NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.5691 8.2548 109.1163 45.4150 0.0000 175.0703 17 I 3.8225 7.3630 120.2757 63.5199 37.4691 175.3945 18 T 3.9444 7.8520 116.4388 63.2503 70.2054 174.0841 19 G 3.4471 7.5218 113.4865 45.0975 0.0000 171.0877 20 T 4.6478 7.5714 118.2542 61.4975 70.4203 174.3259 21 W 4.7369 8.5724 125.4715 54.8759 33.1378 174.0378 22 Y 5.4715 9.6781 120.2856 56.4943 41.4883 175.0291 23 N 5.2869 8.8695 120.4563 50.7646 39.6938 174.7135 24 Q 4.2425 8.7657 116.1107 57.6181 29.1117 176.7931 25 L 4.5737 8.1880 117.1070 54.4218 41.9207 176.5396 26 G 4.2026 8.5593 109.7337 45.4303 0.0000 174.9797 27 S 4.4369 7.8691 114.8500 59.7862 64.1782 174.0335 28 T 5.1722 8.9130 120.2101 61.6065 71.9399 173.1602 29 F 5.0912 8.7484 119.9006 55.1893 41.2704 173.3566 30 I 4.6091 8.5436 124.6411 59.5981 38.9416 175.1844 31 V 4.8573 8.9020 120.3646 59.6832 35.8147 174.7814 32 T 4.7026 9.1666 119.3198 61.7567 71.7341 173.0829 33 A 4.8351 8.4784 129.1510 50.2659 19.5531 177.0679 34 G 3.8544 9.4968 111.1369 45.4276 0.0000 173.4490 35 A 4.1585 8.4197 122.0313 54.2670 18.4343 178.0749 36 D 4.4245 8.0289 113.6720 54.6460 41.6517 176.7527 37 G 3.3760 8.4956 107.1173 45.3154 0.0000 173.0253 38 A 4.8201 7.7813 121.8131 51.4916 20.3269 176.4697 39 L 5.3035 8.9260 121.5702 53.1502 44.8404 175.8806 40 T 4.9871 8.7283 112.9618 59.9763 72.6092 174.3365 41 G 4.4023 7.4730 108.6346 46.2485 0.0000 171.4165 42 T 5.1602 7.6370 108.5924 60.0397 73.0951 172.3631 43 Y 5.0421 9.3001 124.5630 56.2202 41.2350 174.5298 44 E 5.7429 9.1786 127.0109 53.7473 33.4301 174.2443 *49 N 4.5978 8.4665 114.8860 52.5866 38.6921 174.8810 50 A 3.9202 8.5964 124.7861 55.3370 18.4609 179.0694 51 E 4.0280 7.8783 111.2707 58.1698 29.8863 177.5060 52 S 4.8170 8.4066 116.3011 58.2028 63.4687 172.5280 53 R 4.9473 7.5168 121.1475 55.1062 31.2826 175.1020 54 Y 4.9434 9.0406 122.4755 56.1102 42.8037 174.5730 55 V 4.4748 8.5406 121.6654 62.5630 32.3329 175.1083 56 L 5.1456 8.7978 127.1841 54.4864 43.6510 175.1300 57 T 4.7136 8.4941 114.0521 61.5496 71.4989 173.3434 58 G 4.5392 8.4333 111.0800 47.2692 0.0000 172.1437 59 R 5.6191 8.4908 117.2102 55.0348 34.7936 173.9409 60 Y 5.2978 8.8943 119.2875 55.0790 41.8687 174.4908 61 D 4.2379 9.2599 121.0374 54.4263 41.0466 176.7090 62 S 4.4443 8.2087 120.5442 58.6714 64.0497 174.5364 63 A 4.6533 8.4690 123.9125 50.4478 18.8074 173.4520 64 P 4.9347 0.0000 0.0000 60.6241 32.9067 176.8065 65 A 4.2557 8.3065 121.6149 52.8907 18.8340 177.4350 66 T 4.5863 8.2524 113.6766 63.4904 69.2520 175.6023 67 D 4.5644 8.0519 119.3859 53.9769 39.3477 177.0568 68 G 3.9372 7.8883 108.1265 45.6982 0.0000 174.3036 69 S 4.2443 8.9287 116.3631 58.3524 63.2778 174.3233 70 G 4.0295 8.3209 110.1014 46.1639 0.0000 172.6255 71 T 4.8107 8.9116 116.7339 61.7116 70.1040 174.9665 72 A 4.8066 8.7122 129.2214 52.1701 20.0587 175.8561 73 L 4.9649 8.8938 120.2845 55.5937 44.7484 173.8933 74 G 4.6584 9.3506 105.6403 45.5840 0.0000 171.9704 75 W 5.8005 8.5699 116.7178 55.6887 32.3740 173.4942 76 T 5.2624 9.4061 116.5495 61.8315 72.5025 173.4146 77 V 4.5788 8.9482 124.4598 60.9947 34.4370 173.9064 78 A 4.5300 8.2944 129.6913 49.6895 20.2509 177.9296 79 W 4.1641 8.4998 125.7456 55.5174 28.0792 176.0788 80 K 5.2697 7.7317 118.4943 54.6332 35.0579 174.6062 81 N 5.0201 8.9974 122.1335 51.8100 39.9174 174.2064 82 N 4.2045 8.5007 114.0444 54.9416 38.6395 175.0396 83 Y 4.7097 8.2848 115.0034 57.8749 40.2672 175.9250 84 R 4.7502 7.7239 117.6406 54.8612 34.4948 173.7959 85 N 5.1776 8.5703 118.7859 52.5349 41.1506 173.8702 86 A 4.3523 9.3574 128.5282 51.7089 20.2198 175.9460 87 H 4.1570 8.5496 113.3491 55.7835 26.7179 173.5487 88 S 5.2088 7.3569 111.5890 57.8647 66.6781 175.0043 89 A 5.0363 9.0871 121.8570 50.8047 22.7895 175.1429 90 T 4.9057 9.0598 118.7432 61.7204 71.5691 173.3973 91 T 4.9313 8.5661 116.1320 59.6016 71.8510 172.7916 92 W 4.9068 8.6192 124.9729 54.8224 31.6511 174.6365 93 S 4.9004 8.9292 120.0803 56.9072 64.4324 173.1842 94 G 4.0927 8.5408 113.4595 46.5792 0.0000 171.6635 95 Q 5.2892 8.7565 117.5530 54.7962 32.7697 173.4489 96 Y 4.7699 9.0634 123.2895 56.9870 40.5392 174.1920 97 V 3.9459 8.8035 127.1588 60.8300 33.8952 175.3404 98 G 3.6693 7.7186 116.0398 45.0957 0.0000 168.9052 99 G 3.7937 8.8031 104.1007 43.9101 0.0000 173.5299 100 A 4.0450 8.6707 121.3273 55.3955 18.7717 178.8167 101 E 4.2788 7.8186 116.6708 54.3572 28.1751 175.4119 102 A 4.4121 7.7135 122.0867 52.6460 19.6132 177.8817 103 R 5.3078 9.4107 119.6999 54.8939 35.6765 174.2499 104 I 4.9327 8.9869 121.4740 59.8884 40.3130 174.2687 105 N 5.4345 9.3090 125.9166 51.9559 40.5225 174.5216 106 T 5.3125 9.2341 113.1948 60.1758 73.0970 172.6710 107 Q 5.2467 9.2322 121.8239 53.9496 31.9420 174.7595 108 W 5.3345 8.5371 118.8865 54.6058 32.2780 173.8679 109 L 5.1539 8.7683 120.7022 52.9346 44.6235 175.1982 110 L 5.0107 9.1898 126.4717 53.8141 44.2581 174.8412 111 T 5.0674 8.8288 124.0816 62.0062 70.8633 173.8724 112 S 5.1209 8.6559 122.5373 56.3892 65.0674 174.4852 113 G 3.9032 8.7992 112.5027 46.6652 0.0000 173.0464 114 T 4.8471 8.3383 113.7227 59.5469 72.3940 173.4625 115 T 4.4118 8.1225 112.0902 61.1878 69.7405 175.3683 116 E 3.9529 8.7436 121.3955 59.3821 29.7267 179.5355 117 A 4.0215 7.4593 121.4097 54.4764 18.6766 177.7876 118 N 4.9225 8.0652 110.5814 52.8443 39.7232 176.2343 119 A 4.3143 8.1773 123.2590 54.4398 18.5916 180.3605 120 A 4.0047 8.0515 118.0026 54.5218 18.5522 178.0079 121 K 4.5418 7.8596 114.1415 56.8619 32.9794 177.6939 122 S 4.3678 8.1406 115.8516 60.3243 63.6037 173.3753 123 T 5.0972 7.6109 117.1857 61.8200 71.0783 173.4360 124 L 4.6966 9.0030 127.4492 53.6520 43.7055 176.2702 125 V 4.3729 7.8837 120.7762 60.3916 34.5083 175.3274 126 G 3.0971 6.7421 107.8258 45.7692 0.0000 171.2858 127 H 5.4356 7.9806 113.8363 54.2612 31.8967 172.6430 128 D 5.0379 9.3739 118.7230 53.1464 45.7293 174.3895 129 T 5.1527 8.5095 118.0009 61.9136 71.7974 172.7740 130 F 5.5330 9.5611 125.6292 56.1168 41.8046 174.9585 131 T 5.4602 9.4070 112.4566 59.9605 72.0817 174.8992 132 K 3.6687 8.7470 120.1455 57.7628 32.6316 177.8658 133 V 3.9762 7.2195 117.2960 61.4421 32.4586 175.1228 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 16 G 8.25 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 3.82 1.40 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.24 0.57 0.00 0.00 18 T 7.85 3.94 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 1.16 0.00 0.00 19 G 7.52 3.45 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 0.00 0.00 0.00 20 T 7.57 4.65 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 0.62 0.00 0.00 21 W 8.57 4.74 0.00 1.78 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 22 Y 9.68 5.47 0.00 2.87 2.84 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 23 N 8.87 5.29 0.00 2.52 2.41 0.00 0.00 6.97 6.86 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 24 Q 8.77 4.24 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.50 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 25 L 8.19 4.57 0.00 1.70 1.72 1.00 1.03 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 26 G 8.56 4.20 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 0.00 27 S 7.87 4.44 0.00 4.29 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 28 T 8.91 5.17 4.17 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 0.91 0.00 0.00 29 F 8.75 5.09 0.00 2.60 2.42 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 0.00 30 I 8.54 4.61 1.78 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 1.03 0.58 0.84 0.00 0.00 31 V 8.90 4.86 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 0.64 0.00 0.00 0.81 0.00 0.00 32 T 9.17 4.70 4.20 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 1.17 0.00 0.00 33 A 8.48 4.84 0.68 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 0.00 0.00 34 G 9.50 3.85 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 0.00 0.00 0.00 35 A 8.42 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 36 D 8.03 4.42 0.00 2.63 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 37 G 8.50 3.38 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 0.00 38 A 7.78 4.82 1.29 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 39 L 8.93 5.30 0.00 1.77 1.56 0.73 0.95 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 40 T 8.73 4.99 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 1.22 0.00 0.00 41 G 7.47 4.40 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 0.00 42 T 7.64 5.16 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 1.22 0.00 0.00 43 Y 9.30 5.04 0.00 2.92 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 44 E 9.18 5.74 0.00 2.13 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 2.21 2.13 0.00 *49 N 8.47 4.60 0.00 3.04 3.02 0.00 0.00 5.83 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 50 A 8.60 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.88 4.03 0.00 2.07 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 2.21 2.20 0.00 52 S 8.41 4.82 0.00 3.95 4.04 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 53 R 7.52 4.95 0.00 1.84 1.77 0.00 3.22 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 Y 9.04 4.94 0.00 2.89 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 55 V 8.54 4.47 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.80 5.15 0.00 1.86 1.65 0.63 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.49 4.71 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 1.24 0.00 0.00 58 G 8.43 4.54 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 0.00 0.00 0.00 59 R 8.49 5.62 0.00 1.73 1.78 0.00 3.28 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 60 Y 8.89 5.30 0.00 3.05 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 61 D 9.26 4.24 0.00 2.69 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 62 S 8.21 4.44 0.00 3.91 3.44 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 63 A 8.47 4.65 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 64 P 0.00 4.93 0.00 2.28 2.18 0.00 3.44 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.31 4.26 1.29 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 66 T 8.25 4.59 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 1.25 0.00 0.00 67 D 8.05 4.56 0.00 2.78 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 68 G 7.89 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 0.00 0.00 0.00 69 S 8.93 4.24 0.00 3.89 3.85 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 70 G 8.32 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.91 4.81 4.58 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 1.48 0.00 0.00 72 A 8.71 4.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.96 0.00 2.07 1.99 1.21 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.35 4.66 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 0.00 0.00 0.00 75 W 8.57 5.80 0.00 3.45 3.20 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 76 T 9.41 5.26 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 1.18 0.00 0.00 77 V 8.95 4.58 1.60 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 -0.86 0.00 0.00 0.77 0.00 0.00 78 A 8.29 4.53 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 79 W 8.50 4.16 0.00 3.30 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 80 K 7.73 5.27 0.00 1.89 1.70 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.50 7.81 81 N 9.00 5.02 0.00 2.85 2.76 0.00 0.00 6.78 7.54 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 82 N 8.50 4.20 0.00 1.44 2.37 0.00 0.00 6.59 7.46 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 83 Y 8.28 4.71 0.00 3.01 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 84 R 7.72 4.75 0.00 2.14 1.95 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 85 N 8.57 5.18 0.00 2.63 2.60 0.00 0.00 6.93 7.96 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 86 A 9.36 4.35 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 87 H 8.55 4.16 0.00 3.39 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.36 5.21 0.00 4.02 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 89 A 9.09 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 9.06 4.91 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 -0.63 0.00 0.00 91 T 8.57 4.93 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 1.15 0.00 0.00 92 W 8.62 4.91 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.93 4.90 0.00 3.79 3.67 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 94 G 8.54 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 95 Q 8.76 5.29 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.06 4.77 0.00 3.03 2.92 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 0.00 0.00 0.00 97 V 8.80 3.95 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 0.88 0.00 0.00 0.91 0.00 0.00 98 G 7.72 3.67 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 0.00 0.00 0.00 99 G 8.80 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 0.00 100 A 8.67 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.82 4.28 0.00 1.95 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 2.32 2.44 0.00 102 A 7.71 4.41 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.41 5.31 0.00 1.77 1.90 0.00 3.15 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 104 I 8.99 4.93 1.93 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.09 1.18 0.00 0.00 105 N 9.31 5.43 0.00 2.71 2.82 0.00 0.00 6.06 7.90 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 0.00 106 T 9.23 5.31 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 107 Q 9.23 5.25 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 108 W 8.54 5.33 0.00 2.58 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 0.00 0.00 0.00 0.00 109 L 8.77 5.15 0.00 1.51 1.54 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.19 5.01 0.00 1.63 1.71 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.83 5.07 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 0.00 112 S 8.66 5.12 0.00 3.75 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 0.00 113 G 8.80 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 0.00 114 T 8.34 4.85 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 1.29 0.00 0.00 115 T 8.12 4.41 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 0.00 116 E 8.74 3.95 0.00 2.09 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 0.00 2.40 2.37 0.00 117 A 7.46 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.07 4.92 0.00 2.74 2.78 0.00 0.00 6.79 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 0.00 119 A 8.18 4.31 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 0.00 120 A 8.05 4.00 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 0.00 121 K 7.86 4.54 0.00 1.88 1.89 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.35 7.81 122 S 8.14 4.37 0.00 4.17 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 0.00 123 T 7.61 5.10 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 1.20 0.00 0.00 124 L 9.00 4.70 0.00 1.81 1.73 0.98 0.90 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 0.00 125 V 7.88 4.37 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 0.52 0.00 0.00 0.66 0.00 0.00 126 G 6.74 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 0.00 0.00 0.00 127 H 7.98 5.44 0.00 3.18 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.37 5.04 0.00 3.13 2.47 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 0.00 129 T 8.51 5.15 4.31 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 1.37 0.00 0.00 130 F 9.56 5.53 0.00 3.14 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.41 5.46 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 132 K 8.75 3.67 0.00 1.56 1.60 0.00 1.25 0.00 0.00 1.12 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.63 7.81 133 V 7.22 3.98 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 0.60 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.