NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4181 8.1733 122.0566 55.9418 33.6201 173.1992 3 K 4.4435 9.6470 126.5387 55.8318 33.0679 174.4207 4 I 4.4713 9.6533 127.7026 59.1292 41.0859 174.8532 5 G 4.0464 8.2021 113.9729 44.3585 0.0000 172.7102 6 I 4.0996 9.0586 130.0725 60.4490 38.0009 176.0446 7 F 5.2107 8.9663 132.4373 56.4035 38.0774 174.6922 8 G 4.2875 7.5139 108.2173 45.8891 0.0000 171.0266 9 G 3.2526 7.9939 107.6177 45.7371 0.0000 174.1720 10 T 4.0742 8.1808 109.5834 61.9804 69.6687 175.5497 11 F 3.6693 6.5525 114.7157 58.8355 35.7850 174.3988 12 D 4.7621 7.6518 122.8168 51.3182 41.2232 172.3405 13 P 4.9599 0.0000 0.0000 59.8878 33.9476 174.3067 14 P 4.8049 0.0000 0.0000 62.9424 32.1542 175.3033 15 H 4.8943 8.3433 113.5906 53.2374 31.2563 174.0705 16 N 4.4135 8.9265 118.3022 56.5032 38.1813 177.7460 17 G 3.3879 7.9785 106.5954 48.1511 0.0000 174.9379 18 H 4.4943 8.1099 118.9957 58.7221 28.8611 177.5571 19 L 4.2234 8.3284 120.0237 58.3961 41.4015 179.5976 20 L 3.9891 8.7124 118.8603 58.2595 41.6324 179.5280 21 M 3.7447 8.1477 118.2476 58.9854 31.8813 178.4205 22 A 3.6025 8.4744 121.6274 54.4828 18.2778 178.6767 23 N 4.3089 8.3863 117.2196 56.2098 39.3968 176.7156 24 E 4.1480 8.4407 119.7531 58.6254 30.0362 178.1690 25 V 3.5368 7.7913 117.2969 64.4343 31.3020 177.7571 26 L 3.8521 9.1023 116.0716 58.1934 41.5077 179.7334 27 Y 3.8822 8.5898 115.1364 60.9260 38.9197 176.8151 28 Q 3.9146 8.2689 120.0279 58.1650 28.5199 176.7343 29 A 4.4184 9.4024 119.9184 50.8669 19.3890 176.6523 30 G 4.0929 7.8824 104.2931 46.6242 0.0000 174.4406 31 L 4.1627 6.8438 118.3289 54.1242 42.6970 177.1015 32 D 4.6024 8.9306 120.1322 56.5088 41.6679 177.0583 33 E 4.8250 7.7701 115.3696 54.8724 34.5822 174.0124 34 I 4.8214 8.1080 121.6233 59.4564 39.7281 175.2123 35 W 5.1513 8.9120 127.1198 55.2168 31.1199 175.5326 36 F 4.6630 9.2976 125.3826 57.1744 38.5178 175.3743 37 M 4.8057 8.4648 125.7232 52.4696 31.7001 172.7486 38 P 5.6275 0.0000 0.0000 61.5954 32.1507 176.6122 39 N 4.6809 8.6713 127.7556 55.1562 40.5789 173.5136 40 Q 4.3020 9.0607 123.4528 57.0784 30.2561 175.1685 41 I 4.1471 8.6018 121.5185 59.4960 39.3048 173.9162 *52 D 4.5042 8.5387 127.1114 53.1889 42.7733 176.2743 53 S 4.4936 8.3101 119.5054 59.4055 63.0233 172.2030 54 F 4.3412 8.0804 121.9447 61.4349 39.0777 176.6625 55 H 4.5368 8.1046 116.5431 57.9801 28.5133 177.9153 56 R 3.9002 7.7673 119.8351 59.2135 30.0588 179.0065 57 V 3.5273 7.8900 118.0731 65.6486 31.4540 178.0829 58 E 3.6518 7.6997 118.4097 59.6296 29.3196 179.1213 59 M 3.6126 7.6282 118.9890 58.1020 32.0417 178.6550 60 L 3.7706 7.9561 120.6895 57.8403 42.2398 179.1832 61 K 3.8821 7.8760 118.3686 59.4246 31.8074 179.0579 62 L 4.0352 7.3995 117.4776 58.0389 41.6565 179.3142 63 A 4.0644 7.7597 119.3122 54.1665 18.5377 178.6589 64 I 4.0526 7.3345 109.0968 60.4877 38.0620 177.3514 65 Q 3.2807 7.6353 120.4781 59.5158 28.2708 178.6456 66 S 3.9710 7.8004 113.2844 58.8955 63.2703 173.0798 67 N 4.8275 7.8751 121.8958 50.9396 39.5965 173.3860 68 P 4.4518 0.0000 0.0000 65.2784 31.0176 176.8847 69 S 4.9194 8.0089 115.4589 58.0217 63.2063 175.8023 70 F 4.2711 8.4331 116.9896 54.0339 37.9804 172.4272 71 K 2.9068 5.6600 131.6658 54.6323 31.0351 175.8228 72 L 4.3904 7.7798 128.7013 55.9419 42.0687 177.8028 73 E 5.6555 7.9827 127.9814 57.9171 30.8922 177.0678 74 L 4.6547 7.4199 125.1665 54.1071 42.1661 179.2998 75 V 4.5783 7.8202 121.2828 64.1348 31.1129 176.9742 76 E 4.1711 8.0661 119.1282 57.9049 29.9130 177.0096 77 M 4.6948 8.1550 117.5604 57.1702 32.0610 176.7208 78 E 3.4700 7.7879 114.5338 59.7891 29.7846 179.4550 79 R 3.4206 7.4128 119.9939 57.9757 31.1739 172.4335 80 E 3.7837 8.1726 131.2558 56.4558 30.5949 175.1443 81 G 4.4950 7.4588 118.8549 45.9920 0.0000 171.9185 82 P 4.3022 0.0000 0.0000 61.7258 30.6534 175.1847 83 S 3.9261 8.8706 104.4222 56.6047 60.3404 171.3067 84 Y 4.3164 7.2423 124.0190 57.5153 40.5285 179.8965 85 T 3.9319 9.3955 118.3321 65.6627 67.5346 179.1827 86 F 3.5101 9.3617 130.5569 61.2057 42.9193 175.9274 87 D 4.2976 7.8266 121.0732 57.8871 40.6921 179.4294 88 T 3.8291 8.3817 116.0032 66.8124 68.3875 176.8965 89 V 3.8164 7.9585 119.5413 66.2242 31.1777 178.0808 90 S 4.2654 8.6655 115.8550 61.5339 62.6752 176.4176 91 L 3.9585 7.7334 122.7367 58.0095 41.2763 179.0969 92 L 4.2730 8.5239 119.3126 57.9058 41.5596 179.4566 93 K 4.1597 8.9418 117.6208 58.7198 31.9744 178.0855 94 Q 4.3218 7.5395 118.8461 57.9760 29.7071 177.2495 95 R 4.0770 8.3989 118.4361 57.5978 31.5498 176.5479 96 Y 4.7287 9.2594 116.5983 55.7497 38.4494 173.9043 97 P 4.5357 0.0000 0.0000 64.0780 32.2103 177.0854 98 N 4.9298 8.1849 113.7914 52.8190 39.1747 173.5470 99 D 5.0455 7.5439 117.0056 52.4803 43.5014 175.7906 100 Q 4.2212 8.3482 123.5973 55.4600 30.5063 174.3974 101 L 5.0650 8.1773 126.2212 53.1456 44.8549 175.5304 102 F 5.0438 9.0161 120.1315 55.8837 43.4601 173.6434 103 F 4.8480 9.5668 125.7878 56.9065 41.4125 174.3533 104 I 5.1696 7.2593 124.5317 59.5060 40.0435 174.9987 105 I 4.9096 8.9924 119.0447 59.5938 41.6729 174.6311 106 G 4.3706 8.7669 110.5323 44.7735 0.0000 174.4005 107 A 4.1517 8.9064 121.0722 55.9618 17.9580 178.7867 108 D 4.2270 8.2570 113.2523 58.8085 41.4519 178.4690 109 M 4.3258 8.0656 118.2432 58.4252 31.9751 178.6902 110 I 3.8383 7.6790 119.4680 64.6127 37.3289 177.9631 111 E 4.2654 8.0757 118.0421 59.7148 29.2786 178.2119 112 Y 4.5193 8.5311 117.1405 60.7998 38.6225 178.3792 113 L 3.2947 9.4639 122.7216 56.7637 44.3218 173.7385 114 P 3.6024 0.0000 0.0000 65.3372 33.1303 176.4492 115 K 4.2135 7.7734 119.3488 56.2534 32.0448 177.9135 116 W 4.3557 7.9167 129.4400 61.2467 29.7189 177.2931 117 Y 3.2728 8.4329 108.0680 59.2253 33.6349 170.9548 118 K 3.9822 9.1294 128.6675 56.1480 32.7351 173.3041 119 L 4.2451 7.9997 126.9110 54.3765 49.8100 178.1483 120 D 4.1851 7.4616 120.4007 55.6577 41.3433 178.6847 121 E 3.9927 7.8100 121.0887 57.8179 29.6937 177.8398 122 L 4.1062 7.7732 119.5292 58.7529 41.9139 179.3673 123 L 4.3667 8.0728 118.4703 57.5817 41.2834 178.1486 124 N 4.7042 8.5245 114.4150 54.1995 38.8561 174.7415 125 L 4.5563 7.4672 117.7420 56.1649 44.0518 175.7966 126 I 4.7068 8.2403 115.8544 59.2489 41.8111 174.1816 127 Q 4.8883 8.0036 120.2450 54.0854 32.1381 175.0330 128 F 5.2684 8.9700 120.7712 56.2022 41.9452 174.6628 129 I 4.8815 8.9158 122.9693 59.5666 40.2799 174.7853 130 G 5.1121 9.3297 114.5577 43.8838 0.0000 173.9100 131 V 4.6835 8.5851 120.9903 62.8073 32.5082 175.6675 *138 V 4.0467 7.6397 117.9547 62.4182 32.2895 173.6679 139 E 4.8289 9.2225 123.3306 57.4485 32.2255 177.1174 140 T 3.5503 7.0643 107.9376 58.3714 70.8645 170.5303 141 P 4.5395 0.0000 0.0000 62.7135 31.5884 174.8083 142 Y 4.6037 7.1916 115.6023 55.3992 40.2410 173.7309 143 P 4.2881 0.0000 0.0000 63.1267 31.1237 175.5359 144 L 4.6035 7.9479 124.8439 53.3532 45.0915 175.3620 145 L 4.3780 8.7900 126.1753 54.0210 43.5360 175.6701 146 F 5.6287 8.5839 118.7286 55.8621 42.4698 174.9225 147 A 4.6447 8.7336 122.1377 50.1546 21.5763 176.0507 148 D 4.3763 8.8999 123.2087 54.9287 41.2953 176.3032 149 V 4.4568 8.2123 122.6320 60.4679 34.5684 171.4561 150 P 4.2208 0.0000 0.0000 62.0757 32.1578 175.7089 151 E 4.5133 8.3630 119.3816 53.9724 29.3985 174.4291 152 F 4.8200 8.3079 124.8556 56.1225 41.9104 175.2373 153 E 4.7998 9.1894 124.2789 53.5737 29.2313 174.2428 154 V 4.4952 7.5280 119.3474 59.6059 34.9857 175.2420 155 S 4.6374 8.1415 116.4382 55.3829 66.4102 174.9518 156 S 4.1234 8.8177 117.0660 62.1934 62.8545 176.6804 157 T 3.9024 8.0242 118.6906 65.9355 67.9783 175.7884 158 M 4.0562 7.9182 120.7585 58.4622 32.1493 177.6937 159 I 3.5874 7.6593 119.2517 64.7421 37.1059 178.0656 160 R 4.0681 8.0064 117.5026 59.8240 30.0411 178.5625 161 E 4.1785 7.6092 115.9112 59.1726 29.8092 178.5961 162 R 4.0950 8.6018 119.5501 59.8662 29.7885 178.8464 163 F 5.1167 9.6741 111.8429 57.1044 39.4007 176.2746 164 K 4.3434 7.9732 119.7515 56.5411 33.3108 172.9884 165 S 4.2812 10.1907 118.0704 57.0887 62.7403 174.3924 166 K 4.0182 7.2923 114.5624 58.2129 30.4598 173.2602 167 K 4.5668 7.4916 126.2162 55.0515 34.7412 175.0797 168 P 3.7434 0.0000 0.0000 63.3834 31.7096 178.3919 169 T 3.3711 7.9968 110.7023 62.7313 66.9352 171.9688 170 D 4.4964 7.6958 120.3155 56.0286 41.3381 176.5680 171 Y 3.8396 8.0720 117.7539 58.7503 36.0711 170.1777 172 L 4.7180 7.7508 120.3694 55.2792 43.3453 176.5452 173 I 4.9339 6.9707 109.1433 57.3667 40.5535 173.9949 174 P 4.3891 0.0000 0.0000 62.9241 33.0720 177.2410 175 D 4.4296 8.5423 118.2897 56.8240 41.2512 178.7503 176 K 4.0317 7.9162 119.0272 59.4650 32.2938 179.1827 177 V 3.6495 7.7223 118.1509 65.6030 31.4926 177.7220 178 K 4.2577 8.0104 119.1893 59.5340 32.1626 178.5244 179 K 3.8253 7.8402 118.5466 59.9580 32.0419 178.2931 180 Y 3.9370 7.9391 119.1716 60.8352 38.3573 178.6245 181 V 3.6743 7.6457 117.2308 66.1268 31.7888 177.4566 182 E 3.9202 7.8430 116.8907 59.3920 29.3325 179.1192 183 E 3.9585 8.2890 117.6672 59.2832 29.7450 177.0962 184 N 4.4327 7.7896 120.1759 53.7608 39.1229 174.3436 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 K 8.17 4.42 0.00 1.90 2.04 0.00 1.79 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 K 9.65 4.44 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.59 7.81 4 I 9.65 4.47 1.18 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.62 -0.97 0.00 0.00 5 G 8.20 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 6 I 9.06 4.10 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.94 0.00 0.00 7 F 8.97 5.21 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.51 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 0.00 0.00 0.00 0.00 9 G 7.99 3.25 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 0.00 0.00 0.00 0.00 10 T 8.18 4.07 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 1.06 0.00 0.00 11 F 6.55 3.67 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 12 D 7.65 4.76 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.96 0.00 2.27 2.13 0.00 3.86 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 1.95 2.03 0.00 14 P 0.00 4.80 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 15 H 8.34 4.89 0.00 3.41 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.93 4.41 0.00 2.81 3.05 0.00 0.00 7.25 7.05 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 17 G 7.98 3.39 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 0.00 18 H 8.11 4.49 0.00 3.61 3.91 0.00 5.68 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 19 L 8.33 4.22 0.00 1.95 1.83 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.71 3.99 0.00 1.94 1.77 1.26 0.99 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 21 M 8.15 3.74 0.00 1.84 2.37 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 2.69 2.62 0.00 22 A 8.47 3.60 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 23 N 8.39 4.31 0.00 2.91 2.88 0.00 0.00 7.35 7.81 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 24 E 8.44 4.15 0.00 1.94 1.93 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 2.35 2.42 0.00 25 V 7.79 3.54 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 0.63 0.00 0.00 0.85 0.00 0.00 26 L 9.10 3.85 0.00 1.85 1.69 0.74 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.59 3.88 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 28 Q 8.27 3.91 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 29 A 9.40 4.42 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 30 G 7.88 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 0.00 0.00 0.00 31 L 6.84 4.16 0.00 1.64 1.41 0.70 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.93 4.60 0.00 2.57 2.68 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 33 E 7.77 4.83 0.00 2.03 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 2.32 2.37 0.00 34 I 8.11 4.82 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.83 0.00 0.00 35 W 8.91 5.15 0.00 3.15 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 36 F 9.30 4.66 0.00 2.74 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 37 M 8.46 4.81 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 38 P 0.00 5.63 0.00 2.04 2.10 0.00 3.97 0.00 0.00 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 39 N 8.67 4.68 0.00 2.56 2.54 0.00 0.00 6.67 7.69 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 40 Q 9.06 4.30 0.00 1.96 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 41 I 8.60 4.15 1.83 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 1.39 1.02 0.89 0.00 0.00 *52 D 8.54 4.50 0.00 2.67 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 53 S 8.31 4.49 0.00 4.23 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 0.00 54 F 8.08 4.34 0.00 3.12 3.15 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 0.00 55 H 8.10 4.54 0.00 3.29 3.49 0.00 5.97 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.77 3.90 0.00 2.04 2.09 0.00 3.15 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 57 V 7.89 3.53 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 1.00 0.00 0.00 0.98 0.00 0.00 58 E 7.70 3.65 0.00 1.57 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 1.51 1.94 0.00 59 M 7.63 3.61 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.00 0.00 60 L 7.96 3.77 0.00 1.84 1.49 0.59 0.26 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 61 K 7.88 3.88 0.00 2.00 1.77 0.00 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0.00 0.00 103 F 9.57 4.85 0.00 2.62 1.73 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 0.00 104 I 7.26 5.17 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.76 0.00 0.00 105 I 8.99 4.91 2.19 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 1.53 0.00 0.00 106 G 8.77 4.37 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 0.00 0.00 0.00 107 A 8.91 4.15 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 0.00 108 D 8.26 4.23 0.00 2.67 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 0.00 109 M 8.07 4.33 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.68 0.00 110 I 7.68 3.84 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 1.09 0.00 0.00 111 E 8.08 4.27 0.00 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0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 128 F 8.97 5.27 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.92 4.88 1.86 0.00 0.00 0.64 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 1.18 0.89 0.00 0.00 130 G 9.33 5.11 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 0.00 131 V 8.59 4.68 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 0.91 0.00 0.00 0.94 0.00 0.00 *138 V 7.64 4.05 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 0.64 0.00 0.00 1.02 0.00 0.00 139 E 9.22 4.83 0.00 2.05 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 0.00 2.10 2.17 0.00 140 T 7.06 3.55 4.45 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 1.43 0.00 0.00 141 P 0.00 4.54 0.00 1.79 1.94 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.58 0.00 142 Y 7.19 4.60 0.00 2.83 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 0.00 143 P 0.00 4.29 0.00 2.16 2.09 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 144 L 7.95 4.60 0.00 1.63 1.22 0.96 0.59 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 0.00 145 L 8.79 4.38 0.00 1.62 1.53 1.00 1.19 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 0.00 146 F 8.58 5.63 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 0.00 147 A 8.73 4.64 1.20 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 0.00 0.00 0.00 148 D 8.90 4.38 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 149 V 8.21 4.46 2.11 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 0.79 0.00 0.00 0.96 0.00 0.00 150 P 0.00 4.22 0.00 2.33 2.13 0.00 3.80 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 2.09 2.07 0.00 151 E 8.36 4.51 0.00 1.91 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 2.19 2.20 0.00 152 F 8.31 4.82 0.00 3.08 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 0.00 153 E 9.19 4.80 0.00 1.98 1.89 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 2.25 2.31 0.00 154 V 7.53 4.50 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 -0.10 0.00 0.00 0.64 0.00 0.00 155 S 8.14 4.64 0.00 3.93 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 0.00 156 S 8.82 4.12 0.00 4.32 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 0.00 157 T 8.02 3.90 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 1.22 0.00 0.00 158 M 7.92 4.06 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 159 I 7.66 3.59 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 0.27 0.00 0.00 160 R 8.01 4.07 0.00 1.78 2.09 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 161 E 7.61 4.18 0.00 2.22 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 2.37 2.59 0.00 162 R 8.60 4.10 0.00 1.99 1.87 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 163 F 9.67 5.12 0.00 3.18 2.96 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 0.00 164 K 7.97 4.34 0.00 1.69 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 165 S 10.19 4.28 0.00 3.99 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 0.00 166 K 7.29 4.02 0.00 2.02 2.10 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.42 7.81 167 K 7.49 4.57 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.46 7.81 168 P 0.00 3.74 0.00 2.24 2.04 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 169 T 8.00 3.37 3.72 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 0.00 0.00 0.00 1.50 0.00 0.00 170 D 7.70 4.50 0.00 2.89 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 0.00 0.00 0.00 171 Y 8.07 3.84 0.00 3.19 3.09 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 0.00 172 L 7.75 4.72 0.00 1.87 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 173 I 6.97 4.93 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.93 0.00 0.00 174 P 0.00 4.39 0.00 2.16 2.01 0.00 3.60 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 2.09 2.29 0.00 175 D 8.54 4.43 0.00 2.65 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 0.00 176 K 7.92 4.03 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.40 7.81 177 V 7.72 3.65 2.24 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 1.09 0.00 0.00 0.93 0.00 0.00 178 K 8.01 4.26 0.00 2.00 2.04 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.93 7.81 179 K 7.84 3.83 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.75 7.81 180 Y 7.94 3.94 0.00 3.10 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 0.00 181 V 7.65 3.67 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 0.80 0.00 0.00 1.30 0.00 0.00 182 E 7.84 3.92 0.00 2.02 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 2.01 2.44 0.00 183 E 8.29 3.96 0.00 1.65 1.86 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 2.26 2.48 0.00 184 N 7.79 4.43 0.00 2.06 2.29 0.00 0.00 7.20 8.20 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 * Residues marked with a * may have inaccurate shift predictions.