NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2121 8.2033 121.9161 55.8459 30.8595 173.7837 3 F 5.3098 8.6542 123.7341 54.9331 42.2689 173.0005 4 S 4.7276 8.8825 119.2485 56.8534 66.2937 174.3484 5 T 4.4765 8.6162 116.2877 63.1724 69.3639 174.7837 6 T 4.3871 7.7954 114.1395 60.2722 69.9062 174.1040 7 P 4.3700 0.0000 0.0000 64.9038 31.9069 176.0070 8 T 4.6779 7.5914 107.1769 59.6984 72.0709 173.1239 9 L 4.6009 8.1073 121.3041 52.5932 43.1465 176.2250 10 E 4.2015 8.6526 123.5113 58.0590 30.0965 177.9726 11 G 4.0353 9.2882 110.1993 45.1585 0.0000 172.8931 12 L 5.1987 7.6149 117.7236 52.9363 45.6762 175.5316 13 T 4.7427 8.3479 109.5407 59.9339 72.0475 173.0679 14 I 4.3440 8.3314 124.6820 61.3210 37.4085 176.0734 15 V 4.2781 8.4993 119.7401 61.6381 33.2539 175.8004 16 E 4.7109 7.6960 120.9731 54.9163 33.2829 173.0083 17 Y 4.6667 8.7863 124.1437 56.7266 39.2132 175.0288 18 C 4.5548 9.3108 121.9027 59.4510 29.2365 174.3111 19 G 3.9457 8.3492 105.9634 44.2683 0.0000 173.0480 20 V 4.2461 8.0257 119.1957 62.8453 32.1163 175.5809 21 V 4.7770 8.9763 121.0304 59.8356 35.2969 174.6051 22 T 5.1265 8.3673 111.2049 60.2496 72.0441 173.0390 23 G 4.3572 8.9507 109.2127 44.8716 0.0000 170.9515 24 E 5.5829 9.4566 117.7537 55.2651 33.2050 173.9249 25 A 4.7305 8.2343 119.7233 50.6531 22.3025 175.5500 26 I 4.6615 8.3069 121.0374 59.4725 39.9160 175.0352 27 L 4.4912 8.6578 127.7017 53.2079 42.6434 177.3471 28 G 3.8080 8.7454 112.8111 44.7581 0.0000 173.9046 29 A 4.8383 8.8041 122.4957 54.3119 18.1086 179.8418 30 N 4.3637 8.1780 115.5299 56.2574 37.4729 177.3438 31 I 4.0470 7.8881 121.8880 64.1120 37.3303 177.9278 32 F 3.8662 8.2724 121.3290 61.2058 38.9752 177.0321 33 R 3.9943 8.4954 117.4932 59.6937 29.9802 177.9928 34 D 4.2350 8.1655 117.3081 56.6388 40.9100 177.8468 35 F 4.8037 8.3796 114.9623 57.1462 40.9509 176.7623 36 F 4.3036 7.9827 116.0379 58.7289 39.9441 177.5911 37 A 3.9954 7.8347 120.4572 55.1320 18.2898 178.4689 38 G 3.8747 7.9383 101.4822 45.8137 0.0000 173.6738 39 I 3.7407 7.3502 122.1162 61.3274 37.4321 175.6753 40 R 4.6518 8.2838 121.0715 55.1016 32.4182 177.2754 41 D 4.1146 8.3918 118.1425 55.3793 39.5739 172.5272 42 I 4.3259 8.2752 122.4437 60.5122 38.7479 175.0322 43 V 4.2486 8.3323 124.6906 60.9170 33.2671 175.3342 44 G 4.0362 8.4959 116.5722 44.0874 0.0000 173.9958 45 G 3.4693 8.6033 108.0322 48.5366 0.0000 175.3413 46 R 3.9883 8.0314 117.9487 59.4941 30.2307 178.1904 47 S 4.2249 7.9651 112.1074 60.9039 63.0853 175.4507 48 G 3.6137 7.5247 108.9901 44.4279 0.0000 174.4908 49 A 3.9996 8.5333 125.5028 54.9667 18.9224 179.5504 50 Y 3.5424 7.7124 113.6083 59.7335 38.2340 178.2551 51 E 3.6223 6.8504 120.0412 58.7452 29.5171 178.2885 52 K 3.7204 7.2510 119.4366 59.7038 31.9778 178.5591 53 E 3.8591 7.8577 118.3362 59.3596 29.5270 178.7534 54 L 4.1731 8.2376 118.5603 58.2340 41.7406 179.2878 55 R 3.9352 8.0772 118.0580 59.6853 29.9967 178.4206 56 K 3.9632 8.1393 118.9190 59.3072 32.1539 178.6664 57 A 4.0061 8.4536 121.5149 55.1044 18.2607 179.6521 58 R 3.8837 8.5083 116.9930 59.6194 30.1682 179.0028 59 E 4.0688 8.3538 118.0994 59.6453 29.5145 179.5366 60 I 3.6998 7.7893 119.3647 64.3394 37.1948 178.3196 61 A 3.8949 7.9840 121.4740 55.2618 18.2138 179.7415 62 F 3.7479 8.3882 116.6524 60.3012 38.8579 177.4381 63 E 3.9918 8.6275 119.4639 59.4328 29.4770 178.5537 64 E 3.9672 8.2616 119.2299 59.2428 29.6717 178.5583 65 L 4.2528 8.1532 120.5958 57.9028 42.0357 179.2082 66 G 3.8949 8.9641 106.4615 47.8729 0.0000 175.8044 67 S 4.1739 8.5908 117.6051 61.2383 62.7145 176.4660 68 Q 3.9757 7.9629 120.4559 58.5422 28.8106 178.6037 69 A 4.1428 8.0477 121.5280 55.2358 18.5243 179.6190 70 R 3.7986 8.3330 117.3053 59.6145 29.9563 178.4118 71 A 4.0469 8.1107 119.6145 55.0366 18.3954 178.7502 72 L 4.3048 7.7631 114.8670 55.0578 42.0187 177.9260 73 G 3.8394 8.0005 107.3301 45.2323 0.0000 173.6788 74 A 4.3498 7.5505 121.6662 51.5930 19.3886 177.3545 75 D 4.9850 8.6098 117.3880 52.9624 40.6583 175.5186 76 A 4.7457 7.6408 120.0977 50.6240 23.4630 175.1270 77 V 4.7474 8.8387 119.4709 61.3729 34.3861 175.1694 78 V 4.7718 8.6180 120.7361 59.2201 35.5838 175.4343 79 G 4.1000 8.5937 107.7107 46.8690 0.0000 173.8717 80 I 4.5656 7.8052 118.8488 60.8099 38.5375 176.4255 81 D 4.9074 9.2620 125.2345 52.5195 44.7027 174.0018 82 I 4.7592 8.4443 125.5132 59.6064 39.4726 174.5845 83 D 5.0655 9.1881 126.3028 52.5616 44.7379 174.4159 84 Y 5.0293 8.5977 118.0125 56.3073 40.7696 174.9813 85 E 4.8118 8.7657 122.8474 54.6314 32.9196 175.5812 86 T 4.1404 8.6144 115.0783 61.2251 69.9447 174.1895 87 V 4.3426 7.7590 116.4759 60.3075 36.0085 175.9964 88 G 4.0351 8.5170 104.9735 45.4881 0.0000 174.5876 89 Q 3.8783 8.6083 117.8614 59.2200 28.5799 178.3181 90 N 4.5953 8.1549 111.0908 52.3444 38.6046 175.0835 91 G 3.8811 7.6975 105.8418 46.7764 0.0000 174.8946 92 S 3.2898 7.3098 111.4848 56.1282 62.8206 172.1499 *94 L 4.3585 7.1489 122.9971 54.7595 44.5805 175.1323 *96 V 4.0422 8.0508 116.8485 63.0886 32.9444 175.0850 97 S 5.1953 8.8348 124.4128 56.5152 65.9710 173.5350 98 V 4.8627 9.0456 124.5245 59.8849 34.3167 174.7568 99 S 5.0316 8.7348 116.3921 57.5017 67.0552 173.1502 100 G 4.1751 8.4608 106.8015 46.2923 0.0000 171.4886 101 T 5.1714 8.6840 116.8062 61.4312 70.9811 174.3316 102 A 4.7574 8.9540 129.6340 52.1278 19.7051 176.6487 103 V 4.7329 8.8053 114.4002 59.6831 36.8822 174.2482 104 K 4.9145 8.6219 122.8958 55.3023 33.7666 175.8798 105 T 4.9857 8.7546 114.8995 59.9530 71.6492 173.7346 106 R 4.5881 8.6386 122.6730 54.2217 33.4511 174.3989 107 R 4.2637 8.7782 126.5226 56.7833 30.1486 176.4388 108 N 4.4816 8.9012 122.8444 55.3305 38.9717 175.4521 109 I 4.0654 7.6174 122.7645 61.2677 37.5692 175.2150 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 Q 8.20 4.21 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 3 F 8.65 5.31 0.00 3.03 2.85 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 4 S 8.88 4.73 0.00 3.84 3.68 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 5 T 8.62 4.48 4.29 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 1.32 0.00 0.00 6 T 7.80 4.39 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 1.24 0.00 0.00 7 P 0.00 4.37 0.00 2.26 2.27 0.00 3.74 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 2.02 1.98 0.00 8 T 7.59 4.68 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 1.27 0.00 0.00 9 L 8.11 4.60 0.00 1.67 1.60 0.89 0.86 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 10 E 8.65 4.20 0.00 1.96 1.91 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 2.33 2.34 0.00 11 G 9.29 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 0.00 0.00 0.00 12 L 7.61 5.20 0.00 1.70 1.51 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.35 4.74 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 1.21 0.00 0.00 14 I 8.33 4.34 1.68 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 1.07 0.42 -0.03 0.00 0.00 15 V 8.50 4.28 2.06 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 0.62 0.00 0.00 0.94 0.00 0.00 16 E 7.70 4.71 0.00 1.95 1.68 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 2.30 2.36 0.00 17 Y 8.79 4.67 0.00 2.89 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 18 C 9.31 4.55 0.00 2.88 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 19 G 8.35 3.95 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 0.00 0.00 0.00 20 V 8.03 4.25 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 0.85 0.00 0.00 0.95 0.00 0.00 21 V 8.98 4.78 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 0.78 0.00 0.00 1.04 0.00 0.00 22 T 8.37 5.13 4.18 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 1.18 0.00 0.00 23 G 8.95 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 0.00 0.00 0.00 0.00 24 E 9.46 5.58 0.00 2.00 1.82 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 2.16 2.21 0.00 25 A 8.23 4.73 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 26 I 8.31 4.66 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 1.32 0.70 0.94 0.00 0.00 27 L 8.66 4.49 0.00 1.50 1.65 1.03 0.93 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 28 G 8.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.84 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 30 N 8.18 4.36 0.00 2.98 3.14 0.00 0.00 6.30 7.75 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 31 I 7.89 4.05 2.17 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 1.24 0.00 0.00 32 F 8.27 3.87 0.00 3.18 3.17 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 33 R 8.50 3.99 0.00 2.14 1.98 0.00 3.35 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 34 D 8.17 4.23 0.00 2.34 1.66 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 35 F 8.38 4.80 0.00 3.11 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 36 F 7.98 4.30 0.00 2.00 1.95 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 37 A 7.83 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.94 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 0.00 0.00 0.00 39 I 7.35 3.74 1.90 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.89 0.00 0.00 40 R 8.28 4.65 0.00 1.88 1.88 0.00 3.18 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 1.48 1.60 0.00 41 D 8.39 4.11 0.00 2.83 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 42 I 8.28 4.33 1.88 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 1.30 0.56 0.92 0.00 0.00 43 V 8.33 4.25 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 0.88 0.00 0.00 1.00 0.00 0.00 44 G 8.50 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 0.00 0.00 0.00 45 G 8.60 3.47 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 0.00 46 R 8.03 3.99 0.00 1.77 1.97 0.00 3.19 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 47 S 7.97 4.22 0.00 3.82 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 48 G 7.52 3.61 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 0.00 0.00 0.00 49 A 8.53 4.00 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 50 Y 7.71 3.54 0.00 1.43 2.56 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 0.00 0.00 0.00 0.00 51 E 6.85 3.62 0.00 1.36 1.68 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 2.21 2.21 0.00 52 K 7.25 3.72 0.00 1.51 1.55 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.41 7.81 53 E 7.86 3.86 0.00 2.38 2.06 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 1.84 2.11 0.00 54 L 8.24 4.17 0.00 2.00 1.94 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.08 3.94 0.00 1.97 2.13 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 56 K 8.14 3.96 0.00 1.88 1.91 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 57 A 8.45 4.01 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 58 R 8.51 3.88 0.00 2.08 2.19 0.00 3.37 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 59 E 8.35 4.07 0.00 2.05 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 2.35 2.62 0.00 60 I 7.79 3.70 2.10 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 1.47 1.01 0.91 0.00 0.00 61 A 7.98 3.89 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 62 F 8.39 3.75 0.00 3.13 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 63 E 8.63 3.99 0.00 2.22 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 2.37 2.51 0.00 64 E 8.26 3.97 0.00 2.07 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 2.29 2.31 0.00 65 L 8.15 4.25 0.00 1.84 1.81 0.88 0.82 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 66 G 8.96 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 67 S 8.59 4.17 0.00 4.05 4.29 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 68 Q 7.96 3.98 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 69 A 8.05 4.14 1.41 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 0.00 0.00 0.00 70 R 8.33 3.80 0.00 1.87 2.09 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 71 A 8.11 4.05 1.38 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 72 L 7.76 4.30 0.00 1.83 1.73 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.00 3.84 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 0.00 0.00 0.00 74 A 7.55 4.35 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 75 D 8.61 4.98 0.00 2.57 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 76 A 7.64 4.75 1.12 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 0.00 0.00 0.00 0.00 0.00 77 V 8.84 4.75 2.46 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 1.15 0.00 0.00 1.05 0.00 0.00 78 V 8.62 4.77 2.31 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 0.64 0.00 0.00 1.04 0.00 0.00 79 G 8.59 4.10 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 80 I 7.81 4.57 2.10 0.00 0.00 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 1.25 0.82 1.02 0.00 0.00 81 D 9.26 4.91 0.00 2.73 2.43 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 0.00 82 I 8.44 4.76 1.83 0.00 0.00 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 1.22 0.77 0.52 0.00 0.00 83 D 9.19 5.07 0.00 2.42 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 84 Y 8.60 5.03 0.00 2.79 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 85 E 8.77 4.81 0.00 1.76 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 2.18 2.34 0.00 86 T 8.61 4.14 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 1.14 0.00 0.00 87 V 7.76 4.34 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 0.71 0.00 0.00 0.88 0.00 0.00 88 G 8.52 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 0.00 0.00 0.00 89 Q 8.61 3.88 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.18 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 90 N 8.15 4.60 0.00 2.63 2.78 0.00 0.00 6.93 7.65 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 91 G 7.70 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 92 S 7.31 3.29 0.00 3.69 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 *94 L 7.15 4.36 0.00 1.67 1.59 0.80 1.02 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 *96 V 8.05 4.04 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 0.57 0.00 0.00 1.10 0.00 0.00 97 S 8.83 5.20 0.00 3.62 3.60 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 0.00 0.00 0.00 0.00 98 V 9.05 4.86 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 0.41 0.00 0.00 0.51 0.00 0.00 99 S 8.73 5.03 0.00 3.83 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 0.00 100 G 8.46 4.18 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 0.00 101 T 8.68 5.17 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 1.41 0.00 0.00 102 A 8.95 4.76 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 0.00 103 V 8.81 4.73 1.76 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 0.31 0.00 0.00 0.87 0.00 0.00 104 K 8.62 4.91 0.00 1.64 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.32 7.81 105 T 8.75 4.99 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 106 R 8.64 4.59 0.00 1.87 1.73 0.00 3.13 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 107 R 8.78 4.26 0.00 1.84 1.96 0.00 3.44 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 108 N 8.90 4.48 0.00 2.83 2.86 0.00 0.00 6.84 7.33 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 0.00 109 I 7.62 4.07 1.86 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 1.27 0.57 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.