NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3130 8.2649 123.5819 50.8812 19.9430 176.5202 2 P 4.3440 0.0000 0.0000 62.9048 31.7026 175.0766 3 Q 4.5330 8.6481 118.9820 56.1164 31.1150 175.3709 4 N 4.9157 7.5827 114.8520 50.4006 41.3527 174.6432 5 I 3.6320 8.3782 120.3067 64.7574 37.6780 177.9834 6 T 3.8557 7.8576 115.8805 66.5893 68.2225 176.4716 7 E 3.9580 8.5950 119.7102 59.2779 29.8228 178.9063 8 L 4.1286 7.9740 120.3172 58.4057 42.0693 178.2225 9 C 4.3059 8.5222 118.6576 59.6729 43.3065 175.2558 10 S 4.0856 7.6619 115.0848 60.1179 62.6376 175.2657 11 E 4.0894 7.9156 120.0085 56.2604 29.7901 175.7640 12 Y 4.8172 6.9204 116.5764 56.1139 41.1245 175.2880 13 H 4.6090 8.8375 119.6016 56.7612 29.8593 174.6236 14 N 4.4039 8.9981 116.8922 55.0027 35.8577 173.8274 15 T 5.3323 7.9773 106.0258 60.2227 72.1578 172.6667 16 Q 4.5983 8.7455 119.0755 55.1285 32.6507 173.1715 17 I 4.7277 8.1049 121.0863 60.5484 38.6104 174.7582 18 Y 4.3611 9.0175 125.7610 56.9717 39.6308 174.7990 19 T 4.5706 8.5334 121.6406 62.9649 68.9932 173.9534 20 I 3.9186 8.8706 127.5208 61.8368 38.8080 176.7083 21 N 4.1324 7.8204 117.3868 53.1763 36.0640 172.4695 22 D 4.6987 7.7566 116.1190 52.9521 45.1953 174.5899 23 K 4.9223 8.3746 122.0728 55.6004 33.5838 176.8461 24 I 3.2685 8.1957 121.5472 61.4283 37.6001 176.0667 25 L 4.4229 8.4364 128.6699 57.5958 42.6853 176.9249 26 S 4.6872 7.7028 112.1461 56.6630 67.0325 172.3712 27 Y 4.8534 7.8579 121.0677 56.1609 41.3695 174.3929 28 T 4.4385 8.0623 122.6834 61.5476 72.3399 172.5924 29 E 4.8647 8.5226 125.9588 54.3530 32.8417 174.3591 30 S 4.7963 9.2015 121.1407 56.3282 65.7624 173.9875 31 L 4.6472 8.5354 124.5624 55.3996 41.0680 177.1495 32 A 4.1536 8.2274 123.8308 55.1528 19.0207 177.5354 33 G 3.9220 7.6305 106.3928 45.2748 0.0000 173.2095 34 K 3.8391 9.1949 122.8421 58.5530 31.6753 175.3904 35 R 3.9584 8.1087 116.4107 57.6453 29.9255 178.3393 36 E 4.1004 7.9324 115.2682 56.4714 27.5263 174.9851 37 M 4.4426 7.4429 117.0249 54.9631 33.9996 176.3696 38 A 4.9802 8.0999 122.1410 50.2464 22.0174 175.1840 39 I 5.0707 8.6240 123.8352 59.3633 40.8245 174.8742 40 I 5.0562 8.8481 119.6110 59.2602 41.1504 174.2566 41 T 5.1972 8.1859 112.3448 60.0821 72.7455 172.2404 42 F 5.3427 8.7344 119.1843 55.3353 43.1038 176.6870 43 K 4.1470 9.1114 119.5791 59.3426 32.6859 177.9689 44 N 4.3967 8.2097 116.2394 54.3145 37.3084 175.7507 45 G 3.9111 8.2125 107.4400 44.6980 0.0000 173.5666 46 A 3.8863 8.5275 122.5886 52.1032 19.5949 177.0269 47 T 4.8262 7.4900 116.7325 61.7467 71.9329 173.4425 48 F 5.3665 9.2248 124.0266 55.7543 43.8622 173.6698 49 Q 5.1561 9.2085 118.0745 54.5416 31.4853 174.0626 50 V 4.6301 8.4155 120.1936 61.3164 33.3674 175.1157 51 E 4.4260 8.9756 129.8804 55.9819 30.5248 177.6116 52 V 3.8926 8.0517 119.0003 60.1116 32.8203 176.7176 53 P 4.5188 0.0000 0.0000 63.3100 32.5040 176.6649 *61 Q 4.3997 8.8081 114.8601 56.0584 30.7254 174.5012 62 K 4.0381 8.1479 122.7582 59.9180 31.6671 181.3404 63 K 4.1954 8.0667 119.3266 59.1542 31.9206 179.2564 64 A 4.0894 7.8605 120.6328 55.0847 18.4142 179.6599 65 I 3.7030 7.9518 118.4169 64.5888 37.2165 178.5125 66 E 3.9971 8.1942 119.5035 59.2781 29.2822 179.3437 67 R 3.8758 8.4445 119.2034 59.6432 30.1411 178.0342 68 M 4.0313 8.3039 118.1870 58.8533 32.2967 178.3467 69 K 4.0826 8.0813 118.2878 59.4782 32.2020 179.0478 70 D 4.3766 8.1336 119.1699 57.7305 40.7021 178.8566 71 T 3.8909 8.3822 116.4874 66.8558 68.4499 176.6852 72 L 4.0675 8.2087 120.8184 57.5757 41.5567 179.6229 73 R 3.1507 7.9158 118.4867 59.2485 30.0620 178.4932 74 I 3.6114 7.7892 118.2738 63.7371 37.9608 177.4388 75 A 3.9885 8.2375 122.0532 55.4160 18.1993 178.8822 76 Y 3.9726 8.0782 117.7507 61.0615 38.7084 178.5355 77 L 3.8100 7.9722 118.4622 56.8910 41.7717 178.5002 78 T 4.2455 7.6716 107.1793 60.3031 69.6655 174.1138 79 E 3.6219 7.6537 119.4964 57.3759 27.6663 174.6579 80 A 4.2088 7.8816 119.9576 51.6007 18.9458 177.9979 81 K 4.2290 8.6366 123.8141 56.2796 33.8867 175.8093 82 V 3.8845 8.9210 128.9063 62.7317 32.4160 175.3165 83 E 4.4400 9.3123 131.0385 57.0562 29.7738 175.7133 84 K 5.1095 8.5699 116.9398 54.4817 37.3304 174.6580 85 L 4.9980 8.8278 122.0578 53.0716 45.3471 174.7477 86 C 4.9473 8.7775 124.4184 55.6311 45.7138 172.7151 87 V 4.9069 8.4405 118.9585 59.1828 36.0329 174.7951 88 W 5.1061 9.4447 124.5149 56.3627 30.0715 176.4361 89 N 5.1764 9.7925 122.2596 51.6631 37.6919 174.9756 90 N 5.0148 8.1797 115.5628 52.6779 38.0401 174.6351 91 K 4.6831 7.8233 116.4661 55.8393 36.2594 175.3081 92 T 4.6097 8.2476 118.0304 60.9916 70.8492 172.5006 93 P 4.5205 0.0000 0.0000 62.0553 32.1144 176.0912 94 N 4.9181 8.7705 118.4768 53.5677 40.0545 173.6495 95 S 5.2383 8.8124 116.5360 56.7174 64.6516 173.1602 96 I 4.1615 8.7264 128.8067 61.5851 36.7239 175.5496 97 A 4.2981 8.7000 129.3585 53.2970 20.2250 176.7417 98 A 4.5926 7.2519 114.3134 50.8621 22.8679 175.1840 99 I 5.1060 8.1706 118.7183 59.1754 41.4929 174.5535 100 S 4.9130 8.9493 121.8809 56.7923 66.2567 172.6646 101 M 5.1112 8.6115 120.1236 53.5998 35.4462 175.3790 102 A 4.1917 8.0827 122.1151 52.5177 19.5734 175.7195 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 1 A 8.26 4.31 1.27 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 2 P 0.00 4.34 0.00 2.14 2.10 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 3 Q 8.65 4.53 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 4 N 7.58 4.92 0.00 2.92 2.86 0.00 0.00 5.86 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 5 I 8.38 3.63 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.87 0.00 0.00 6 T 7.86 3.86 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 1.18 0.00 0.00 7 E 8.59 3.96 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 2.33 2.52 0.00 8 L 7.97 4.13 0.00 1.83 1.84 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.52 4.31 0.00 3.17 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 10 S 7.66 4.09 0.00 4.01 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 11 E 7.92 4.09 0.00 1.88 1.43 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 2.19 2.39 0.00 12 Y 6.92 4.82 0.00 2.86 3.04 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 13 H 8.84 4.61 0.00 3.28 3.32 0.00 6.04 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.00 4.40 0.00 3.22 3.09 0.00 0.00 6.47 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 15 T 7.98 5.33 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 0.90 0.00 0.00 16 Q 8.75 4.60 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 17 I 8.10 4.73 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.85 0.00 0.00 18 Y 9.02 4.36 0.00 2.89 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 19 T 8.53 4.57 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 1.18 0.00 0.00 20 I 8.87 3.92 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.20 -0.00 0.00 0.00 21 N 7.82 4.13 0.00 2.80 2.78 0.00 0.00 6.50 8.08 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 22 D 7.76 4.70 0.00 2.91 2.57 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 23 K 8.37 4.92 0.00 1.94 1.84 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 24 I 8.20 3.27 2.02 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 0.91 0.60 0.91 0.00 0.00 25 L 8.44 4.42 0.00 1.69 1.82 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.70 4.69 0.00 3.91 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 27 Y 7.86 4.85 0.00 2.34 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 0.00 0.00 0.00 28 T 8.06 4.44 4.01 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 1.07 0.00 0.00 29 E 8.52 4.86 0.00 1.67 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 2.17 2.29 0.00 30 S 9.20 4.80 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.65 0.00 1.74 1.72 0.92 0.49 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 32 A 8.23 4.15 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 33 G 7.63 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 34 K 9.19 3.84 0.00 1.78 1.77 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 35 R 8.11 3.96 0.00 1.82 1.88 0.00 3.34 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 36 E 7.93 4.10 0.00 2.02 2.05 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 2.27 2.36 0.00 37 M 7.44 4.44 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 38 A 8.10 4.98 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 39 I 8.62 5.07 1.72 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 1.22 0.60 0.82 0.00 0.00 40 I 8.85 5.06 1.69 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 1.39 1.20 0.96 0.00 0.00 41 T 8.19 5.20 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 1.12 0.00 0.00 42 F 8.73 5.34 0.00 3.24 2.94 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 43 K 9.11 4.15 0.00 1.92 2.02 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.49 7.81 44 N 8.21 4.40 0.00 2.90 3.04 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.21 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 46 A 8.53 3.89 1.03 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 47 T 7.49 4.83 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 1.10 0.00 0.00 48 F 9.22 5.37 0.00 2.98 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 49 Q 9.21 5.16 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 50 V 8.42 4.63 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 1.00 0.00 0.00 0.98 0.00 0.00 51 E 8.98 4.43 0.00 1.99 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 2.43 2.34 0.00 52 V 8.05 3.89 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 0.77 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.52 0.00 2.17 2.07 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 1.98 1.96 0.00 *61 Q 8.81 4.40 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 62 K 8.15 4.04 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.11 7.81 63 K 8.07 4.20 0.00 1.77 1.90 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.46 7.81 64 A 7.86 4.09 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 65 I 7.95 3.70 2.03 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 1.57 1.06 0.98 0.00 0.00 66 E 8.19 4.00 0.00 2.15 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 0.00 2.56 2.47 0.00 67 R 8.44 3.88 0.00 1.85 2.17 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.30 4.03 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 8.08 4.08 0.00 2.08 1.94 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.64 7.81 70 D 8.13 4.38 0.00 2.95 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 71 T 8.38 3.89 4.42 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 1.23 0.00 0.00 72 L 8.21 4.07 0.00 1.88 1.90 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.92 3.15 0.00 1.61 1.92 0.00 2.99 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.00 74 I 7.79 3.61 1.84 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 1.44 1.04 1.00 0.00 0.00 75 A 8.24 3.99 1.45 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 76 Y 8.08 3.97 0.00 3.09 3.04 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 77 L 7.97 3.81 0.00 1.58 1.64 0.87 0.89 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 78 T 7.67 4.25 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 1.22 0.00 0.00 79 E 7.65 3.62 0.00 2.05 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 2.08 2.06 0.00 80 A 7.88 4.21 1.25 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 81 K 8.64 4.23 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 82 V 8.92 3.88 2.37 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 0.88 0.00 0.00 1.20 0.00 0.00 83 E 9.31 4.44 0.00 2.08 1.92 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 2.27 2.24 0.00 84 K 8.57 5.11 0.00 1.68 1.56 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.35 7.81 85 L 8.83 5.00 0.00 1.12 1.08 0.45 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.78 4.95 0.00 2.86 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 87 V 8.44 4.91 2.23 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 0.39 0.00 0.00 1.29 0.00 0.00 88 W 9.44 5.11 0.00 3.42 3.24 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 89 N 9.79 5.18 0.00 2.78 3.16 0.00 0.00 6.87 7.99 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 90 N 8.18 5.01 0.00 2.88 3.01 0.00 0.00 5.92 7.13 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 91 K 7.82 4.68 0.00 1.84 1.71 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.42 7.81 92 T 8.25 4.61 4.25 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 1.20 0.00 0.00 93 P 0.00 4.52 0.00 1.94 2.01 0.00 3.70 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 2.00 2.07 0.00 94 N 8.77 4.92 0.00 2.99 3.13 0.00 0.00 7.13 7.57 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 95 S 8.81 5.24 0.00 4.09 4.08 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 96 I 8.73 4.16 1.90 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 0.95 0.81 0.87 0.00 0.00 97 A 8.70 4.30 -0.08 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 0.00 0.00 98 A 7.25 4.59 1.08 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 0.00 0.00 99 I 8.17 5.11 1.85 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 1.41 1.12 0.91 0.00 0.00 100 S 8.95 4.91 0.00 3.87 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 0.00 101 M 8.61 5.11 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 102 A 8.08 4.19 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 * Residues marked with a * may have inaccurate shift predictions.