NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2305 8.3144 121.7893 55.7018 33.2449 175.0202 2 E 3.8943 8.3407 124.2372 54.3982 30.2917 175.2529 3 T 4.1731 8.6753 118.1778 61.1105 72.3248 175.1817 4 A 3.9847 8.4837 123.0903 55.0814 18.4227 179.8878 5 A 3.9606 7.9940 118.6693 55.4684 18.5682 179.6410 6 A 4.0285 8.2177 119.3440 55.0570 18.3214 179.7677 7 K 4.1419 8.3924 119.9598 59.0378 32.2771 178.8310 8 F 4.1082 8.4463 121.0033 61.3265 39.3151 176.9321 9 E 3.9976 8.5030 118.2395 59.5173 29.0575 179.4160 10 R 3.8864 7.9500 117.7015 59.4070 30.2123 178.2191 11 Q 4.0124 8.0629 117.2966 57.9530 28.8707 176.4377 12 H 4.6597 8.1327 113.4493 55.0910 30.5944 173.1268 13 M 4.4955 7.7059 120.1645 53.8322 33.3139 176.5592 14 D 4.6578 8.1812 122.7499 51.3043 41.8737 174.0488 15 S 4.1611 8.1218 117.3148 58.5392 63.9855 174.7185 16 S 4.1398 8.6472 122.8344 61.9516 62.9964 176.3962 17 T 4.0790 7.8033 117.4804 65.7630 68.3270 176.6752 18 S 4.3329 7.9883 116.3195 60.7089 64.4351 175.0710 19 A 4.1868 7.8702 125.0423 52.3772 15.5798 176.2592 *23 S 4.2251 7.5453 115.4108 57.5566 64.0276 173.4887 24 N 4.7139 8.4288 120.3676 53.8165 38.7338 175.8351 25 Y 3.9905 8.0377 121.2592 62.0291 38.8262 177.5645 26 C 4.1874 8.3782 117.0448 60.0915 40.0854 175.8998 27 N 4.4529 8.1310 116.5963 56.3005 38.2471 177.0466 28 L 4.0715 7.4226 118.8601 57.8768 41.8993 178.8162 29 M 3.8248 7.5255 117.1183 58.0680 33.6662 177.5795 30 M 4.3712 7.9036 120.1063 55.6589 27.6969 177.1541 *33 R 4.1975 7.4426 114.8805 55.2067 32.4527 175.8543 34 N 4.3293 8.2171 113.1011 54.5774 35.7554 174.4304 35 L 4.5498 8.0776 116.6950 55.0208 41.6222 177.7993 36 T 5.3397 7.5558 105.4413 59.9872 69.4476 174.9585 37 K 4.0584 8.0796 121.3594 59.4699 32.2243 177.2941 38 D 4.7661 7.6390 116.8673 54.1415 42.2497 176.0417 39 R 3.6441 7.0930 114.2185 55.2397 31.6771 174.2466 40 C 4.8887 8.5773 116.5493 55.4729 40.5690 173.9788 41 K 4.1676 8.8005 127.5206 55.9280 32.5199 174.7574 42 P 4.8383 0.0000 0.0000 64.9396 32.2962 176.4319 43 V 5.0388 7.5723 116.1804 61.6868 34.9137 173.5703 44 N 4.7494 9.1409 123.7953 52.6106 42.7296 172.9655 45 T 4.7617 7.7042 121.0176 61.6031 71.2838 173.3143 46 F 4.7939 8.8710 124.2970 55.6538 41.8644 174.5809 47 V 4.5375 8.4214 122.4430 61.7051 32.9763 174.9123 48 H 4.9067 8.9856 123.8997 55.8574 29.4614 175.1634 49 E 4.2930 8.1288 118.4702 55.3386 30.4314 177.0540 50 S 4.3498 8.2984 115.0406 58.2257 65.0087 174.8599 51 L 3.9343 8.5372 124.3106 58.5000 41.8441 179.2622 52 A 4.2137 7.9479 120.1192 55.3421 18.1641 179.2190 53 D 4.3529 8.2104 116.8031 57.3075 41.1413 178.9016 54 V 3.7548 7.8812 119.0076 66.0767 31.6822 178.1258 55 Q 3.9731 8.6211 118.0177 58.8782 28.4795 178.6747 56 A 4.0701 8.1785 121.4912 54.6136 18.3174 179.6472 57 V 3.4830 7.7727 117.1350 66.1032 31.2903 177.0512 58 C 3.9759 7.8481 114.9326 58.1376 39.8904 174.1590 59 S 4.6730 7.6765 114.8627 57.9612 63.9185 174.7615 60 Q 4.5209 7.6928 122.5732 56.3932 30.4293 177.4800 61 K 4.1424 7.7900 130.9687 57.1054 33.0955 175.3767 62 N 4.4737 8.8168 127.3572 53.5438 39.2637 174.1985 63 V 4.5859 8.4666 118.4822 59.2234 36.8346 174.6535 64 A 4.2775 8.3564 124.2713 52.1129 19.1652 178.3033 65 C 4.7373 8.7946 119.3469 55.7921 41.4630 175.2005 66 K 3.7415 9.1475 122.1448 59.8155 31.6368 178.0819 67 N 4.5701 8.0454 112.7824 52.9609 37.3814 175.7592 68 G 3.9639 8.1885 108.8362 45.6124 0.0000 174.4869 69 Q 4.2049 8.5060 119.3408 56.3462 29.1966 176.4658 70 T 4.5868 8.3370 109.0338 61.6054 69.1668 173.8290 71 N 5.0470 7.9545 118.1500 53.8634 38.5292 174.7034 72 C 5.3248 7.4226 115.9725 56.8272 44.2272 172.7165 73 Y 5.0902 9.0459 118.5748 56.3825 41.9773 173.9236 74 Q 5.0390 9.1009 125.4939 54.0497 31.3354 174.9388 75 S 4.3935 8.6394 121.5951 58.6559 63.1828 174.3232 76 Y 4.3860 8.8735 120.7958 60.5409 37.9433 176.4578 77 S 5.1099 7.8137 113.8684 56.5967 65.5691 174.5403 78 T 4.1388 8.2783 111.9470 62.0812 69.7301 173.5444 79 M 5.0281 8.9384 122.1435 53.3690 36.7075 174.6642 80 S 4.8792 9.3994 117.4564 58.3392 63.7444 173.1669 81 I 5.1153 8.9391 119.8289 59.7878 41.9138 173.8673 82 T 5.0895 8.9550 118.5204 61.8953 72.3111 172.7078 83 D 5.1197 9.6272 126.6959 53.0615 43.4869 174.2119 84 C 5.6599 9.3206 123.0515 55.2164 40.1849 172.9290 85 R 5.2389 8.8935 123.5179 54.2575 33.2039 174.4484 86 E 4.2586 8.9387 125.7126 56.4942 29.8571 177.0727 87 T 4.2968 8.4982 113.3107 60.7411 69.9454 176.1418 88 G 3.7280 8.4764 110.6268 48.2516 0.0000 174.8591 89 S 4.3975 7.2257 111.2403 58.8275 63.4656 174.6179 90 S 3.9204 7.1979 115.1376 58.7299 62.4765 173.9409 91 K 4.1633 8.7194 126.6857 55.6265 33.8547 173.8874 92 Y 4.3346 8.7914 127.8739 57.9209 38.9024 174.2244 93 P 3.6008 0.0000 0.0000 62.8658 32.1859 176.7926 94 N 4.7759 7.9877 119.1214 52.2469 37.3596 173.6192 95 C 4.6084 7.7859 116.5545 56.8416 42.8917 173.4536 96 A 4.9968 8.4870 124.0147 50.6948 22.3569 174.7552 97 Y 5.0800 9.3892 119.0906 55.9887 42.0024 174.9873 98 K 4.5233 9.3197 124.2466 55.7100 34.1367 175.1880 99 T 5.1135 8.5668 123.7132 62.4107 70.4186 174.1423 100 T 4.6275 8.7822 122.4193 61.9703 72.2332 173.3728 101 Q 4.8629 8.8370 125.3154 55.6107 30.3055 174.7849 102 A 4.6228 8.6722 122.5528 51.2753 23.7319 175.0441 103 N 5.3016 8.6426 115.3343 51.7895 41.3876 174.2723 104 K 4.7643 8.8166 122.4317 54.6168 37.6634 175.6047 105 H 4.7847 9.4480 119.4572 55.8416 29.8695 174.9679 106 I 4.7863 8.3677 115.6739 59.3263 40.6574 174.4073 107 I 4.8612 8.0860 124.3184 59.6815 40.3184 175.0636 108 V 4.7296 8.6417 119.2443 59.2928 35.9695 174.4231 109 A 4.9589 8.6733 124.9056 51.3372 20.3031 175.8330 110 C 5.3364 8.7171 119.6936 55.2497 38.2930 173.1469 111 E 4.6452 8.7127 118.1335 56.4375 33.1240 175.2309 112 G 4.0742 9.4383 106.3848 45.0587 0.0000 172.0667 113 N 5.0763 8.1433 114.8766 50.3509 40.5681 173.1929 114 P 4.3764 0.0000 0.0000 62.6602 32.0213 176.1612 115 Y 4.8078 8.2539 121.2674 56.6313 38.3625 174.2996 116 V 4.5160 7.9993 119.1556 58.0940 36.5792 173.1917 117 P 4.8061 0.0000 0.0000 63.1626 31.3355 177.1810 118 V 4.5081 8.7988 114.7306 61.0358 34.0844 175.2067 119 H 4.8302 7.8942 120.1302 54.7761 33.4588 171.6641 120 F 4.4131 8.6966 128.2762 57.6032 39.3350 174.2666 121 D 4.5955 8.2864 126.7800 55.8591 42.2477 175.8211 122 A 4.5916 6.3653 117.6938 51.5708 22.2577 175.0815 123 S 5.1711 8.8849 113.2771 56.6103 66.2213 174.4255 124 V 4.1025 8.9735 121.2638 63.2661 31.8296 174.8991 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 K 8.31 4.23 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 2 E 8.34 3.89 0.00 2.13 1.81 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 2.39 2.37 0.00 3 T 8.68 4.17 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 1.22 0.00 0.00 4 A 8.48 3.98 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 5 A 7.99 3.96 1.34 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 0.00 0.00 6 A 8.22 4.03 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 7 K 8.39 4.14 0.00 1.98 2.03 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.45 4.11 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 9 E 8.50 4.00 0.00 2.28 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 2.52 2.74 0.00 10 R 7.95 3.89 0.00 1.78 1.92 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 8.06 4.01 0.00 1.61 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 12 H 8.13 4.66 0.00 2.01 2.87 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.71 4.50 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 14 D 8.18 4.66 0.00 2.52 2.49 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 S 8.12 4.16 0.00 3.91 3.82 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 16 S 8.65 4.14 0.00 4.02 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 17 T 7.80 4.08 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 1.23 0.00 0.00 18 S 7.99 4.33 0.00 4.05 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 19 A 7.87 4.19 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 *23 S 7.55 4.23 0.00 4.06 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 24 N 8.43 4.71 0.00 2.90 2.78 0.00 0.00 6.52 7.56 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 25 Y 8.04 3.99 0.00 3.06 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 26 C 8.38 4.19 0.00 3.18 3.13 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 0.00 0.00 0.00 0.00 27 N 8.13 4.45 0.00 3.02 2.94 0.00 0.00 6.93 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 28 L 7.42 4.07 0.00 1.45 1.57 0.91 0.91 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 29 M 7.53 3.82 0.00 1.03 0.92 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 30 M 7.90 4.37 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.53 0.00 *33 R 7.44 4.20 0.00 2.00 2.09 0.00 3.52 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 34 N 8.22 4.33 0.00 2.90 2.96 0.00 0.00 7.02 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 35 L 8.08 4.55 0.00 1.80 1.64 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.56 5.34 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 1.44 0.00 0.00 37 K 8.08 4.06 0.00 1.96 1.93 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.45 7.81 38 D 7.64 4.77 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.09 3.64 0.00 1.72 1.72 0.00 2.91 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 40 C 8.58 4.89 0.00 3.10 3.16 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 0.00 41 K 8.80 4.17 0.00 1.73 1.94 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.46 7.81 42 P 0.00 4.84 0.00 2.14 2.11 0.00 3.93 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 2.13 1.95 0.00 43 V 7.57 5.04 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 0.72 0.00 0.00 0.97 0.00 0.00 44 N 9.14 4.75 0.00 2.56 2.12 0.00 0.00 7.02 8.08 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 45 T 7.70 4.76 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 0.95 0.00 0.00 46 F 8.87 4.79 0.00 3.04 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 47 V 8.42 4.54 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 0.91 0.00 0.00 1.04 0.00 0.00 48 H 8.99 4.91 0.00 3.07 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.13 4.29 0.00 1.99 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 2.34 2.27 0.00 50 S 8.30 4.35 0.00 4.06 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 51 L 8.54 3.93 0.00 1.79 1.72 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 4.21 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 53 D 8.21 4.35 0.00 2.81 2.76 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 54 V 7.88 3.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 55 Q 8.62 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 56 A 8.18 4.07 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 57 V 7.77 3.48 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 1.00 0.00 0.00 0.96 0.00 0.00 58 C 7.85 3.98 0.00 2.96 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 59 S 7.68 4.67 0.00 3.92 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 60 Q 7.69 4.52 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 61 K 7.79 4.14 0.00 1.63 1.65 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.46 7.81 62 N 8.82 4.47 0.00 2.83 2.67 0.00 0.00 7.00 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 63 V 8.47 4.59 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.36 4.28 1.19 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 0.00 0.00 65 C 8.79 4.74 0.00 3.10 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 66 K 9.15 3.74 0.00 1.73 1.89 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 67 N 8.05 4.57 0.00 2.81 2.89 0.00 0.00 6.24 7.00 0.00 0.00 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 G 8.19 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 69 Q 8.51 4.20 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 70 T 8.34 4.59 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 1.18 0.00 0.00 71 N 7.95 5.05 0.00 3.10 3.16 0.00 0.00 6.05 7.68 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 72 C 7.42 5.32 0.00 2.74 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 73 Y 9.05 5.09 0.00 2.82 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 74 Q 9.10 5.04 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 75 S 8.64 4.39 0.00 3.96 3.84 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 76 Y 8.87 4.39 0.00 3.07 3.06 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 77 S 7.81 5.11 0.00 3.78 3.79 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 78 T 8.28 4.14 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 1.01 0.00 0.00 79 M 8.94 5.03 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 80 S 9.40 4.88 0.00 3.90 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 81 I 8.94 5.12 1.95 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 1.39 0.76 1.04 0.00 0.00 82 T 8.96 5.09 4.43 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 1.34 0.00 0.00 83 D 9.63 5.12 0.00 2.78 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 84 C 9.32 5.66 0.00 2.82 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 85 R 8.89 5.24 0.00 1.95 1.78 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 86 E 8.94 4.26 0.00 1.92 1.68 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 1.67 2.30 0.00 87 T 8.50 4.30 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 1.19 0.00 0.00 88 G 8.48 3.73 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 89 S 7.23 4.40 0.00 3.83 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 90 S 7.20 3.92 0.00 3.81 3.77 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 91 K 8.72 4.16 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.37 7.81 92 Y 8.79 4.33 0.00 2.93 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 93 P 0.00 3.60 0.00 1.83 1.27 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 94 N 7.99 4.78 0.00 2.89 2.74 0.00 0.00 7.02 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 95 C 7.79 4.61 0.00 3.09 3.01 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 96 A 8.49 5.00 1.11 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 0.00 0.00 97 Y 9.39 5.08 0.00 2.97 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 98 K 9.32 4.52 0.00 1.83 1.85 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 99 T 8.57 5.11 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 1.31 0.00 0.00 100 T 8.78 4.63 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 1.23 0.00 0.00 101 Q 8.84 4.86 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 102 A 8.67 4.62 1.23 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 0.00 0.00 0.00 103 N 8.64 5.30 0.00 2.54 2.73 0.00 0.00 6.65 7.61 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 0.00 104 K 8.82 4.76 0.00 1.71 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 105 H 9.45 4.78 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.37 4.79 1.66 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 1.23 0.59 1.09 0.00 0.00 107 I 8.09 4.86 1.64 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 1.12 0.63 0.81 0.00 0.00 108 V 8.64 4.73 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 0.54 0.00 0.00 0.90 0.00 0.00 109 A 8.67 4.96 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 0.00 110 C 8.72 5.34 0.00 2.27 1.77 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 0.00 111 E 8.71 4.65 0.00 2.04 1.98 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 2.11 2.22 0.00 112 G 9.44 4.07 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 0.00 0.00 0.00 113 N 8.14 5.08 0.00 2.67 2.76 0.00 0.00 6.87 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 0.00 114 P 0.00 4.38 0.00 2.20 2.08 0.00 3.77 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 2.00 1.96 0.00 115 Y 8.25 4.81 0.00 2.90 2.94 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 0.00 116 V 8.00 4.52 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 0.64 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.81 0.00 1.92 1.95 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 118 V 8.80 4.51 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 0.65 0.00 0.00 0.93 0.00 0.00 119 H 7.89 4.83 0.00 3.21 3.09 0.00 5.85 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 0.00 120 F 8.70 4.41 0.00 3.03 2.83 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 0.00 121 D 8.29 4.60 0.00 2.55 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 0.00 122 A 6.37 4.59 1.17 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 0.00 123 S 8.88 5.17 0.00 3.96 4.09 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 0.00 0.00 0.00 0.00 124 V 8.97 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.