NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.7930 8.4545 109.7365 44.9646 0.0000 174.1335 -1 S 3.4567 9.1983 112.8938 59.0572 59.7274 173.9341 *0 H 4.2275 8.1763 113.7094 55.5811 25.2933 177.7734 *0 S 3.9675 8.0663 111.2094 58.8811 60.0933 178.2734 3 L 4.9685 7.1833 118.1037 55.8556 45.5182 173.7324 4 A 4.3968 8.0957 115.4725 51.5533 21.9811 175.3631 5 I 4.8105 8.6611 123.6716 59.8230 39.7951 174.8769 6 D 4.9205 8.7716 125.1492 52.4295 44.0431 174.2342 7 L 5.6933 8.5250 124.6167 52.1514 45.4319 175.6537 8 E 4.6199 8.5198 122.2682 55.0218 33.3342 173.4431 9 V 4.6610 8.4680 127.0281 61.4421 33.1945 175.4464 10 K 4.3791 9.1468 130.3908 55.0781 32.5862 176.3373 11 Q 3.6503 8.2064 127.9267 56.6584 26.3611 174.9998 12 D 4.6465 8.6596 123.3536 54.6588 39.2142 175.2632 13 V 4.8704 7.8483 119.8669 61.6260 34.5644 173.7811 14 L 5.0545 9.2507 129.9639 53.5315 44.3303 174.7377 15 I 4.8193 8.9635 127.9672 59.7911 39.5135 174.8008 16 V 4.7116 9.2861 127.3117 61.2375 34.2825 174.1852 17 R 5.0793 9.0471 127.9077 54.5724 31.5013 175.1155 18 L 5.1408 8.7925 124.3723 53.0304 44.3473 175.7303 19 S 4.6028 9.2266 116.9170 58.4363 65.1090 170.8502 20 G 4.2670 7.8441 116.3574 44.6300 0.0000 171.2110 21 E 5.0894 8.6725 122.6871 54.8131 31.6695 176.0590 22 L 4.7202 9.1524 127.3615 53.6012 42.9612 174.3062 23 D 5.1448 8.1735 126.6469 51.5445 42.9271 174.9185 24 H 4.5139 9.3066 117.4474 59.6262 29.1354 176.6603 25 H 3.9802 8.2866 118.9896 60.0100 29.7342 176.9933 26 T 3.6479 8.9378 114.6097 64.9332 67.1937 175.9691 27 A 4.1500 8.9429 123.4294 54.4394 18.3458 179.1607 28 E 3.9402 7.9499 118.6208 59.1425 29.7188 178.4937 29 E 3.8819 7.7203 119.2277 58.9604 29.6429 178.3139 30 L 3.9109 7.7297 119.9249 58.3356 42.1967 178.6231 31 R 3.8645 7.9008 118.4971 59.6595 29.6824 177.8788 32 E 3.9211 8.1365 118.6382 59.5616 29.7849 178.9112 33 Q 4.0048 8.1526 118.0706 58.7313 28.7713 178.9030 34 V 3.5820 8.1033 119.8171 66.2828 31.5950 178.3332 35 T 3.9223 7.9755 109.4559 64.6291 68.3539 175.9854 36 D 4.2752 7.8412 121.1110 57.2940 41.2909 178.3985 37 V 3.6539 7.6794 118.5601 65.8428 31.2723 178.0243 38 L 4.0765 7.8734 118.1128 57.4472 41.4525 178.9152 39 E 4.1381 7.7836 117.9759 59.2764 29.5980 178.5212 40 N 4.5888 7.8659 114.6483 54.2274 39.0231 175.3544 41 R 4.6482 7.2947 117.4234 54.2876 34.2568 175.5858 42 A 4.2938 8.2752 123.9755 51.2227 17.1419 175.2240 43 I 4.1925 7.6794 120.4576 60.1520 38.6051 175.8596 44 R 4.3096 8.9328 126.2110 57.5610 31.7872 175.5686 45 H 5.5108 7.9917 113.9292 53.9498 33.4208 172.5695 46 I 5.1334 8.3584 120.2749 59.5895 40.7269 175.0688 47 V 4.5791 8.9079 126.0588 60.9581 34.4500 173.8273 48 L 4.9645 9.3665 130.4469 53.3527 44.2772 174.8283 49 N 5.0093 9.3704 127.7765 52.6678 39.8255 174.8811 50 L 4.8424 8.8884 126.6698 54.4572 42.1810 178.8430 51 G 3.7809 8.6140 111.2282 48.5147 0.0000 175.0387 52 Q 4.4255 7.5981 117.4510 55.2048 28.8791 174.4623 53 L 4.5486 7.7408 121.9603 55.4751 41.7074 177.1073 54 T 4.2509 9.6435 125.2455 66.3769 69.5661 173.9828 55 F 4.4614 7.7492 121.3780 57.9718 43.1474 171.2720 *57 D 4.0285 8.2514 116.9202 53.9396 41.9127 175.3057 58 A 4.0809 8.3732 118.5956 55.0941 18.0685 179.9105 59 S 4.2370 8.1788 113.6682 61.3179 62.3799 176.7642 60 G 3.6292 8.3750 109.3322 47.5284 0.0000 175.9637 61 L 4.1839 7.8684 121.0564 57.4823 41.7834 179.1879 62 G 3.8282 8.2204 106.0078 48.2333 0.0000 176.0475 63 V 3.7312 7.6462 122.1330 63.9502 31.1777 178.5597 64 I 3.7611 7.3617 119.7784 64.1773 36.9702 177.9903 65 L 4.0745 8.2413 121.5811 58.0414 41.7050 179.0482 66 G 3.6927 8.2426 105.7371 48.0842 0.0000 175.8779 67 R 3.9713 7.8458 120.0128 58.9211 29.9870 178.4399 68 Y 4.0052 8.2252 119.6305 60.7658 38.7069 178.3364 69 K 3.3571 8.3892 119.4527 59.3594 31.6988 179.4025 70 Q 3.9133 7.6063 118.2210 59.1603 28.6198 178.9240 71 I 3.8429 7.6266 120.7463 63.8015 36.9349 178.4154 72 K 3.5399 8.1824 121.7466 59.4892 31.7577 178.3261 73 N 4.2313 7.4601 115.7772 56.5184 38.8578 176.2088 74 V 4.0214 7.0087 111.4449 60.5411 31.7990 176.0597 75 G 3.7871 8.1084 106.9995 46.7994 0.0000 173.9581 76 G 4.7031 7.8933 108.6212 43.9886 0.0000 172.1427 77 Q 4.7441 8.3976 117.3342 54.5668 33.2304 174.0017 *79 V 4.3022 8.2448 118.5337 63.8141 33.1427 175.7443 80 V 5.0773 8.5715 127.4536 61.5212 34.1465 174.0343 81 C 5.8284 9.2026 120.0321 56.2905 33.5816 173.0480 82 A 3.9035 8.2055 117.9775 53.3106 16.0613 177.8125 83 V 3.9675 7.8358 119.8731 63.5187 32.6297 176.3867 84 S 4.4940 8.2746 122.0659 56.9874 65.5072 173.4855 85 P 4.1249 0.0000 0.0000 65.5800 30.8516 178.4596 86 A 3.8935 7.9388 117.7988 55.6022 18.4749 179.5315 87 V 3.3677 7.4047 116.0682 65.6410 31.3875 178.1386 88 K 3.6551 8.1252 120.0731 59.0702 31.9823 178.5379 89 R 3.8566 8.2495 119.5019 59.7231 29.7322 178.5340 90 L 4.0676 7.1871 115.6742 57.7843 41.9710 179.2784 91 F 4.7632 7.9295 117.5877 60.3677 38.3983 176.6935 92 D 4.8925 8.0071 117.1254 55.1411 40.2912 178.0774 *94 S 4.0520 8.0899 115.6547 56.7214 64.7178 174.1296 95 G 3.5087 7.6471 108.8491 46.5491 0.0000 175.5854 96 L 3.7049 7.6291 123.6085 57.1124 41.9271 178.2795 97 F 4.3958 7.7516 115.9689 59.3061 37.5841 177.0514 98 K 4.1345 6.1146 116.9137 57.8794 31.8624 177.0293 99 I 4.2279 7.2786 116.2507 59.5209 39.7915 174.4636 100 I 4.3894 7.2570 119.7439 59.3100 40.3419 174.2566 101 R 4.3419 8.4904 126.7486 56.1274 31.2809 175.5246 102 V 5.0346 8.3723 122.3214 61.4391 34.2111 174.1932 103 E 4.8330 9.0472 124.2049 54.6405 34.1684 176.4482 104 A 4.1953 8.7674 122.8640 54.9803 19.8778 177.1387 105 D 4.6797 8.0927 112.5437 50.8640 42.7758 175.4542 106 E 3.9355 9.0300 118.9482 59.8688 29.4218 178.5865 107 Q 3.8875 8.0605 117.2294 59.0539 28.8165 178.7047 108 F 4.3620 8.3230 118.0660 59.9362 38.4768 177.7570 109 A 4.1288 7.9645 120.7185 55.0061 18.1596 179.6309 110 L 4.0653 8.3564 117.8611 57.6396 41.6774 179.3996 111 Q 4.1080 8.0026 119.2707 58.9048 28.7937 177.8290 112 A 4.1716 7.9985 120.8747 54.0784 18.3381 178.4474 113 L 4.5621 7.2818 115.1259 53.5973 42.4700 176.4198 114 G 4.0930 7.6155 105.5462 46.5771 0.0000 175.2663 115 V 4.0032 8.0161 120.1509 63.2466 32.5633 175.5368 116 A 4.2301 7.6608 126.1278 52.2462 19.1816 175.3000 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 8.45 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 0.00 0.00 0.00 -1 S 9.20 3.46 0.00 3.89 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 *0 H 8.18 4.23 0.00 2.91 3.43 0.00 7.18 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 S 8.07 3.97 0.00 3.51 4.14 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 0.00 0.00 0.00 0.00 3 L 7.18 4.97 0.00 1.67 1.54 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.10 4.40 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 5 I 8.66 4.81 1.88 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 1.25 0.71 0.93 0.00 0.00 6 D 8.77 4.92 0.00 2.79 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 7 L 8.52 5.69 0.00 1.53 1.52 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.52 4.62 0.00 2.00 1.74 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 2.28 2.31 0.00 9 V 8.47 4.66 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 0.82 0.00 0.00 0.93 0.00 0.00 10 K 9.15 4.38 0.00 1.79 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 11 Q 8.21 3.65 0.00 2.27 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.45 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 D 8.66 4.65 0.00 2.79 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 13 V 7.85 4.87 2.25 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 0.83 0.00 0.00 1.00 0.00 0.00 14 L 9.25 5.05 0.00 1.75 1.51 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.96 4.82 1.88 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 1.13 1.13 1.02 0.00 0.00 16 V 9.29 4.71 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 0.99 0.00 0.00 0.95 0.00 0.00 17 R 9.05 5.08 0.00 1.79 1.83 0.00 3.35 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 1.57 1.59 0.00 18 L 8.79 5.14 0.00 1.61 1.58 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.23 4.60 0.00 3.85 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 20 G 7.84 4.27 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 0.00 0.00 0.00 21 E 8.67 5.09 0.00 1.93 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 2.29 2.30 0.00 22 L 9.15 4.72 0.00 1.62 1.71 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.17 5.14 0.00 2.97 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 24 H 9.31 4.51 0.00 3.26 3.38 0.00 5.75 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 25 H 8.29 3.98 0.00 3.25 3.45 0.00 5.92 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 26 T 8.94 3.65 4.47 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 1.43 0.00 0.00 27 A 8.94 4.15 1.47 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 28 E 7.95 3.94 0.00 2.10 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 0.00 2.31 2.34 0.00 29 E 7.72 3.88 0.00 1.93 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 2.30 2.36 0.00 30 L 7.73 3.91 0.00 1.84 1.85 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.90 3.86 0.00 2.00 2.20 0.00 3.16 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 32 E 8.14 3.92 0.00 2.22 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 0.00 2.31 2.35 0.00 33 Q 8.15 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 34 V 8.10 3.58 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 1.06 0.00 0.00 0.99 0.00 0.00 35 T 7.98 3.92 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 1.33 0.00 0.00 36 D 7.84 4.28 0.00 3.03 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 37 V 7.68 3.65 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 0.98 0.00 0.00 0.97 0.00 0.00 38 L 7.87 4.08 0.00 1.81 1.70 0.95 0.70 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 39 E 7.78 4.14 0.00 2.03 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 0.00 2.33 2.66 0.00 40 N 7.87 4.59 0.00 2.66 2.87 0.00 0.00 6.82 9.01 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 41 R 7.29 4.65 0.00 1.83 1.76 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 42 A 8.28 4.29 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 43 I 7.68 4.19 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 1.29 0.61 0.93 0.00 0.00 44 R 8.93 4.31 0.00 1.76 1.80 0.00 2.95 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.47 0.00 45 H 7.99 5.51 0.00 3.08 3.17 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 46 I 8.36 5.13 1.91 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 1.13 0.62 0.97 0.00 0.00 47 V 8.91 4.58 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 1.04 0.00 0.00 0.96 0.00 0.00 48 L 9.37 4.96 0.00 1.78 1.57 1.03 0.72 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 49 N 9.37 5.01 0.00 2.80 2.72 0.00 0.00 6.75 6.52 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 50 L 8.89 4.84 0.00 1.74 1.64 1.03 0.96 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 51 G 8.61 3.78 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 0.00 0.00 0.00 52 Q 7.60 4.43 0.00 2.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 53 L 7.74 4.55 0.00 1.77 1.60 1.00 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 54 T 9.64 4.25 4.36 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 1.28 0.00 0.00 55 F 7.75 4.46 0.00 3.11 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 *57 D 8.25 4.03 0.00 2.85 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 58 A 8.37 4.08 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 59 S 8.18 4.24 0.00 3.91 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 60 G 8.38 3.63 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 0.00 0.00 0.00 61 L 7.87 4.18 0.00 1.86 1.74 0.96 1.10 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 62 G 8.22 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 0.00 0.00 0.00 63 V 7.65 3.73 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 0.89 0.00 0.00 1.01 0.00 0.00 64 I 7.36 3.76 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.82 0.00 0.00 65 L 8.24 4.07 0.00 1.71 1.79 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.24 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 0.00 0.00 0.00 67 R 7.85 3.97 0.00 2.19 2.02 0.00 3.19 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 68 Y 8.23 4.01 0.00 3.06 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 69 K 8.39 3.36 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 70 Q 7.61 3.91 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 71 I 7.63 3.84 1.82 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 1.53 0.99 0.88 0.00 0.00 72 K 8.18 3.54 0.00 0.79 1.59 0.00 1.65 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.33 7.81 73 N 7.46 4.23 0.00 2.62 2.77 0.00 0.00 7.35 7.89 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 74 V 7.01 4.02 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 0.73 0.00 0.00 0.91 0.00 0.00 75 G 8.11 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 0.00 0.00 0.00 76 G 7.89 4.70 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 77 Q 8.40 4.74 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 *79 V 8.24 4.30 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 1.04 0.00 0.00 0.95 0.00 0.00 80 V 8.57 5.08 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 1.21 0.00 0.00 0.94 0.00 0.00 81 C 9.20 5.83 0.00 2.96 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 82 A 8.21 3.90 1.49 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 0.00 0.00 83 V 7.84 3.97 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 0.60 0.00 0.00 1.05 0.00 0.00 84 S 8.27 4.49 0.00 4.05 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 85 P 0.00 4.12 0.00 2.14 2.10 0.00 3.59 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 2.09 2.12 0.00 86 A 7.94 3.89 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 87 V 7.40 3.37 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 0.39 0.00 0.00 0.77 0.00 0.00 88 K 8.13 3.66 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 89 R 8.25 3.86 0.00 1.90 2.07 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 90 L 7.19 4.07 0.00 1.75 1.76 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.93 4.76 0.00 3.24 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 92 D 8.01 4.89 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.05 0.00 3.97 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 95 G 7.65 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.70 0.00 1.67 1.28 0.77 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.75 4.40 0.00 3.29 3.34 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 98 K 6.11 4.13 0.00 1.42 1.72 0.00 1.47 0.00 0.00 1.26 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 0.21 7.81 99 I 7.28 4.23 1.46 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.36 0.56 0.00 0.00 100 I 7.26 4.39 1.59 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 1.04 1.07 0.56 0.00 0.00 101 R 8.49 4.34 0.00 1.83 1.85 0.00 3.15 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 102 V 8.37 5.03 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 0.91 0.00 0.00 1.09 0.00 0.00 103 E 9.05 4.83 0.00 1.96 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 2.27 2.60 0.00 104 A 8.77 4.20 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 0.00 105 D 8.09 4.68 0.00 2.90 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 0.00 106 E 9.03 3.94 0.00 2.06 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 0.00 2.38 2.44 0.00 107 Q 8.06 3.89 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 108 F 8.32 4.36 0.00 3.37 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 0.00 109 A 7.96 4.13 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.36 4.07 0.00 1.80 1.71 0.91 0.94 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 0.00 111 Q 8.00 4.11 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 112 A 8.00 4.17 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 0.00 113 L 7.28 4.56 0.00 1.62 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.62 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 0.00 115 V 8.02 4.00 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 0.79 0.00 0.00 1.01 0.00 0.00 116 A 7.66 4.23 1.15 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.