NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3423 8.2993 121.7903 56.0917 34.5347 177.5638 4 P 4.4647 0.0000 0.0000 61.8184 29.0943 175.8415 5 I 3.6328 7.6437 121.7446 65.1537 37.7102 179.1510 6 L 3.9351 7.6980 119.4422 58.0128 42.1897 178.3229 7 K 4.0619 7.9452 117.5396 59.7720 32.4122 177.8039 8 D 4.6234 8.5149 119.3972 57.4393 40.7297 179.4897 9 S 4.4572 8.5024 114.2283 58.8677 62.9544 176.4952 *11 K 4.2211 8.0229 122.9875 56.4916 33.8737 178.0034 12 L 3.7354 7.9969 119.4737 58.0873 41.9996 177.6057 13 F 5.0101 7.9838 115.5487 57.4162 38.7949 177.0707 14 E 3.9649 8.2376 121.6312 59.4490 29.2403 179.4098 15 A 4.0566 8.0134 121.0079 54.7465 18.6443 178.5079 16 L 4.0512 8.2536 115.6515 55.4694 41.9429 177.4974 17 G 3.8906 6.5621 103.5716 45.6639 0.0000 170.9395 18 T 4.1831 7.9763 117.1394 63.5997 69.4050 174.0417 19 I 5.0860 8.4722 127.5396 59.9364 38.8104 175.2892 20 K 4.9550 9.2511 125.8381 54.5639 36.1578 175.3020 21 S 5.9953 8.7298 115.7968 56.1842 66.4331 172.8950 22 R 4.7438 8.4621 115.1964 54.9960 32.3789 174.2597 23 S 4.3084 8.7184 116.0228 57.7411 63.7814 174.4289 *25 F 3.8736 8.3787 117.7662 57.2394 39.9496 176.6559 26 G 3.8967 8.3369 108.9949 44.9867 0.0000 174.6108 27 G 3.6933 6.9440 108.9660 45.2531 0.0000 172.3546 28 F 5.1048 8.9322 122.6723 55.4259 42.4301 174.9646 29 G 3.9145 9.1297 112.2860 45.6508 0.0000 172.0770 30 L 5.3460 8.2911 123.4536 52.7286 44.3050 175.4722 31 F 5.2464 9.7563 122.3328 55.5793 42.6003 173.9671 32 A 5.1312 9.3275 125.0236 50.8547 21.0783 176.6947 33 D 4.3068 9.3595 124.9877 55.7111 38.8117 174.7731 34 E 4.1763 8.3881 115.4538 56.8904 28.2963 175.6963 35 T 4.8387 7.8564 117.7021 62.5631 70.2286 174.7642 *37 F 4.9162 8.5056 116.6172 57.5289 40.4826 174.6156 38 A 5.2100 6.9416 118.9645 50.9031 23.3717 174.8660 39 L 4.6077 8.9174 120.8890 53.6075 45.9531 174.8333 40 V 4.7991 8.7040 127.3849 61.5654 33.0867 174.8437 41 V 4.4341 8.4491 125.7937 60.9405 35.0181 173.3395 42 N 3.9507 9.0688 116.8102 55.3530 36.1401 173.5070 43 N 4.1266 8.3703 110.6623 54.1742 37.9111 173.4113 44 Q 4.3175 7.7398 113.1360 53.6510 33.4690 174.2261 45 L 4.4515 8.0542 123.6914 55.2912 43.4974 175.0747 46 H 5.5707 9.6805 123.0582 54.1755 32.3421 172.9124 47 I 5.0561 8.6863 122.2344 59.3581 40.2290 175.0082 48 R 3.7413 8.8411 126.6505 56.1087 30.5392 175.3497 49 A 4.6991 8.4349 129.0470 49.8481 20.8775 176.5132 50 D 4.4862 8.4028 122.1339 52.5740 40.8297 176.9995 51 Q 3.9163 8.6818 118.9843 59.5833 28.7747 178.2600 52 Q 3.9266 7.8974 118.3352 59.1725 28.8457 178.6959 53 T 3.4421 8.2434 116.9816 66.5673 68.4651 176.7271 54 S 4.0717 8.1346 115.3959 61.1892 62.3693 176.1149 55 S 4.0804 8.1707 115.9372 61.3390 62.1463 175.4698 56 D 4.3011 7.9748 120.6052 57.5126 40.9010 177.8933 57 F 4.3148 8.5213 118.5751 61.1045 38.9428 177.8152 58 E 4.4965 8.4118 119.0366 59.3281 29.0655 179.4673 59 T 3.9762 7.8457 114.8043 66.3404 68.4880 175.5336 60 Q 4.5324 8.0147 117.8534 55.5434 29.0462 176.7314 61 G 3.9560 7.9691 107.8596 45.3361 0.0000 174.0336 62 L 4.4886 8.0864 120.3162 53.4360 42.8121 175.8569 63 K 4.7260 8.4362 120.9875 53.7881 34.7337 174.7342 64 P 3.5728 0.0000 0.0000 61.6690 32.3405 175.2425 65 Y 4.2053 8.5944 121.1786 58.0947 39.8127 174.9585 66 V 4.3370 7.4794 125.5409 60.9892 33.8970 173.8610 67 Y 4.4522 8.3333 130.0876 56.8801 40.0479 174.1877 68 K 4.9168 8.5137 124.9466 54.3967 36.1013 175.6778 69 K 4.3185 8.2954 124.7049 55.8158 34.9319 176.3659 70 R 3.7829 9.8426 126.2015 57.4081 27.6514 177.1487 71 G 3.7725 8.3707 102.8548 45.3111 0.0000 173.2149 72 F 4.7506 8.3721 123.8846 55.8383 40.5395 172.5822 73 P 4.9778 0.0000 0.0000 61.8584 32.9092 175.5997 74 V 4.2563 9.0691 124.4059 60.8841 33.6696 174.5415 75 V 3.9697 8.3892 129.2143 63.0290 32.1081 175.5096 76 T 4.3486 8.1321 118.5240 60.0086 71.5218 174.2923 77 K 4.4766 8.4718 117.8223 56.5711 33.5150 175.5063 78 Y 4.8634 8.1007 119.8990 56.6909 39.8524 174.1715 79 Y 5.0363 8.8598 122.4644 55.7251 40.6088 175.4227 80 A 4.3476 8.8146 126.3859 52.0710 19.0859 177.2327 81 I 4.3410 8.3230 116.1595 60.0415 39.3343 176.1002 82 S 4.4836 8.5819 117.5349 57.6736 64.0792 175.3111 83 S 4.2909 8.7578 117.1339 61.9324 62.2889 176.5082 84 E 3.9809 8.1886 120.8008 59.1168 29.4531 178.6821 85 L 4.1510 8.1492 120.3291 57.8839 42.0267 178.4560 86 W 4.4773 8.1572 127.1381 60.8372 30.6980 177.1167 87 E 4.2059 8.4669 115.3917 56.5788 30.3614 177.3038 88 S 4.5839 7.9407 115.4569 55.3383 62.4181 173.9152 89 S 3.9641 8.2635 121.2352 61.4681 63.0374 175.6597 90 D 4.3567 7.9832 120.5728 57.4693 40.5909 179.0038 91 R 3.9579 7.9127 118.0856 59.1202 30.0910 178.6625 92 L 4.1041 8.1899 120.2538 58.2278 42.0138 178.9700 93 I 4.0388 8.0668 119.8751 64.6422 37.0472 178.0423 94 E 3.9397 8.2403 119.8773 59.0532 29.4111 178.9814 95 V 3.5846 8.1162 118.2557 65.9841 31.5630 177.8686 96 A 3.9466 8.2810 120.6292 54.9543 18.1406 179.3786 97 K 3.6611 8.2607 118.4388 59.6538 32.2509 179.1791 98 K 3.9556 8.1974 118.7326 59.4168 31.9306 179.2944 99 S 4.0743 8.2110 113.5321 61.1527 62.0757 175.9704 100 L 3.8998 7.8791 122.2940 58.0382 42.0834 178.0795 101 E 4.0412 8.1293 119.1715 59.6831 29.3612 178.5541 102 N 4.2503 8.4625 114.8468 56.3052 38.6543 176.8750 103 A 4.1762 8.0334 120.7071 53.5561 18.5906 177.5028 104 K 4.1497 7.9350 121.5705 56.5023 32.5176 175.9737 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 3 K 8.30 4.34 0.00 1.74 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 4 P 0.00 4.46 0.00 2.42 2.23 0.00 3.81 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 2.30 2.15 0.00 5 I 7.64 3.63 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 0.42 0.00 0.00 6 L 7.70 3.94 0.00 1.60 1.64 0.97 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.95 4.06 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 8 D 8.51 4.62 0.00 3.26 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 9 S 8.50 4.46 0.00 4.17 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 0.00 *11 K 8.02 4.22 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.60 7.81 12 L 8.00 3.74 0.00 1.34 1.12 0.66 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.98 5.01 0.00 3.42 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 14 E 8.24 3.96 0.00 2.22 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 0.00 2.49 2.30 0.00 15 A 8.01 4.06 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 16 L 8.25 4.05 0.00 1.74 1.52 0.96 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 G 6.56 3.89 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 0.00 0.00 0.00 18 T 7.98 4.18 4.39 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 1.25 0.00 0.00 19 I 8.47 5.09 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.05 1.15 0.00 0.00 20 K 9.25 4.95 0.00 1.68 1.61 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 21 S 8.73 6.00 0.00 4.00 3.86 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 0.00 0.00 0.00 22 R 8.46 4.74 0.00 1.80 1.90 0.00 2.74 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.67 0.00 23 S 8.72 4.31 0.00 3.67 3.66 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 0.00 0.00 0.00 *25 F 8.38 3.87 0.00 2.93 2.99 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 26 G 8.34 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 0.00 0.00 0.00 27 G 6.94 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 28 F 8.93 5.10 0.00 2.92 2.93 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 29 G 9.13 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 0.00 0.00 0.00 30 L 8.29 5.35 0.00 0.99 1.25 0.92 1.15 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 31 F 9.76 5.25 0.00 2.95 3.02 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 0.00 0.00 0.00 0.00 32 A 9.33 5.13 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 33 D 9.36 4.31 0.00 2.82 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 34 E 8.39 4.18 0.00 2.23 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 0.00 2.20 2.36 0.00 35 T 7.86 4.84 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 1.27 0.00 0.00 *37 F 8.51 4.92 0.00 3.06 3.28 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 38 A 6.94 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.92 4.61 0.00 0.88 1.09 0.59 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.70 4.80 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 0.97 0.00 0.00 0.94 0.00 0.00 41 V 8.45 4.43 1.56 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 -0.69 0.00 0.00 0.70 0.00 0.00 42 N 9.07 3.95 0.00 2.88 2.95 0.00 0.00 7.08 8.00 0.00 0.00 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 N 8.37 4.13 0.00 2.71 2.75 0.00 0.00 6.99 7.08 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 44 Q 7.74 4.32 0.00 2.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 45 L 8.05 4.45 0.00 1.64 1.55 1.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.68 5.57 0.00 3.26 3.44 0.00 5.82 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 47 I 8.69 5.06 2.03 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 1.30 1.14 1.01 0.00 0.00 48 R 8.84 3.74 0.00 1.78 1.78 0.00 3.28 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 49 A 8.43 4.70 1.05 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 50 D 8.40 4.49 0.00 2.86 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 51 Q 8.68 3.92 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 52 Q 7.90 3.93 0.00 2.18 2.06 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 2.41 2.41 0.00 53 T 8.24 3.44 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 0.09 0.00 0.00 54 S 8.13 4.07 0.00 3.94 3.88 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 55 S 8.17 4.08 0.00 3.96 3.99 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 56 D 7.97 4.30 0.00 2.90 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 57 F 8.52 4.31 0.00 3.02 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 58 E 8.41 4.50 0.00 2.12 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 2.49 2.59 0.00 59 T 7.85 3.98 4.44 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 1.23 0.00 0.00 60 Q 8.01 4.53 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.69 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 61 G 7.97 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 62 L 8.09 4.49 0.00 1.71 1.61 -0.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.44 4.73 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 64 P 0.00 3.57 0.00 1.97 1.17 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 65 Y 8.59 4.21 0.00 3.07 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 66 V 7.48 4.34 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 0.69 0.00 0.00 0.84 0.00 0.00 67 Y 8.33 4.45 0.00 3.15 2.66 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 0.00 0.00 0.00 68 K 8.51 4.92 0.00 1.55 1.55 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.28 7.81 69 K 8.30 4.32 0.00 1.54 1.35 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.39 7.81 70 R 9.84 3.78 0.00 1.95 1.95 0.00 3.31 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 71 G 8.37 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 0.00 0.00 0.00 72 F 8.37 4.75 0.00 2.98 2.72 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 0.00 73 P 0.00 4.98 0.00 2.07 1.98 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 74 V 9.07 4.26 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 0.92 0.00 0.00 0.73 0.00 0.00 75 V 8.39 3.97 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 0.79 0.00 0.00 0.88 0.00 0.00 76 T 8.13 4.35 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 0.98 0.00 0.00 77 K 8.47 4.48 0.00 1.49 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 78 Y 8.10 4.86 0.00 3.06 3.02 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 0.00 0.00 0.00 0.00 79 Y 8.86 5.04 0.00 3.10 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 80 A 8.81 4.35 1.13 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 0.00 0.00 81 I 8.32 4.34 2.02 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 1.07 0.00 0.00 82 S 8.58 4.48 0.00 4.25 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 83 S 8.76 4.29 0.00 4.16 4.23 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 84 E 8.19 3.98 0.00 1.98 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 0.00 2.34 2.47 0.00 85 L 8.15 4.15 0.00 1.86 1.96 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.16 4.48 0.00 3.45 3.36 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 87 E 8.47 4.21 0.00 2.21 1.97 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 2.37 2.42 0.00 88 S 7.94 4.58 0.00 3.87 3.71 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 89 S 8.26 3.96 0.00 3.78 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 90 D 7.98 4.36 0.00 2.67 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 91 R 7.91 3.96 0.00 2.02 2.01 0.00 3.15 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 1.73 1.69 0.00 92 L 8.19 4.10 0.00 2.02 1.89 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.07 4.04 2.10 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 1.56 0.78 0.99 0.00 0.00 94 E 8.24 3.94 0.00 2.14 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 2.32 2.37 0.00 95 V 8.12 3.58 2.33 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 1.05 0.00 0.00 1.07 0.00 0.00 96 A 8.28 3.95 0.99 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 0.00 0.00 97 K 8.26 3.66 0.00 1.92 2.11 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 98 K 8.20 3.96 0.00 1.98 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.59 7.81 99 S 8.21 4.07 0.00 3.92 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 0.00 100 L 7.88 3.90 0.00 1.48 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.13 4.04 0.00 2.04 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 2.34 0.00 102 N 8.46 4.25 0.00 2.83 2.96 0.00 0.00 7.11 7.24 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 0.00 103 A 8.03 4.18 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 0.00 104 K 7.94 4.15 0.00 1.82 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.