NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3531 0.0000 0.0000 62.6756 32.6253 174.6206 2 Q 4.4529 8.0786 114.9881 53.7953 31.4556 173.5669 3 F 4.6749 9.3388 118.4094 56.0307 42.2955 176.5604 4 H 4.8043 8.7753 122.2699 55.2589 29.8991 174.7195 5 L 4.7249 7.9437 119.2824 54.5827 42.0002 178.3759 6 W 4.3756 8.4189 121.7773 58.8449 29.2671 176.7729 7 K 4.6997 7.8308 115.4017 54.4732 34.2299 176.1688 8 R 3.9622 8.4574 119.8609 56.3388 30.6438 176.1559 9 P 4.4524 0.0000 0.0000 61.9337 30.2099 173.0978 10 V 4.7394 7.6981 125.7999 62.1137 33.3562 174.5825 11 V 4.5876 8.5362 120.1172 59.9024 36.2379 174.1457 12 T 4.9875 8.3876 117.5466 62.0905 70.0925 174.3200 13 A 5.0004 9.0429 127.0981 50.3911 23.3234 174.2825 14 H 5.3157 9.2062 116.3512 54.1425 31.9252 173.3145 15 I 4.6184 8.8554 125.1634 59.6028 39.3494 175.7521 16 E 3.8408 10.0057 128.3376 57.3781 27.3905 176.2975 17 G 3.8872 8.5516 105.5155 45.3721 0.0000 173.7469 18 Q 4.5893 7.8057 120.2211 53.3675 30.4540 173.4975 19 P 5.1155 0.0000 0.0000 62.9538 32.4125 176.1008 20 V 4.5241 8.7756 120.9903 60.6169 35.1802 172.6478 21 E 4.9644 8.6568 122.3917 55.1595 30.8687 175.7439 22 V 4.5442 8.5323 117.2251 59.3055 36.2823 174.1158 23 L 4.7171 8.5099 125.2779 53.6444 43.7481 175.6394 24 L 4.7038 8.4850 127.2837 54.4474 41.7309 175.9635 25 D 4.8697 9.0427 126.0640 52.5050 42.0405 176.9853 26 T 4.1105 8.7057 116.9133 63.4029 69.2644 175.6914 27 G 3.7213 8.4049 110.2083 46.3182 0.0000 173.2101 28 A 4.7035 7.6368 122.3929 50.4712 20.9194 177.7239 29 D 4.5080 8.8057 121.3603 56.4168 42.4410 175.7113 30 D 5.6707 7.9190 116.0512 51.5295 45.7268 174.8000 31 S 5.0603 8.4327 114.2698 56.9944 66.0543 173.5361 32 I 5.1530 8.4023 123.5812 59.4729 41.6048 174.0172 33 V 5.0000 8.8669 127.0343 61.8487 35.5400 173.3306 34 T 4.7500 8.9564 118.4422 61.0431 70.8479 173.9813 35 G 3.9736 9.3998 111.8483 45.0610 0.0000 173.0023 36 I 4.6175 7.2322 110.9848 58.6997 40.5516 174.9744 37 E 4.4333 9.2123 121.1823 54.9543 30.2915 176.1500 38 L 3.9889 7.9995 123.0435 54.0889 42.0945 176.4005 39 G 3.9445 7.7500 105.0354 43.8113 0.0000 172.0374 40 P 4.6707 0.0000 0.0000 64.4287 31.8267 176.6849 41 H 4.4734 8.1614 120.3430 54.6763 28.1531 172.4284 42 Y 4.7396 6.7175 120.6050 55.0845 42.1418 174.7610 43 T 4.5618 8.4917 116.4747 60.7327 70.6817 172.6216 44 P 4.8672 0.0000 0.0000 63.2246 31.9673 175.8369 45 K 4.8149 9.3133 122.0338 54.6188 36.8153 175.0712 46 I 4.8294 8.2983 121.7749 61.4194 40.0470 173.6667 47 V 4.2819 9.1075 117.2966 61.9154 32.6556 176.5428 *52 G 3.9541 9.1466 117.7208 47.0586 0.0000 175.7452 *53 F 4.6258 8.5509 120.9255 54.9767 38.1807 172.3990 54 I 4.4208 8.8544 121.8935 59.2935 40.2293 174.3242 55 N 5.4606 8.5293 120.2633 52.1352 39.9352 174.6595 56 T 4.8765 9.1460 113.2333 59.7962 73.3327 172.6003 57 K 4.6554 8.5755 120.8350 54.4776 35.0013 174.9303 58 E 4.8929 9.0036 126.8362 54.9262 31.5243 174.0390 59 Y 5.0329 9.2645 127.2355 56.7523 40.9101 175.6001 60 K 4.8473 8.5834 125.8563 53.6843 35.8305 172.7462 61 N 4.1817 8.7041 116.3917 55.0130 37.2674 174.0613 62 V 4.0943 8.0320 116.5698 61.5878 33.4155 174.2519 63 E 4.7656 8.9399 128.7354 55.8781 30.7212 175.4997 64 V 5.0574 8.9887 120.2556 59.5985 35.8578 174.4653 65 E 5.2845 9.1715 123.8110 54.6515 32.7853 175.3126 66 V 4.5189 8.9545 122.2606 61.2459 35.2587 173.6888 67 L 3.8087 9.7531 121.0047 55.9722 39.1306 175.8647 68 G 3.9771 8.6194 105.0470 45.3596 0.0000 174.1159 69 K 4.6233 8.0844 119.0088 54.3326 34.7711 174.9812 70 R 5.0135 8.4373 120.9385 54.7299 32.3666 174.1861 71 I 4.7896 8.9317 119.3410 59.0280 41.7468 174.0569 72 K 5.0292 8.3895 120.8379 55.0590 34.9204 176.3233 73 G 4.0888 8.8398 109.9893 46.3203 0.0000 171.3728 74 T 5.2872 8.4070 115.9118 62.0503 70.7617 174.2057 75 I 4.6907 8.7711 124.0736 59.9404 42.2544 173.2363 76 M 5.4730 8.7619 126.4016 53.7697 35.1953 174.8552 77 T 5.6344 8.8141 112.3287 58.5337 72.0196 173.7440 78 G 4.0803 8.2501 110.4690 46.1644 0.0000 171.5350 79 D 4.5260 8.5680 119.4020 54.8735 39.9545 176.0235 80 T 4.6615 8.0055 118.0732 59.1789 70.2989 172.3682 81 P 4.4366 0.0000 0.0000 64.8051 31.8428 176.5115 82 I 4.5995 7.3532 117.9303 59.2327 40.7422 174.0229 83 N 5.0385 8.5825 121.5108 52.3637 39.9355 174.0531 84 I 5.0029 8.8649 117.3721 59.1179 41.2893 174.4816 85 F 5.0627 9.5409 125.1058 56.2519 40.5359 176.1623 86 G 4.3950 8.8565 114.6631 43.3801 0.0000 173.4296 87 R 3.9840 8.8931 117.8748 59.0274 29.0226 179.2467 88 N 4.3847 8.0808 115.5458 55.0812 37.7266 176.8132 89 L 4.4164 7.6746 118.0068 56.3219 42.3677 178.5275 90 L 4.0499 7.9552 119.3436 58.0153 41.4830 179.7152 91 T 3.8919 8.0570 109.5258 64.7788 68.6243 176.6855 92 A 4.0048 7.3484 122.5341 54.1308 18.4324 178.5396 93 L 4.4203 7.6689 115.4268 53.9155 42.1250 176.7593 94 G 3.9008 8.0048 107.0618 46.9002 0.0000 173.7908 95 M 4.5674 8.0596 118.6970 53.6243 33.4786 176.0120 96 S 4.7399 8.2268 115.3319 56.4813 66.5413 172.6594 97 L 4.6047 8.4245 122.6023 53.5648 43.0174 175.2892 98 N 5.2283 8.6158 123.0310 51.7132 41.3641 174.5722 99 F 4.4991 8.0807 114.7587 57.4417 37.6695 174.0725 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 P 0.00 4.35 0.00 2.00 2.07 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 2 Q 8.08 4.45 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 3 F 9.34 4.67 0.00 3.06 2.96 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 4 H 8.78 4.80 0.00 3.35 3.34 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 5 L 7.94 4.72 0.00 1.44 1.57 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.42 4.38 0.00 3.33 3.23 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 7 K 7.83 4.70 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 8 R 8.46 3.96 0.00 1.81 1.91 0.00 3.20 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 9 P 0.00 4.45 0.00 1.78 2.02 0.00 3.61 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 2.05 1.86 0.00 10 V 7.70 4.74 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 0.76 0.00 0.00 0.88 0.00 0.00 11 V 8.54 4.59 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 0.65 0.00 0.00 0.76 0.00 0.00 12 T 8.39 4.99 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 1.27 0.00 0.00 13 A 9.04 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 9.21 5.32 0.00 3.10 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.86 4.62 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.91 0.00 0.00 16 E 10.01 3.84 0.00 2.04 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 2.22 2.31 0.00 17 G 8.55 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 Q 7.81 4.59 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 19 P 0.00 5.12 0.00 2.08 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 20 V 8.78 4.52 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 0.86 0.00 0.00 0.90 0.00 0.00 21 E 8.66 4.96 0.00 1.82 1.85 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 2.19 2.29 0.00 22 V 8.53 4.54 1.53 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 0.27 0.00 0.00 -0.14 0.00 0.00 23 L 8.51 4.72 0.00 1.69 1.59 0.87 0.77 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 24 L 8.49 4.70 0.00 1.44 1.58 0.51 0.82 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 25 D 9.04 4.87 0.00 2.70 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 26 T 8.71 4.11 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 1.21 0.00 0.00 27 G 8.40 3.72 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 0.00 0.00 0.00 28 A 7.64 4.70 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 29 D 8.81 4.51 0.00 2.61 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 30 D 7.92 5.67 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 5.06 0.00 3.65 3.82 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 0.00 0.00 0.00 32 I 8.40 5.15 1.90 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 1.14 1.89 0.94 0.00 0.00 33 V 8.87 5.00 2.18 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 0.91 0.00 0.00 1.07 0.00 0.00 34 T 8.96 4.75 4.47 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 1.26 0.00 0.00 35 G 9.40 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.23 4.62 1.94 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 1.39 0.72 0.89 0.00 0.00 37 E 9.21 4.43 0.00 1.87 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 0.00 2.21 2.37 0.00 38 L 8.00 3.99 0.00 0.27 0.79 0.55 0.89 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 39 G 7.75 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 40 P 0.00 4.67 0.00 2.25 2.28 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 41 H 8.16 4.47 0.00 3.20 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 6.72 4.74 0.00 2.36 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.56 4.21 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 1.19 0.00 0.00 44 P 0.00 4.87 0.00 2.12 2.21 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 45 K 9.31 4.81 0.00 1.63 1.68 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 46 I 8.30 4.83 1.87 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 1.35 0.61 0.91 0.00 0.00 47 V 9.11 4.28 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 0.78 0.00 0.00 0.93 0.00 0.00 *52 G 9.15 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 *53 F 8.55 4.63 0.00 2.29 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 0.00 0.00 0.00 54 I 8.85 4.42 1.87 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 1.33 0.61 0.91 0.00 0.00 55 N 8.53 5.46 0.00 2.62 2.77 0.00 0.00 6.69 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 56 T 9.15 4.88 4.32 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 1.21 0.00 0.00 57 K 8.58 4.66 0.00 1.53 0.87 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.94 7.81 58 E 9.00 4.89 0.00 2.02 1.85 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 2.24 2.29 0.00 59 Y 9.26 5.03 0.00 3.00 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 60 K 8.58 4.85 0.00 1.49 1.53 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 0.96 7.81 61 N 8.70 4.18 0.00 2.84 2.96 0.00 0.00 6.95 7.72 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 62 V 8.03 4.09 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 0.98 0.00 0.00 1.05 0.00 0.00 63 E 8.94 4.77 0.00 2.15 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 2.31 2.30 0.00 64 V 8.99 5.06 2.17 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 0.68 0.00 0.00 1.06 0.00 0.00 65 E 9.17 5.28 0.00 1.89 1.83 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 2.24 2.25 0.00 66 V 8.95 4.52 2.21 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 0.84 0.00 0.00 1.00 0.00 0.00 67 L 9.75 3.81 0.00 1.89 1.88 1.09 1.30 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 68 G 8.62 3.98 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 0.00 0.00 0.00 69 K 8.08 4.62 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.38 7.81 70 R 8.44 5.01 0.00 1.78 1.79 0.00 3.19 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 71 I 8.93 4.79 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.02 0.92 0.00 0.00 72 K 8.39 5.03 0.00 1.62 1.84 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.40 7.81 73 G 8.84 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 74 T 8.41 5.29 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 1.30 0.00 0.00 75 I 8.77 4.69 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.97 0.00 0.00 76 M 8.76 5.47 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 77 T 8.81 5.63 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 1.22 0.00 0.00 78 G 8.25 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 0.00 0.00 0.00 79 D 8.57 4.53 0.00 2.66 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 80 T 8.01 4.66 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 1.32 0.00 0.00 81 P 0.00 4.44 0.00 2.21 2.16 0.00 3.76 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 1.98 1.98 0.00 82 I 7.35 4.60 1.87 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 0.94 0.89 0.00 0.00 83 N 8.58 5.04 0.00 2.75 2.71 0.00 0.00 6.55 7.45 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 84 I 8.86 5.00 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.92 0.00 0.00 85 F 9.54 5.06 0.00 2.98 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 86 G 8.86 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 0.00 0.00 0.00 0.00 87 R 8.89 3.98 0.00 1.83 2.00 0.00 3.13 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 88 N 8.08 4.38 0.00 2.78 3.19 0.00 0.00 6.84 7.32 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 89 L 7.67 4.42 0.00 1.37 1.33 -0.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.96 4.05 0.00 1.71 1.75 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.06 3.89 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 1.23 0.00 0.00 92 A 7.35 4.00 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 93 L 7.67 4.42 0.00 1.92 1.76 1.04 1.02 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 94 G 8.00 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 95 M 8.06 4.57 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 96 S 8.23 4.74 0.00 3.95 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 97 L 8.42 4.60 0.00 1.65 1.69 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.62 5.23 0.00 2.74 2.70 0.00 0.00 6.86 7.39 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 99 F 8.08 4.50 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.