2256 118.7248 57.3465 65.6659 174.4194 67 E 4.2515 8.7685 118.2073 58.0150 28.9889 177.5447 68 E 4.5299 7.9687 117.8386 55.4718 30.1228 175.8475 69 F 4.3109 7.9007 121.7758 59.0680 39.9955 174.5511 70 S 4.3972 7.5364 119.3343 55.3476 66.1312 174.5124 71 A 3.7162 8.5189 123.3433 55.5730 18.0174 179.4483 72 D 4.2119 7.4889 115.9128 57.7869 41.1594 178.7522 73 Q 3.9842 7.8631 118.4526 58.7192 28.6378 178.7795 74 V 3.5637 7.3034 118.9023 65.9592 31.6662 178.0770 75 V 3.4079 7.8496 118.1089 66.1610 31.1968 178.0534 76 T 3.8808 7.8252 115.2472 66.7905 68.0350 176.4752 77 L 3.9923 8.1053 120.7275 57.9615 41.7327 179.7509 78 L 4.0271 8.1414 119.1357 57.8344 41.5329 179.7190 79 S 4.4730 8.1861 114.1489 61.4784 63.0910 176.2183 80 Q 4.1824 8.4093 120.1672 57.5150 28.5288 176.5548 81 T 4.6072 7.4858 111.6863 61.7262 68.9877 174.2290 82 T 4.4286 8.1874 114.5331 63.6797 71.0215 174.9880 83 G 4.0537 8.4172 107.7185 44.4394 0.0000 173.6398 84 W 4.1114 7.9358 129.5222 57.6126 31.1940 175.0478 85 K 4.0637 6.7458 122.7363 53.6539 35.5742 174.1423 86 P 4.0526 0.0000 0.0000 62.7960 32.8388 178.2830 87 S 4.6250 7.6072 113.3298 59.0499 62.8004 175.6418 88 Q 4.1486 8.7306 117.9571 56.4556 28.6310 176.6795 89 A 4.1608 7.7855 119.2458 53.3806 17.9490 179.0132 90 D 4.4321 8.0448 120.0375 57.3169 41.0668 178.5612 91 I 3.6663 7.8265 118.5805 65.2312 37.2410 177.7382 92 R 3.9301 8.1236 117.8558 58.8908 29.6804 178.3284 93 A 3.7604 7.7522 120.7677 55.5902 18.5806 179.3215 94 V 3.7575 7.8865 113.9360 64.9379 31.5348 175.6940 95 L 4.2465 8.7509 118.4216 57.3086 44.2542 177.2209 *96 T 4.1515 7.8531 117.9790 61.3711 69.1019 176.0625 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 6 K 8.31 3.96 0.00 1.74 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 7 R 7.15 3.25 0.00 1.96 2.12 0.00 3.28 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 8 K 8.26 4.19 0.00 1.80 1.87 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.06 7.81 9 K 8.05 4.66 0.00 1.64 1.49 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.36 7.81 10 Y 8.33 4.60 0.00 2.48 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 11 T 8.41 4.49 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 0.90 0.00 0.00 12 L 7.79 4.71 0.00 1.60 1.50 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.25 4.64 0.00 2.89 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 14 L 8.33 4.68 0.00 1.59 1.56 0.82 0.97 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 15 H 9.56 4.89 0.00 3.13 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.88 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 4.42 0.00 2.31 2.40 0.00 3.86 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 2.08 2.08 0.00 17 E 8.31 4.01 0.00 2.08 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 0.00 2.31 2.28 0.00 18 K 8.50 4.50 0.00 2.07 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 19 A 8.64 4.00 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 20 A 8.02 3.89 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 21 D 8.15 4.32 0.00 2.92 2.81 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 0.00 0.00 0.00 22 F 8.55 4.10 0.00 3.44 3.24 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 23 Q 8.79 3.96 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 24 T 7.82 3.85 4.33 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 1.11 0.00 0.00 25 L 7.70 3.88 0.00 1.54 1.50 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.67 3.78 0.00 2.01 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 2.04 1.76 0.00 27 A 7.38 3.96 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 28 I 7.58 3.86 2.03 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 1.79 0.79 1.12 0.00 0.00 29 E 8.42 4.17 0.00 2.07 2.01 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 2.51 2.43 0.00 30 S 7.68 4.65 0.00 4.06 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 31 V 7.39 4.28 2.28 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 0.83 0.00 0.00 0.98 0.00 0.00 32 P 0.00 4.22 0.00 2.22 2.18 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 33 R 8.80 3.78 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 34 S 8.20 4.07 0.00 3.93 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 35 E 8.37 4.09 0.00 2.05 1.99 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 2.29 2.30 0.00 36 R 7.58 3.70 0.00 1.56 0.82 0.00 3.04 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 37 G 7.58 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 0.00 0.00 0.00 38 E 7.92 4.03 0.00 2.01 1.91 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 2.36 2.35 0.00 39 L 7.70 4.04 0.00 1.86 1.80 1.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.59 4.42 0.00 3.15 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 41 R 7.87 3.97 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 N 8.02 4.36 0.00 2.96 2.88 0.00 0.00 6.96 6.95 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 43 A 8.29 4.03 1.44 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 44 F 8.58 4.05 0.00 3.17 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 45 I 8.39 3.56 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.89 0.00 0.00 46 S 8.33 4.18 0.00 4.03 4.11 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 47 G 7.77 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 0.00 0.00 0.00 48 M 8.05 3.98 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 49 A 7.74 3.93 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 50 L 7.90 4.03 0.00 2.02 1.71 0.89 0.77 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 51 H 8.01 4.18 0.00 3.21 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.86 3.98 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 53 L 7.60 4.18 0.00 1.80 1.70 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.21 4.33 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 4.33 0.00 2.23 2.11 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 56 R 8.41 4.06 0.00 2.06 2.03 0.00 3.20 0.00 0.00 3.60 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 57 L 7.75 3.98 0.00 1.94 1.73 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.27 0.00 2.23 2.28 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 59 V 7.69 3.88 2.09 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 0.92 0.00 0.00 0.94 0.00 0.00 60 L 8.01 4.03 0.00 2.06 1.78 0.94 0.59 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 61 L 8.17 4.04 0.00 1.67 1.67 1.01 0.84 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 62 T 7.40 3.73 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 63 A 7.75 4.13 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.94 3.93 2.04 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 1.49 0.90 1.12 0.00 0.00 65 L 7.00 3.55 0.00 1.80 1.54 0.79 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.23 4.61 0.00 4.03 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 67 E 8.77 4.25 0.00 2.02 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 0.00 2.35 2.38 0.00 68 E 7.97 4.53 0.00 2.02 1.99 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 2.30 2.39 0.00 69 F 7.90 4.31 0.00 3.05 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 70 S 7.54 4.40 0.00 3.86 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 71 A 8.52 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.49 4.21 0.00 2.68 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 73 Q 7.86 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 74 V 7.30 3.56 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 0.98 0.00 0.00 0.81 0.00 0.00 75 V 7.85 3.41 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 0.88 0.00 0.00 0.80 0.00 0.00 76 T 7.83 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 77 L 8.11 3.99 0.00 1.86 1.76 0.96 0.61 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 78 L 8.14 4.03 0.00 1.86 1.69 0.66 0.46 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 79 S 8.19 4.47 0.00 4.28 4.50 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 80 Q 8.41 4.18 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 81 T 7.49 4.61 4.41 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 0.00 0.00 1.33 0.00 0.00 82 T 8.19 4.43 4.68 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 1.35 0.00 0.00 83 G 8.42 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 84 W 7.94 4.11 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.75 4.06 0.00 1.36 1.31 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.51 7.81 86 P 0.00 4.05 0.00 1.90 1.96 0.00 3.37 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 2.01 2.11 0.00 87 S 7.61 4.63 0.00 3.87 3.12 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 88 Q 8.73 4.15 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 89 A 7.79 4.16 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 90 D 8.04 4.43 0.00 2.69 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 91 I 7.83 3.67 1.94 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 1.74 0.72 0.91 0.00 0.00 92 R 8.12 3.93 0.00 2.05 1.92 0.00 3.17 0.00 0.00 3.36 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 93 A 7.75 3.76 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.89 3.76 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 0.86 0.00 0.00 1.02 0.00 0.00 95 L 8.75 4.25 0.00 1.63 1.48 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 *96 T 7.85 4.15 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.