NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2260 8.3293 119.6819 55.3023 30.0468 174.7120 4 P 4.5304 0.0000 0.0000 61.0424 33.7764 173.6497 5 I 3.9296 8.8124 122.0293 61.0874 38.5828 176.7005 6 V 4.6009 8.3920 127.3458 61.4284 32.9469 174.6380 7 I 4.3261 8.6510 130.3578 60.2823 39.0130 175.0200 8 H 5.1104 9.0147 125.4178 54.7697 28.3055 174.7250 9 S 4.4360 8.9159 119.3557 57.3252 63.9378 172.2518 10 S 4.3338 8.7735 116.5029 60.3163 64.5362 175.4737 *12 K 4.1252 7.6611 121.6395 52.6979 33.6410 177.0694 13 N 4.8688 7.7097 115.9327 52.3955 41.7192 174.3186 14 Y 4.3866 8.2494 121.1281 59.8176 38.4777 177.2549 15 G 4.0615 9.6030 107.9135 44.9504 0.0000 172.2334 16 F 5.5332 7.6242 111.8580 55.6202 41.5168 173.2850 17 T 4.8629 9.2548 116.0265 61.6942 71.4494 173.4404 18 I 5.3465 8.5299 118.1355 59.3552 40.5124 174.8520 19 R 4.7900 8.9302 121.6983 54.4107 34.2494 174.1571 20 A 5.0379 8.4876 123.6175 50.9355 20.3123 176.6622 21 I 4.6504 8.9362 115.0621 59.0759 41.4154 174.3829 22 R 4.9420 8.5530 122.1813 54.4873 32.4104 175.4284 23 V 4.4055 8.8153 124.4346 61.4788 33.3681 174.2421 24 Y 4.8466 8.8238 125.7861 57.2714 39.6926 175.4567 25 V 3.9518 9.0251 123.5797 61.5511 32.5247 175.9371 26 G 3.7001 8.8886 119.2529 47.3488 0.0000 173.0658 27 D 4.7074 8.7887 124.1938 52.7858 39.5016 176.4630 28 S 4.5669 7.9149 115.4282 58.1745 64.2257 173.5469 29 D 5.0150 8.5252 117.9519 54.5388 40.9749 176.5926 30 I 4.3351 7.8366 122.4375 60.8584 38.3691 174.6313 31 Y 5.2608 7.7195 123.5180 55.6232 41.3483 173.9916 32 T 4.6605 8.7819 109.7587 59.9539 72.1993 172.8950 33 V 4.8776 8.1793 122.2091 61.7837 33.5497 174.5863 34 H 4.8868 9.1224 123.3755 54.3692 33.6013 172.2475 35 H 5.2604 8.8012 118.6992 54.3682 30.7379 172.9390 36 I 4.7034 8.6808 125.1749 59.4642 40.1427 175.0890 37 V 4.2493 8.8033 129.5894 62.9040 31.2926 176.2004 38 W 4.5768 9.5566 135.0000 60.1139 31.3314 175.9525 39 N 4.9807 8.2296 116.3682 51.9566 42.3212 173.0908 40 V 4.7593 8.2260 123.9751 61.0393 34.2462 174.5550 41 E 4.3347 9.3351 130.7691 56.1933 30.5197 177.0959 42 E 3.9182 8.9196 121.0152 57.5664 30.1970 173.9619 43 G 3.9449 8.8773 110.4034 45.7496 0.0000 173.8878 44 S 4.7282 7.4695 115.6945 56.0133 66.3805 173.1308 45 P 4.2657 0.0000 0.0000 65.7644 30.9803 178.8615 46 A 4.0477 8.1949 119.6118 55.1514 18.3089 179.2666 47 C 4.0318 8.0569 116.8494 62.6865 31.4645 175.4252 48 Q 3.9607 8.1444 119.9065 59.2614 28.7026 177.9070 49 A 4.2535 7.8987 119.7603 52.7871 18.5277 178.1541 50 G 3.7759 7.7072 105.1805 45.5376 0.0000 173.5627 51 L 3.8470 7.5506 121.2824 54.5043 42.7302 176.1554 52 K 4.3928 8.3234 126.1415 53.9495 33.7740 175.0894 53 A 4.2994 8.4317 129.6430 53.9107 18.7805 176.9431 54 G 4.1158 9.2132 111.0727 45.3217 0.0000 173.8036 55 D 4.7098 7.8206 118.8967 53.8511 42.7869 175.2025 56 L 5.0695 8.6589 119.9916 53.1132 44.4428 176.0601 57 I 4.4575 8.7133 124.9858 61.3256 37.5029 175.7828 58 T 4.4357 9.1850 117.3005 62.6773 71.3091 174.1029 59 H 5.3548 8.0013 117.0303 54.0252 33.9758 172.6324 60 I 4.6602 8.4831 121.6268 59.7530 40.2253 175.6086 61 N 3.8596 10.5508 127.4030 54.2301 36.5746 175.8619 62 G 3.9050 8.6630 107.8108 45.8958 0.0000 174.3793 63 E 4.5415 7.7875 116.9611 53.6258 30.9581 179.7401 64 P 4.6104 0.0000 0.0000 61.9174 32.2252 176.7737 65 V 4.1515 7.9556 113.1780 61.0948 32.1549 175.8615 66 H 4.1897 7.9683 117.6672 57.7186 28.7500 175.7762 67 G 3.9672 8.9555 111.4803 45.4342 0.0000 173.1210 68 L 4.6156 7.6425 119.7810 53.8306 42.9976 177.7280 69 V 4.1660 8.9148 116.9131 60.1789 34.1399 176.9805 70 H 4.1087 8.8676 118.9048 60.2539 29.4486 177.0753 71 T 3.8851 7.9505 110.5266 64.7840 68.6547 176.0807 72 E 3.9916 8.0990 121.1166 59.0280 29.6779 179.2209 73 V 3.5290 7.7163 118.3784 65.8167 31.4944 177.8380 74 I 3.6382 7.6761 119.7036 64.6871 36.9259 177.8497 75 E 3.9169 8.1173 119.6898 59.3176 29.1867 178.7967 76 L 3.9874 7.5701 117.6610 57.7650 41.7520 179.2413 77 L 4.2197 7.8006 118.5973 57.6786 41.3860 179.5095 78 L 4.0726 8.0573 118.2788 57.8094 41.7249 179.5457 79 K 4.1537 8.1931 116.9483 57.8345 32.1538 177.5937 80 S 4.4178 7.0334 113.6144 57.9479 63.6374 174.5818 81 G 4.0998 8.3560 119.6754 46.3393 0.0000 174.9453 82 N 4.6101 9.1796 120.5418 56.5445 38.6761 173.0678 83 K 5.2076 8.0348 122.4131 53.7664 33.2392 178.0990 84 V 4.4493 8.6127 124.0588 59.0941 34.7528 174.5357 85 S 5.1755 9.1710 120.0811 56.9506 65.1621 173.0408 86 I 4.8893 8.8261 125.8531 59.7377 40.2987 174.6069 87 T 4.9490 8.8518 124.6998 62.5979 69.8433 174.1812 88 T 5.1651 8.9401 116.2507 60.1959 72.2432 173.1456 89 T 4.6825 8.6016 115.7999 59.9995 71.2110 171.5619 90 P 4.9261 0.0000 0.0000 61.3948 33.0453 175.9456 91 F 3.9882 8.6665 119.7293 58.2205 38.5697 175.9019 92 E 4.5648 8.5830 126.2773 55.6220 31.1285 174.9205 93 N 5.0767 8.4132 124.0577 52.7970 39.6577 175.5158 94 T 3.9816 8.0312 115.2489 63.7899 69.0312 174.4064 95 E 4.4188 8.5217 125.5797 55.4760 31.1514 176.5047 96 T 4.2800 8.1554 117.7923 62.4890 67.6725 173.8207 97 S 4.7811 8.3171 120.5243 56.2659 64.3932 174.4373 98 V 4.0485 8.1858 119.4212 61.6405 32.2263 175.3429 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 3 Q 8.33 4.23 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 4 P 0.00 4.53 0.00 2.08 2.01 0.00 3.47 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 1.90 2.13 0.00 5 I 8.81 3.93 1.83 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 1.14 0.66 0.88 0.00 0.00 6 V 8.39 4.60 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 0.67 0.00 0.00 0.90 0.00 0.00 7 I 8.65 4.33 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 1.10 0.00 0.00 8 H 9.01 5.11 0.00 3.03 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.92 4.44 0.00 4.17 4.11 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 0.00 0.00 0.00 0.00 10 S 8.77 4.33 0.00 3.98 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 *12 K 7.66 4.13 0.00 1.82 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 13 N 7.71 4.87 0.00 2.59 2.66 0.00 0.00 7.10 7.46 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 14 Y 8.25 4.39 0.00 3.11 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 15 G 9.60 4.06 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 0.00 0.00 0.00 16 F 7.62 5.53 0.00 3.23 3.01 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 0.00 17 T 9.25 4.86 4.49 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 1.38 0.00 0.00 18 I 8.53 5.35 2.05 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 1.40 0.81 1.26 0.00 0.00 19 R 8.93 4.79 0.00 1.69 1.64 0.00 2.21 0.00 0.00 2.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.35 0.00 20 A 8.49 5.04 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 21 I 8.94 4.65 1.93 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 1.53 0.81 0.96 0.00 0.00 22 R 8.55 4.94 0.00 1.58 1.24 0.00 2.74 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.34 0.00 23 V 8.82 4.41 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 1.06 0.00 0.00 1.06 0.00 0.00 24 Y 8.82 4.85 0.00 2.94 2.98 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 25 V 9.03 3.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 26 G 8.89 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 0.00 0.00 0.00 27 D 8.79 4.71 0.00 2.79 2.78 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 28 S 7.91 4.57 0.00 4.08 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 29 D 8.53 5.02 0.00 2.80 2.92 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 30 I 7.84 4.34 1.90 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 1.27 0.58 0.83 0.00 0.00 31 Y 7.72 5.26 0.00 2.39 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 0.00 0.00 0.00 32 T 8.78 4.66 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 1.19 0.00 0.00 33 V 8.18 4.88 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 0.73 0.00 0.00 1.10 0.00 0.00 34 H 9.12 4.89 0.00 3.08 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.80 5.26 0.00 3.09 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.68 4.70 2.04 0.00 0.00 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 1.39 1.77 1.19 0.00 0.00 37 V 8.80 4.25 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 0.85 0.00 0.00 0.86 0.00 0.00 38 W 9.56 4.58 0.00 3.47 3.33 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 39 N 8.23 4.98 0.00 2.78 2.68 0.00 0.00 6.58 7.71 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 40 V 8.23 4.76 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 0.92 0.00 0.00 0.99 0.00 0.00 41 E 9.34 4.33 0.00 2.03 1.90 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 2.37 2.42 0.00 42 E 8.92 3.92 0.00 1.98 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 0.00 2.23 1.89 0.00 43 G 8.88 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 44 S 7.47 4.73 0.00 4.08 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 45 P 0.00 4.27 0.00 2.48 2.47 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 46 A 8.19 4.05 1.55 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 0.00 0.00 47 C 8.06 4.03 0.00 3.25 3.21 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 48 Q 8.14 3.96 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 49 A 7.90 4.25 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 0.00 0.00 0.00 0.00 0.00 50 G 7.71 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 51 L 7.55 3.85 0.00 1.44 1.55 0.64 -0.37 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 52 K 8.32 4.39 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.37 7.81 53 A 8.43 4.30 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 54 G 9.21 4.12 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 0.00 55 D 7.82 4.71 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 5.07 0.00 1.35 1.43 0.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.71 4.46 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.93 0.00 0.00 58 T 9.18 4.44 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 1.18 0.00 0.00 59 H 8.00 5.35 0.00 3.05 3.16 0.00 5.75 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 60 I 8.48 4.66 1.86 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 1.22 0.70 0.89 0.00 0.00 61 N 10.55 3.86 0.00 2.77 2.87 0.00 0.00 7.20 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 62 G 8.66 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 63 E 7.79 4.54 0.00 1.92 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 2.18 2.14 0.00 64 P 0.00 4.61 0.00 2.01 1.93 0.00 3.62 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 2.03 2.12 0.00 65 V 7.96 4.15 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 0.76 0.00 0.00 0.92 0.00 0.00 66 H 7.97 4.19 0.00 3.12 3.23 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.96 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 68 L 7.64 4.62 0.00 1.73 1.58 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.91 4.17 2.13 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 0.91 0.00 0.00 1.01 0.00 0.00 70 H 8.87 4.11 0.00 3.27 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.95 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 1.24 0.00 0.00 72 E 8.10 3.99 0.00 2.19 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 2.40 2.36 0.00 73 V 7.72 3.53 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 0.97 0.00 0.00 0.60 0.00 0.00 74 I 7.68 3.64 2.01 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 1.40 0.72 0.88 0.00 0.00 75 E 8.12 3.92 0.00 2.14 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 2.31 2.23 0.00 76 L 7.57 3.99 0.00 1.86 1.72 0.90 0.98 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 77 L 7.80 4.22 0.00 1.96 1.85 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.06 4.07 0.00 1.61 1.74 0.91 1.15 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 79 K 8.19 4.15 0.00 2.03 1.89 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.32 7.81 80 S 7.03 4.42 0.00 4.01 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 81 G 8.36 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 82 N 9.18 4.61 0.00 2.43 2.83 0.00 0.00 6.70 7.26 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 83 K 8.03 5.21 0.00 1.53 1.62 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.00 7.81 84 V 8.61 4.45 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 0.10 0.00 0.00 0.75 0.00 0.00 85 S 9.17 5.18 0.00 3.74 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 86 I 8.83 4.89 1.70 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 1.13 0.60 0.79 0.00 0.00 87 T 8.85 4.95 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 1.17 0.00 0.00 88 T 8.94 5.17 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 1.11 0.00 0.00 89 T 8.60 4.68 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 1.11 0.00 0.00 90 P 0.00 4.93 0.00 2.01 1.99 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 91 F 8.67 3.99 0.00 3.03 3.01 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 0.00 92 E 8.58 4.56 0.00 1.91 1.88 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 2.25 2.36 0.00 93 N 8.41 5.08 0.00 2.72 2.83 0.00 0.00 7.19 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 94 T 8.03 3.98 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 95 E 8.52 4.42 0.00 1.96 1.88 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 2.27 2.27 0.00 96 T 8.16 4.28 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 97 S 8.32 4.78 0.00 3.81 3.73 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 98 V 8.19 4.05 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.