NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 N 4.6544 8.4201 118.1252 52.4868 41.0194 174.2278 1 A 4.2601 7.7137 121.4057 51.3859 20.0255 174.9481 2 K 4.9518 10.3316 121.5163 54.6216 35.6084 173.9324 3 L 5.3053 8.9373 124.5017 52.9288 45.6338 175.4808 4 L 5.3630 8.4448 118.9470 53.3029 46.2371 175.4838 5 A 5.1382 8.8798 121.3358 50.7905 23.3078 175.1145 6 I 5.7377 9.0013 120.0436 58.6769 40.8803 174.9002 7 T 5.4481 8.2748 115.3336 59.3655 72.1728 172.9423 8 S 4.9397 8.1818 116.7314 58.2878 65.7848 172.3879 9 C 5.1753 8.8613 127.5112 56.8713 34.0328 173.0310 10 P 3.9709 0.0000 0.0000 64.5278 31.2929 175.6783 11 N 4.6459 7.5500 117.2661 52.1318 39.4813 175.7229 12 G 3.7761 8.5734 114.8514 46.0161 0.0000 172.0810 13 I 4.1413 7.8701 114.4604 60.7597 40.1769 178.3095 14 A 3.9780 8.1097 122.3058 55.5446 18.4465 178.2708 15 H 4.2789 8.2208 111.4786 59.3383 29.4674 177.0005 16 T 4.0711 8.0745 115.6537 67.1300 68.4531 176.5195 17 Y 4.7493 7.9169 117.8321 58.4733 37.5913 177.9275 *19 A 4.2057 8.2527 123.9231 52.2852 20.7829 179.8255 20 A 4.0064 7.9353 117.0977 55.4027 18.3300 179.7795 21 E 3.9266 8.4580 117.2436 59.6318 29.5631 179.3430 22 N 4.4028 8.0545 116.0514 56.0332 38.7654 177.3886 23 L 4.0012 8.1722 120.7354 57.7093 41.6437 179.3610 24 Q 3.9351 8.1279 119.4971 59.2098 29.0584 178.4433 25 K 3.9591 8.2655 119.3863 59.3015 32.0579 179.2540 26 A 3.9757 8.1882 120.9408 54.9255 18.2794 179.5171 27 A 3.9202 8.1214 119.2738 55.4605 18.6134 179.4667 28 D 4.3182 8.2049 117.4208 57.7826 40.6977 179.3981 29 R 3.9595 7.9034 117.1422 58.9468 30.1832 178.3148 30 L 4.3773 7.8448 115.9266 53.9594 42.1003 176.8504 31 G 3.8646 7.7910 106.7617 46.7246 0.0000 173.6145 32 V 4.4654 7.9620 118.7665 60.6858 33.9612 175.2333 33 S 4.5940 8.5194 122.8335 58.3593 64.1585 173.0963 34 I 5.5346 8.0234 122.1949 59.5259 41.2809 173.5451 35 K 4.6338 8.6488 128.0254 54.5036 35.5520 174.5808 36 V 4.7805 8.3939 126.4708 61.0998 33.7499 174.0679 37 E 4.8469 9.5122 130.3682 54.9477 31.0372 175.0049 38 T 5.1040 8.7316 116.9179 60.4466 71.4600 173.5853 39 Q 4.6570 9.2428 122.8636 53.9359 30.5156 174.6763 40 G 3.8772 8.7922 111.9781 43.6402 0.0000 171.7086 41 G 3.9233 8.8333 108.1595 48.8483 0.0000 175.2352 42 I 3.7301 7.5498 118.9662 62.4866 37.6283 175.2849 43 G 3.8771 7.2567 106.1838 43.2926 0.0000 172.4329 44 V 4.3840 8.0074 119.9783 62.4644 32.3865 175.5088 45 E 4.7075 8.7554 125.6669 55.2961 33.2151 174.7808 46 N 4.3994 8.7207 116.1286 54.1930 37.3523 174.2891 47 K 4.2629 7.9901 117.3177 56.2259 33.1447 176.0257 48 L 4.3378 9.0213 127.0750 55.1001 42.4053 177.5535 49 T 4.4636 8.8679 113.4318 60.4420 71.7876 175.5534 50 E 3.9185 8.6993 122.4216 59.8478 29.4884 179.2145 51 E 3.9920 8.0792 117.8071 59.4666 29.7862 178.9248 52 E 4.0079 8.2390 118.6405 59.5246 29.2781 179.5755 53 I 3.8396 7.7282 118.9447 64.2536 37.2424 178.0633 54 R 4.0639 7.9146 118.6664 59.5948 30.0374 178.1350 55 E 4.1304 8.1187 116.3574 57.3864 29.9931 177.3775 56 A 4.1564 7.2445 121.7752 52.3379 19.0256 177.2967 57 D 4.6431 9.0086 122.3213 57.3618 41.7830 176.4184 58 A 4.6705 7.6158 117.1699 51.1828 22.9275 175.0582 59 I 4.7741 8.5949 120.0972 59.4756 40.4513 174.9518 60 I 4.8002 8.6095 127.4221 59.4955 40.0100 174.4944 61 I 4.7359 8.9539 127.9258 59.4984 39.9239 174.5519 62 A 5.1404 9.0226 130.0851 50.2980 20.2767 174.5368 63 A 4.9615 9.1758 122.5274 51.3919 23.1131 175.8646 64 D 5.0267 9.0083 120.8262 53.8450 41.6982 176.3489 65 R 4.7065 7.6705 113.8833 53.9725 32.7278 174.7984 66 S 4.2136 8.5840 115.1172 58.5655 63.2941 174.0441 67 V 4.3512 8.0587 124.5311 60.5334 33.3278 174.6044 68 N 4.4647 8.7668 125.8525 53.8544 39.4037 174.4149 69 K 4.6468 8.5047 122.9691 56.2606 32.8554 177.6734 70 D 4.4542 8.6868 121.7140 57.3949 40.7282 178.1481 71 R 3.8302 7.4378 116.2748 57.8417 30.1813 177.0050 72 F 5.0907 7.8372 116.4315 56.9538 39.4682 175.1228 73 I 4.1864 7.8270 122.4505 63.1538 37.0653 176.5990 74 G 4.0166 9.3611 114.1311 45.1791 0.0000 173.1008 75 K 4.6820 8.1733 119.8108 54.4369 34.7797 176.0933 76 K 4.6844 8.5518 123.2497 56.5365 33.1234 175.7087 77 L 5.1168 8.5901 126.7536 53.1177 45.3676 175.0157 78 L 4.6452 8.9321 128.4909 53.3178 44.2906 174.7021 79 S 5.1189 8.7284 120.9189 56.8170 64.5882 172.8657 80 V 4.5773 9.0974 120.3352 59.2423 36.0777 175.5052 81 G 4.0929 8.5151 109.8872 44.1728 0.0000 175.1757 82 V 3.7131 8.9674 120.8053 64.8088 31.1730 178.7956 83 Q 4.0309 8.0325 118.2645 58.8595 28.5111 178.1673 84 D 4.5118 8.1602 119.6803 57.3245 40.6917 178.8509 85 G 3.6310 7.5705 104.0648 47.7239 0.0000 175.5471 86 I 3.9702 7.5256 121.1807 63.9747 37.4095 177.9493 87 R 4.3972 8.3472 117.4915 56.6321 31.6093 176.7969 88 K 4.7417 8.3357 118.4884 54.4721 33.0177 176.2366 89 P 4.2560 0.0000 0.0000 67.1049 31.3606 177.3328 90 E 3.9496 8.1377 117.7889 59.2505 29.3632 178.8217 91 E 3.9848 8.1169 118.7794 59.0834 29.6589 178.6933 92 L 3.9705 7.8513 118.8829 57.7966 41.6662 179.5567 93 I 3.7235 7.8798 119.7752 64.3369 36.9854 178.5279 94 Q 3.9656 8.4457 119.3776 58.8800 28.3466 178.7856 95 K 3.9102 8.1142 119.4220 59.3713 32.2204 178.3482 96 A 4.1083 8.3532 121.4649 54.8962 18.1308 179.0236 97 L 4.0475 7.7023 115.0594 56.0566 42.3104 178.2462 98 N 4.4509 8.3725 117.5376 54.7915 38.6583 176.2796 99 G 4.0659 7.6849 107.6921 45.9228 0.0000 174.0298 100 D 4.7626 7.2606 119.7105 53.7823 39.3982 176.5064 101 I 4.6641 7.0507 110.9433 58.3025 41.3098 173.9337 102 P 4.5351 0.0000 0.0000 62.4872 32.8235 175.2217 103 V 4.3852 8.1494 121.9647 62.3139 32.6789 175.2056 104 Y 4.3281 9.2588 128.4580 57.9403 38.8287 174.9878 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 0 N 8.42 4.65 0.00 2.73 2.93 0.00 0.00 6.91 6.46 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 1 A 7.71 4.26 1.26 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 0.00 0.00 0.00 2 K 10.33 4.95 0.00 1.65 1.69 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 3 L 8.94 5.31 0.00 1.52 1.48 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.44 5.36 0.00 1.52 1.48 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.88 5.14 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 6 I 9.00 5.74 1.86 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 0.99 1.21 0.95 0.00 0.00 7 T 8.27 5.45 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 1.22 0.00 0.00 8 S 8.18 4.94 0.00 3.90 3.70 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 9 C 8.86 5.18 0.00 3.01 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 10 P 0.00 3.97 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 11 N 7.55 4.65 0.00 2.49 2.78 0.00 0.00 6.94 7.53 0.00 0.00 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 G 8.57 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 13 I 7.87 4.14 1.63 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.33 0.68 0.00 0.00 14 A 8.11 3.98 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 15 H 8.22 4.28 0.00 3.11 3.39 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.07 4.07 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 1.30 0.00 0.00 17 Y 7.92 4.75 0.00 3.08 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 *19 A 8.25 4.21 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 20 A 7.94 4.01 1.42 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 0.00 0.00 21 E 8.46 3.93 0.00 2.08 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 0.00 2.29 2.46 0.00 22 N 8.05 4.40 0.00 2.82 2.86 0.00 0.00 7.14 6.74 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 23 L 8.17 4.00 0.00 1.75 1.70 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.13 3.94 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 25 K 8.27 3.96 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.67 7.81 26 A 8.19 3.98 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 27 A 8.12 3.92 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 28 D 8.20 4.32 0.00 2.84 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 29 R 7.90 3.96 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 30 L 7.84 4.38 0.00 1.69 1.70 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.79 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 0.00 0.00 0.00 32 V 7.96 4.47 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 0.85 0.00 0.00 0.92 0.00 0.00 33 S 8.52 4.59 0.00 3.98 3.75 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 34 I 8.02 5.53 1.86 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 1.19 0.87 0.92 0.00 0.00 35 K 8.65 4.63 0.00 1.83 1.59 0.00 1.71 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.39 7.81 36 V 8.39 4.78 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 0.85 0.00 0.00 0.97 0.00 0.00 37 E 9.51 4.85 0.00 2.25 1.84 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 2.32 2.28 0.00 38 T 8.73 5.10 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 1.35 0.00 0.00 39 Q 9.24 4.66 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 40 G 8.79 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 0.00 0.00 0.00 41 G 8.83 3.92 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 0.00 0.00 0.00 42 I 7.55 3.73 1.89 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 1.31 0.85 0.93 0.00 0.00 43 G 7.26 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 0.00 0.00 0.00 44 V 8.01 4.38 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 0.95 0.00 0.00 0.95 0.00 0.00 45 E 8.76 4.71 0.00 2.07 1.80 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 2.26 2.28 0.00 46 N 8.72 4.40 0.00 2.92 2.95 0.00 0.00 6.60 6.72 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 47 K 7.99 4.26 0.00 1.77 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 L 9.02 4.34 0.00 1.73 1.67 1.12 0.77 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 49 T 8.87 4.46 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 1.22 0.00 0.00 50 E 8.70 3.92 0.00 2.04 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 0.00 2.39 2.42 0.00 51 E 8.08 3.99 0.00 2.10 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 2.40 2.46 0.00 52 E 8.24 4.01 0.00 2.23 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 2.34 2.37 0.00 53 I 7.73 3.84 2.07 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 1.68 0.71 1.16 0.00 0.00 54 R 7.91 4.06 0.00 1.95 2.14 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 55 E 8.12 4.13 0.00 2.02 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 2.35 2.48 0.00 56 A 7.24 4.16 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 57 D 9.01 4.64 0.00 2.68 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 58 A 7.62 4.67 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 59 I 8.59 4.77 1.42 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 -0.00 0.00 0.00 60 I 8.61 4.80 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.86 0.00 0.00 61 I 8.95 4.74 1.79 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 0.99 0.62 0.88 0.00 0.00 62 A 9.02 5.14 1.22 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 0.00 0.00 63 A 9.18 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 9.01 5.03 0.00 2.51 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 65 R 7.67 4.71 0.00 1.84 1.84 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 66 S 8.58 4.21 0.00 3.89 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 67 V 8.06 4.35 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 0.90 0.00 0.00 0.99 0.00 0.00 68 N 8.77 4.46 0.00 2.73 2.70 0.00 0.00 6.97 6.68 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 69 K 8.50 4.65 0.00 1.43 0.97 0.00 1.02 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.60 7.81 70 D 8.69 4.45 0.00 2.65 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 71 R 7.44 3.83 0.00 0.67 1.40 0.00 2.93 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 72 F 7.84 5.09 0.00 3.02 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 I 7.83 4.19 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.79 0.95 0.00 0.00 74 G 9.36 4.02 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 0.00 0.00 0.00 75 K 8.17 4.68 0.00 1.92 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.75 7.81 76 K 8.55 4.68 0.00 1.72 1.75 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.46 7.81 77 L 8.59 5.12 0.00 1.57 1.51 0.52 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.93 4.65 0.00 1.72 1.44 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.73 5.12 0.00 3.84 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 80 V 9.10 4.58 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 0.67 0.00 0.00 0.97 0.00 0.00 81 G 8.52 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 82 V 8.97 3.71 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 0.91 0.00 0.00 0.99 0.00 0.00 83 Q 8.03 4.03 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 84 D 8.16 4.51 0.00 2.85 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 85 G 7.57 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 86 I 7.53 3.97 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.92 0.00 0.00 87 R 8.35 4.40 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 K 8.34 4.74 0.00 1.84 1.92 0.00 1.32 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.37 7.81 89 P 0.00 4.26 0.00 2.34 2.52 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 90 E 8.14 3.95 0.00 2.03 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 2.39 2.37 0.00 91 E 8.12 3.98 0.00 2.03 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 2.37 2.39 0.00 92 L 7.85 3.97 0.00 1.89 1.68 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.88 3.72 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.90 0.00 0.00 94 Q 8.45 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 95 K 8.11 3.91 0.00 1.84 2.00 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 96 A 8.35 4.11 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 97 L 7.70 4.05 0.00 1.64 1.72 0.91 1.09 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 98 N 8.37 4.45 0.00 2.83 2.94 0.00 0.00 7.08 7.98 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 99 G 7.68 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 0.00 100 D 7.26 4.76 0.00 2.73 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 0.00 101 I 7.05 4.66 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.96 0.00 0.00 102 P 0.00 4.54 0.00 2.14 2.02 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 103 V 8.15 4.39 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 0.79 0.00 0.00 0.96 0.00 0.00 104 Y 9.26 4.33 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.