NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9582 8.3501 109.7365 44.9581 0.0000 173.5437 0 A 4.1054 7.4602 127.5023 51.4929 21.7198 174.0120 2 A 4.7479 8.6627 118.6334 50.2701 23.2028 174.5032 3 A 4.2718 8.2818 122.3486 50.8607 19.5585 176.0465 4 P 4.3312 0.0000 0.0000 62.8895 32.0327 177.8069 5 I 3.7107 8.5912 123.5218 64.2363 37.3174 177.8937 6 L 4.6972 7.5156 119.3601 53.4029 42.2767 176.2340 7 K 3.9590 7.5443 119.2032 58.4829 32.4293 176.4456 8 D 4.7238 8.9224 123.7682 54.2954 38.9165 174.2307 9 V 3.9019 7.6557 120.9290 62.5670 33.0083 174.9336 10 V 4.7893 9.0204 127.6361 61.3585 33.7420 173.7211 11 A 5.3057 9.1544 130.8148 50.4155 21.8300 174.4692 12 Y 4.9978 8.8045 122.2808 55.6957 41.5993 174.4429 13 V 4.5704 7.7444 125.8626 61.1902 33.8233 175.0500 14 E 4.4630 9.2792 128.8020 53.9741 31.0405 172.0873 15 V 4.5929 8.6349 122.9098 60.4628 34.1122 173.8297 16 W 5.3978 8.9484 128.0757 54.3282 32.5589 176.0161 17 S 4.3980 9.2326 116.9450 58.5769 63.2903 175.5566 18 S 4.2606 8.8829 117.5801 61.8495 62.6372 175.4555 19 N 4.4699 8.1630 114.2535 52.8827 37.5025 175.8103 20 G 3.8287 8.1910 107.5413 46.1757 0.0000 174.6931 21 T 4.3109 8.4017 110.1794 62.7725 69.6292 174.9432 22 E 4.5242 8.4928 121.5910 54.3354 32.7800 173.8075 23 N 3.9246 8.2210 122.0855 52.1747 39.5743 173.7045 24 Y 4.4621 8.5512 123.0612 58.0678 38.4824 177.8990 25 S 4.1658 8.5607 120.4121 61.5417 62.7072 176.4371 26 K 3.8469 7.9457 121.8730 59.7722 31.3894 178.4738 27 T 3.6555 7.5380 115.9175 66.7192 68.3747 176.0414 28 F 4.3255 7.9287 118.0326 59.4716 39.4217 178.1948 29 T 3.8999 8.2118 116.1553 66.9635 68.2898 176.3996 30 T 3.8525 7.7974 117.4522 66.9618 68.2816 176.6185 31 Q 3.9825 7.4234 117.2808 58.8874 28.9832 178.6339 32 L 4.1458 8.0503 120.0431 57.8501 41.4761 179.7610 33 V 4.0289 7.5965 118.4003 65.1774 31.6198 178.5526 34 D 4.6654 7.9303 119.3000 53.8184 40.7364 177.3956 *36 G 3.8057 8.0091 106.2272 44.7871 0.0000 173.6144 37 A 4.5511 7.9007 122.2560 51.7343 19.9673 177.0714 38 K 4.5349 8.8352 118.9309 55.0691 34.6143 175.9685 39 V 4.8774 8.2794 122.3585 61.2513 33.9459 174.4273 40 S 4.8638 9.0778 123.0682 56.7611 63.2709 174.5139 41 K 4.3133 8.9929 125.6987 58.3796 32.3559 177.1096 42 T 4.8015 7.4329 107.6641 59.5465 71.3035 174.4616 43 F 4.2548 8.0220 125.9443 57.0968 37.7360 174.4025 44 N 4.8848 7.9414 123.8909 50.3866 39.8575 176.5555 45 K 4.1190 8.4301 116.3184 59.0486 32.1422 178.3074 46 Q 4.2305 8.4391 117.0408 56.9189 29.1227 176.5853 47 V 3.9320 7.6313 119.2543 63.2282 32.1608 175.4005 48 T 4.5577 9.1028 116.7655 62.4544 71.2411 173.9643 49 H 5.2009 8.0393 118.2547 53.8231 33.6287 172.3457 50 V 4.6626 8.7663 122.5470 61.1825 34.0561 174.2728 51 I 4.7684 8.4775 129.6094 60.3034 38.3653 174.5773 52 F 5.2889 8.9787 129.8866 56.1671 42.0075 174.3787 53 K 4.2636 8.5279 127.3316 55.2960 35.3844 175.6027 54 D 4.4731 8.6164 128.4278 55.2200 38.8133 174.1997 55 G 3.7178 6.0952 109.2999 44.9345 0.0000 173.6998 56 Y 4.4509 9.6297 118.1213 57.2965 40.0263 176.3794 57 Q 4.2273 8.9904 124.5739 59.4529 29.2637 178.9164 58 S 4.2360 8.3497 114.9311 61.7109 62.9154 176.6171 59 T 4.2243 8.2593 118.9322 66.1674 68.3416 176.1919 60 W 3.8336 8.3608 130.0085 60.7388 30.6490 177.7634 61 D 4.4121 8.7041 119.0714 57.1984 40.2373 178.8057 62 K 3.8161 8.3044 119.9941 59.2968 32.1882 178.6955 63 A 4.2135 8.4378 121.3681 55.3993 18.1485 179.6594 64 Q 3.7108 8.0125 116.5998 58.8582 28.5404 178.8680 65 K 3.8909 7.9847 119.6796 59.3736 32.3780 178.3107 66 R 4.2816 7.9091 115.2467 55.5055 30.3664 176.7399 67 G 3.8141 7.4316 106.8624 46.3490 0.0000 173.9213 68 V 3.8688 7.5219 119.4075 61.7862 32.6128 175.8723 69 K 3.9089 8.5362 127.5527 56.4119 33.2772 175.9134 70 L 4.8353 8.2541 125.3421 53.3938 43.1735 175.7754 71 V 4.9485 8.3589 117.6766 59.2172 35.6743 176.0237 72 S 4.8280 8.6500 118.1981 57.5961 64.7326 175.6923 73 V 3.5530 8.3051 112.9489 64.1306 30.9296 178.5188 74 L 3.8780 7.9350 120.0234 57.6553 41.9347 178.3948 75 W 4.1315 8.1365 128.1951 60.5140 30.6013 177.9901 76 V 3.2526 7.5993 116.7464 65.9359 30.9745 177.5032 77 E 3.8251 8.0358 118.8904 59.4011 29.4647 179.0404 78 K 3.9001 7.9743 118.6197 59.2887 32.0082 179.2411 79 C 4.2126 7.5583 118.5432 62.1160 27.8053 176.0947 80 R 3.7876 7.6674 120.2298 59.7078 29.4488 178.7150 81 T 3.8066 8.0005 114.6739 66.5021 68.5267 176.1798 82 A 4.1900 8.1072 121.2657 52.1866 18.7729 177.4116 83 G 3.8585 7.6364 104.8123 45.7282 0.0000 173.2268 84 A 4.4383 7.4347 118.6917 50.8232 22.4092 176.6013 85 H 4.6850 8.5561 120.1882 55.4401 28.6814 175.1081 86 I 4.0974 7.8374 126.8409 60.3134 38.1003 175.9293 87 D 4.5767 8.8020 123.2114 54.6001 41.1642 177.3298 88 E 4.0352 9.0716 126.1455 59.0905 29.2157 179.3152 89 S 4.1858 8.3422 113.6821 60.9825 63.0026 176.1127 90 L 3.9486 7.8378 122.2136 56.1588 43.0152 177.2239 91 F 4.9728 7.7998 116.0105 55.1072 39.5188 172.1590 92 P 4.8882 0.0000 0.0000 62.3420 32.5509 177.8849 93 A 4.5421 8.5488 123.2877 52.2402 19.2005 176.6503 94 A 4.9024 8.7939 120.3847 50.0684 22.1189 176.2866 95 N 4.1411 8.0142 117.2098 53.4224 38.9345 174.4280 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 G 8.35 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 0.00 0.00 0.00 0 A 7.46 4.11 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 2 A 8.66 4.75 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 3 A 8.28 4.27 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 4 P 0.00 4.33 0.00 2.19 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 5 I 8.59 3.71 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.43 0.82 0.00 0.00 6 L 7.52 4.70 0.00 1.66 1.64 0.81 0.33 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 7 K 7.54 3.96 0.00 1.90 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 8 D 8.92 4.72 0.00 2.96 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 9 V 7.66 3.90 2.24 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 0.93 0.00 0.00 1.01 0.00 0.00 10 V 9.02 4.79 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 1.03 0.00 0.00 0.98 0.00 0.00 11 A 9.15 5.31 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 12 Y 8.80 5.00 0.00 2.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.57 1.96 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 0.83 0.00 0.00 0.94 0.00 0.00 14 E 9.28 4.46 0.00 2.00 1.86 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 2.49 2.57 0.00 15 V 8.63 4.59 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 0.77 0.00 0.00 0.67 0.00 0.00 16 W 8.95 5.40 0.00 3.18 3.06 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 0.00 0.00 0.00 17 S 9.23 4.40 0.00 4.04 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 0.00 18 S 8.88 4.26 0.00 3.89 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 19 N 8.16 4.47 0.00 2.82 2.94 0.00 0.00 6.06 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 20 G 8.19 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 0.00 0.00 0.00 21 T 8.40 4.31 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 1.29 0.00 0.00 22 E 8.49 4.52 0.00 2.13 1.47 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 2.27 2.43 0.00 23 N 8.22 3.92 0.00 1.44 2.10 0.00 0.00 7.08 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 24 Y 8.55 4.46 0.00 3.13 3.07 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 25 S 8.56 4.17 0.00 3.69 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 26 K 7.95 3.85 0.00 1.75 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 27 T 7.54 3.66 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 0.38 0.00 0.00 28 F 7.93 4.33 0.00 3.10 3.15 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 29 T 8.21 3.90 4.38 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 1.22 0.00 0.00 30 T 7.80 3.85 4.30 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 1.20 0.00 0.00 31 Q 7.42 3.98 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 32 L 8.05 4.15 0.00 1.91 1.77 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.60 4.03 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 1.11 0.00 0.00 0.98 0.00 0.00 34 D 7.93 4.67 0.00 2.83 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 *36 G 8.01 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 37 A 7.90 4.55 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 38 K 8.84 4.53 0.00 1.75 1.75 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 39 V 8.28 4.88 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 0.87 0.00 0.00 0.97 0.00 0.00 40 S 9.08 4.86 0.00 3.95 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 41 K 8.99 4.31 0.00 1.87 1.95 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.42 7.81 42 T 7.43 4.80 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 1.28 0.00 0.00 43 F 8.02 4.25 0.00 1.68 2.48 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 44 N 7.94 4.88 0.00 2.99 2.98 0.00 0.00 6.14 6.56 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 45 K 8.43 4.12 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.42 7.81 46 Q 8.44 4.23 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 47 V 7.63 3.93 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 0.73 0.00 0.00 1.13 0.00 0.00 48 T 9.10 4.56 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 1.31 0.00 0.00 49 H 8.04 5.20 0.00 3.03 3.01 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.77 4.66 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 1.15 0.00 0.00 0.38 0.00 0.00 51 I 8.48 4.77 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.83 0.00 0.00 52 F 8.98 5.29 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.26 0.00 1.70 1.46 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.38 7.81 54 D 8.62 4.47 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.10 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 56 Y 9.63 4.45 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.99 4.23 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.77 0.00 58 S 8.35 4.24 0.00 4.13 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 0.00 59 T 8.26 4.22 5.08 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 1.76 0.00 0.00 60 W 8.36 3.83 0.00 3.15 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 61 D 8.70 4.41 0.00 2.79 2.76 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 62 K 8.30 3.82 0.00 1.74 1.76 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.60 1.07 7.81 63 A 8.44 4.21 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 64 Q 8.01 3.71 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 1.78 2.21 0.00 65 K 7.98 3.89 0.00 1.77 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 66 R 7.91 4.28 0.00 1.85 1.94 0.00 3.13 0.00 0.00 2.96 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 67 G 7.43 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 68 V 7.52 3.87 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 0.71 0.00 0.00 1.11 0.00 0.00 69 K 8.54 3.91 0.00 1.26 1.37 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.20 7.81 70 L 8.25 4.84 0.00 1.13 1.21 -0.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.36 4.95 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 -0.08 0.00 0.00 0.44 0.00 0.00 72 S 8.65 4.83 0.00 4.02 4.30 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 73 V 8.31 3.55 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 -0.15 0.00 0.00 0.79 0.00 0.00 74 L 7.93 3.88 0.00 1.76 1.73 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.14 4.13 0.00 3.78 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.25 2.36 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 1.02 0.00 0.00 1.23 0.00 0.00 77 E 8.04 3.83 0.00 2.06 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 2.19 2.29 0.00 78 K 7.97 3.90 0.00 1.27 1.56 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.95 0.21 7.81 79 C 7.56 4.21 0.00 2.56 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 80 R 7.67 3.79 0.00 1.79 1.97 0.00 3.04 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 81 T 8.00 3.81 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 1.17 0.00 0.00 82 A 8.11 4.19 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 83 G 7.64 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 84 A 7.43 4.44 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 85 H 8.56 4.68 0.00 3.41 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.84 4.10 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 1.22 0.00 0.00 87 D 8.80 4.58 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.07 4.04 0.00 1.98 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 1.97 1.80 0.00 89 S 8.34 4.19 0.00 3.99 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 90 L 7.84 3.95 0.00 1.75 0.92 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.80 4.97 0.00 3.42 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 92 P 0.00 4.89 0.00 2.14 2.06 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 93 A 8.55 4.54 1.63 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 94 A 8.79 4.90 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 95 N 8.01 4.14 0.00 1.44 1.42 0.00 0.00 6.88 7.56 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 * Residues marked with a * may have inaccurate shift predictions.