NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3847 8.1227 123.6033 52.5178 20.5816 178.9613 11 Y 3.7137 8.1696 115.0029 59.5614 39.0789 175.4917 12 F 4.6474 8.3064 116.5759 56.7445 40.4193 174.4205 13 Q 4.2120 7.5461 122.2086 57.8108 28.9183 176.9768 14 G 4.0577 9.3624 113.2372 45.4856 0.0000 172.9372 15 L 4.1523 8.1087 123.0633 54.9180 42.9207 174.6947 16 P 4.9966 0.0000 0.0000 62.8643 32.2946 175.9954 17 V 4.6453 8.8341 116.3622 59.8100 36.8529 173.9119 18 E 5.3304 9.4325 120.8465 54.7124 32.8403 175.5640 19 V 4.9713 9.0392 123.1422 60.8054 34.5643 174.4661 20 R 3.3883 8.7911 129.5774 55.9497 30.5355 176.7202 21 G 3.8833 8.9885 116.7073 44.8155 0.0000 174.1822 22 S 4.1332 8.2922 114.9952 61.0549 62.8460 175.4668 23 N 4.5586 8.0086 115.2993 53.0184 37.2595 175.8052 24 G 3.8417 7.8692 107.7705 45.5550 0.0000 174.1929 25 A 3.8077 7.0341 120.8996 51.6780 19.6507 176.2691 26 F 5.0171 8.5817 118.3343 55.9949 41.5433 174.7594 27 Y 5.0200 8.9565 120.8326 55.7975 41.5728 174.9189 28 K 4.5776 8.9669 124.6533 56.5392 33.8597 175.8907 29 G 4.0511 8.6212 113.1326 44.6508 0.0000 170.7093 30 F 5.5559 8.8493 117.6179 55.3038 42.7970 175.4039 31 V 4.1283 9.1397 124.0628 63.3308 32.1266 175.5749 32 K 4.4765 9.4031 128.6543 57.8367 33.6500 175.8292 33 D 5.0122 7.8425 117.8015 52.4151 45.6582 174.1975 34 V 4.5343 8.3600 120.3077 61.5913 33.3449 174.6316 35 H 4.9381 8.9971 127.3731 54.2589 31.4601 175.7653 36 E 4.1865 9.0168 118.0250 59.3999 29.7342 174.6151 37 D 5.4114 7.8360 113.3029 53.5149 42.7679 178.2417 38 S 4.4577 7.6938 111.2538 58.4960 66.7111 173.1627 39 V 4.6666 8.2020 112.3142 59.7339 35.4563 175.3404 40 T 4.8300 8.4714 120.7479 62.7698 70.0818 174.1062 41 I 4.8768 8.6318 118.8368 59.2643 42.1776 173.6178 42 F 5.0752 8.5026 120.8246 55.3884 41.2941 175.8861 43 F 4.5825 8.6194 122.0062 57.0067 40.1768 174.5955 44 E 4.2661 8.7390 122.9901 57.8514 29.9276 176.5253 45 N 4.4124 9.1023 120.5313 54.0550 36.2522 174.9708 46 N 4.9923 7.6064 117.0154 52.3630 39.3620 174.1157 47 W 4.0836 8.1570 118.6228 57.2413 29.9378 177.3812 48 Q 4.2107 8.2586 117.2065 56.9773 28.7550 175.3501 49 S 4.7246 7.9580 112.2783 55.9181 62.8327 173.2155 50 E 3.9815 8.6430 126.2606 56.3970 30.5002 176.5336 51 R 4.6340 8.4515 119.6408 54.5811 34.8187 173.6254 52 Q 4.9347 8.6219 123.8617 54.4451 30.9830 174.5427 53 I 4.6554 8.3933 127.0268 58.5070 40.8485 173.5699 54 P 4.6602 0.0000 0.0000 62.2941 32.2307 177.1970 55 F 4.0923 8.6312 119.7684 60.9224 38.9947 177.8595 56 G 3.8265 8.2266 107.2277 47.5063 0.0000 173.3200 57 D 4.9062 8.3990 119.5877 53.9031 42.4319 175.7284 58 V 5.1017 7.9820 120.1548 61.0726 34.4913 174.6332 59 R 5.0471 8.8983 122.6722 54.2305 33.3131 174.4072 60 L 4.5368 8.3946 119.4220 53.8801 42.6239 175.3754 61 P 4.4234 0.0000 0.0000 61.2499 32.2181 174.6286 62 P 4.4551 0.0000 0.0000 61.6053 31.7764 175.0788 63 P 4.2432 0.0000 0.0000 63.2637 31.7411 177.0698 64 A 4.1751 8.0708 124.7404 50.4914 17.4336 174.5461 *69 E 3.9795 8.0636 118.7427 55.6222 30.5463 175.3932 70 I 4.2521 8.3917 128.0451 60.8863 37.8781 175.3372 71 T 4.8096 8.9284 115.1857 58.9824 71.7717 173.2037 72 E 4.1225 8.6361 121.3805 58.4325 29.8933 177.0124 73 G 4.1373 9.3353 111.0468 45.4628 0.0000 174.0564 74 D 4.5398 7.9213 121.8661 55.0471 41.9145 176.8515 75 E 4.6856 8.7291 120.8995 56.9425 30.7154 174.7172 76 V 4.6166 8.7729 116.1294 59.4509 37.2990 173.5840 77 E 5.5295 9.1816 120.4921 54.7609 32.8468 175.9828 78 V 5.1165 9.1466 122.2392 60.2162 34.8210 174.1793 79 Y 4.3821 8.7144 125.7060 56.8154 38.7749 174.4680 80 S 4.6329 8.9823 122.2166 57.3622 68.2418 173.3209 81 R 5.0642 8.3302 119.4772 54.7285 31.7534 176.4045 82 A 3.7104 8.8579 127.0540 54.3383 19.6109 178.1052 *86 E 4.0985 7.7943 110.1443 54.8269 31.1825 177.7612 87 P 4.6135 0.0000 0.0000 62.9278 32.3724 175.9423 88 C 4.3596 8.2712 117.0140 60.0121 28.7358 173.1081 89 G 3.4548 8.4964 108.2073 44.2664 0.0000 171.2313 90 W 5.2641 8.8508 120.6122 55.5510 30.4364 175.8523 91 W 5.1350 9.5732 125.6305 54.4807 31.6835 175.3445 92 L 4.6708 8.8319 125.9462 55.4758 43.0541 175.5356 93 A 5.1466 9.3736 129.3423 51.5870 23.6822 175.1658 94 R 5.0528 8.9545 118.2813 55.1296 34.0229 172.8934 95 V 4.3324 8.5619 123.5480 62.0701 31.4482 176.7457 96 R 3.9238 9.0884 131.3576 58.8919 31.0696 178.2499 *99 K 3.9924 8.0094 120.2898 55.1317 34.2416 180.1477 100 G 3.7363 8.2178 113.1821 46.3312 0.0000 173.6896 101 D 4.8712 8.5848 121.0557 53.5718 41.0350 174.9127 102 F 5.4813 7.8228 118.2219 56.1729 40.9242 174.8677 103 Y 4.6081 9.3245 121.2670 56.1580 40.9054 174.7245 104 V 4.7874 8.5059 124.6954 61.5216 33.1835 174.4707 105 I 5.1401 9.0874 124.2046 59.6927 41.1610 174.7934 106 E 5.0134 8.9835 121.1835 54.9324 33.6337 175.7956 107 Y 4.7181 8.7435 121.3411 56.7461 38.8837 176.9078 108 A 4.0852 9.0263 126.3848 55.0242 18.7036 178.7997 109 A 4.4585 8.3996 119.4446 54.6952 20.5613 177.7100 110 C 4.7936 8.1070 108.3281 58.0549 28.2134 182.0425 *115 N 5.0172 9.2070 110.1973 54.1691 39.9402 173.5775 116 E 4.7413 9.0906 121.9639 54.7393 33.8624 173.7960 117 I 4.8534 8.3404 126.3934 60.2311 38.5358 175.3241 118 V 4.7789 9.1685 119.9947 59.8806 36.6819 174.7409 119 T 5.2176 8.2816 111.8915 60.0096 71.3817 175.4779 120 L 3.5918 8.7708 125.1945 58.3999 42.3665 179.1099 121 E 4.0227 8.3728 113.8842 59.0601 29.6574 181.5969 122 R 4.3579 8.1021 115.2435 57.2834 30.3694 175.7096 123 L 5.7499 7.8638 117.7891 53.1914 45.2648 175.8419 124 R 4.6455 8.5801 115.7900 54.2371 33.0200 172.7733 125 P 4.5834 0.0000 0.0000 62.1791 32.2577 176.6558 126 V 3.5789 8.2398 121.8605 62.8050 31.8902 175.4539 127 N 4.1322 8.6875 126.3211 53.3721 38.8838 173.0216 128 P 4.3783 0.0000 0.0000 64.1600 32.1094 176.2624 129 N 4.4211 8.5830 118.8098 52.4497 38.8682 173.2852 130 P 4.5649 0.0000 0.0000 61.4598 32.7117 175.9171 131 L 4.2252 8.2884 118.8900 54.7740 42.1624 177.4541 132 A 4.1629 8.9444 124.5063 52.6594 18.2134 177.4545 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 10 A 8.12 4.38 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 11 Y 8.17 3.71 0.00 2.86 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 12 F 8.31 4.65 0.00 3.23 3.11 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 13 Q 7.55 4.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 14 G 9.36 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 15 L 8.11 4.15 0.00 2.15 1.77 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 5.00 0.00 2.09 2.18 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.52 0.00 17 V 8.83 4.65 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 0.89 0.00 0.00 0.84 0.00 0.00 18 E 9.43 5.33 0.00 1.87 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 2.29 2.20 0.00 19 V 9.04 4.97 2.34 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 1.10 0.00 0.00 0.79 0.00 0.00 20 R 8.79 3.39 0.00 1.26 1.61 0.00 3.19 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.00 21 G 8.99 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 22 S 8.29 4.13 0.00 3.81 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 23 N 8.01 4.56 0.00 3.02 3.01 0.00 0.00 6.15 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 24 G 7.87 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 25 A 7.03 3.81 -0.47 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 26 F 8.58 5.02 0.00 3.00 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 27 Y 8.96 5.02 0.00 2.99 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 28 K 8.97 4.58 0.00 2.00 1.94 0.00 1.82 0.00 0.00 2.21 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.01 1.26 7.81 29 G 8.62 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 0.00 0.00 0.00 0.00 30 F 8.85 5.56 0.00 3.17 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 31 V 9.14 4.13 2.38 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 1.12 0.00 0.00 1.00 0.00 0.00 32 K 9.40 4.48 0.00 1.76 1.79 0.00 2.00 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 33 D 7.84 5.01 0.00 2.54 2.35 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 0.00 34 V 8.36 4.53 1.97 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 0.83 0.00 0.00 0.53 0.00 0.00 35 H 9.00 4.94 0.00 3.28 3.21 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 36 E 9.02 4.19 0.00 1.98 1.87 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 2.23 1.88 0.00 37 D 7.84 5.41 0.00 2.35 2.61 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 38 S 7.69 4.46 0.00 3.72 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 39 V 8.20 4.67 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 0.31 0.00 0.00 0.64 0.00 0.00 40 T 8.47 4.83 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 1.03 0.00 0.00 41 I 8.63 4.88 1.63 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.36 0.68 0.00 0.00 42 F 8.50 5.08 0.00 2.81 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 43 F 8.62 4.58 0.00 2.96 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 44 E 8.74 4.27 0.00 2.16 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 2.53 2.71 0.00 45 N 9.10 4.41 0.00 2.97 2.97 0.00 0.00 6.69 8.00 0.00 0.00 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 N 7.61 4.99 0.00 2.65 2.74 0.00 0.00 7.11 7.66 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 47 W 8.16 4.08 0.00 3.21 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 48 Q 8.26 4.21 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 49 S 7.96 4.72 0.00 3.88 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 50 E 8.64 3.98 0.00 1.66 1.35 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 2.27 2.27 0.00 51 R 8.45 4.63 0.00 1.45 1.76 0.00 3.32 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 52 Q 8.62 4.93 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 53 I 8.39 4.66 1.65 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 1.01 0.67 0.82 0.00 0.00 54 P 0.00 4.66 0.00 2.21 2.14 0.00 3.66 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 2.14 1.96 0.00 55 F 8.63 4.09 0.00 3.19 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 56 G 8.23 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 57 D 8.40 4.91 0.00 2.73 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 58 V 7.98 5.10 2.35 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 1.03 0.00 0.00 0.84 0.00 0.00 59 R 8.90 5.05 0.00 1.89 1.93 0.00 2.59 0.00 0.00 2.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 60 L 8.39 4.54 0.00 1.54 1.64 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.42 0.00 2.00 1.95 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 62 P 0.00 4.46 0.00 1.88 1.81 0.00 3.52 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 63 P 0.00 4.24 0.00 1.99 1.98 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 64 A 8.07 4.18 1.24 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 0.00 0.00 *69 E 8.06 3.98 0.00 1.97 1.94 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 2.22 2.36 0.00 70 I 8.39 4.25 1.93 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 1.45 0.84 0.96 0.00 0.00 71 T 8.93 4.81 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 1.28 0.00 0.00 72 E 8.64 4.12 0.00 1.99 1.97 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 2.33 2.34 0.00 73 G 9.34 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.92 4.54 0.00 2.83 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 75 E 8.73 4.69 0.00 1.75 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 2.23 1.91 0.00 76 V 8.77 4.62 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 0.68 0.00 0.00 0.94 0.00 0.00 77 E 9.18 5.53 0.00 1.87 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 0.00 2.35 2.24 0.00 78 V 9.15 5.12 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 0.89 0.00 0.00 1.04 0.00 0.00 79 Y 8.71 4.38 0.00 1.43 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 80 S 8.98 4.63 0.00 3.57 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 81 R 8.33 5.06 0.00 1.59 1.79 0.00 3.15 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 82 A 8.86 3.71 1.18 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 *86 E 7.79 4.10 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 87 P 0.00 4.61 0.00 2.22 2.02 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 88 C 8.27 4.36 0.00 2.24 1.18 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 89 G 8.50 3.45 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 0.00 90 W 8.85 5.26 0.00 3.38 3.25 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 91 W 9.57 5.13 0.00 3.48 3.42 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 0.00 92 L 8.83 4.67 0.00 1.94 1.71 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.37 5.15 0.95 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 94 R 8.95 5.05 0.00 1.43 1.73 0.00 3.26 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 95 V 8.56 4.33 2.16 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 1.04 0.00 0.00 1.03 0.00 0.00 96 R 9.09 3.92 0.00 1.74 1.98 0.00 3.26 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 *99 K 8.01 3.99 0.00 1.71 1.75 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 100 G 8.22 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.58 4.87 0.00 2.49 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.82 5.48 0.00 3.01 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 0.00 103 Y 9.32 4.61 0.00 3.04 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 0.00 104 V 8.51 4.79 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 1.11 0.00 0.00 0.93 0.00 0.00 105 I 9.09 5.14 1.72 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.94 0.00 0.00 106 E 8.98 5.01 0.00 1.60 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 2.12 2.12 0.00 107 Y 8.74 4.72 0.00 2.87 2.95 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 0.00 108 A 9.03 4.09 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 0.00 0.00 0.00 0.00 0.00 109 A 8.40 4.46 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.11 4.79 0.00 2.70 2.19 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 0.00 *115 N 9.21 5.02 0.00 2.64 2.83 0.00 0.00 6.48 7.66 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 0.00 116 E 9.09 4.74 0.00 2.16 1.81 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 2.24 2.31 0.00 117 I 8.34 4.85 1.74 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 1.24 0.65 0.59 0.00 0.00 118 V 9.17 4.78 2.15 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 0.82 0.00 0.00 1.04 0.00 0.00 119 T 8.28 5.22 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 1.50 0.00 0.00 120 L 8.77 3.59 0.00 1.74 1.74 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.37 4.02 0.00 2.02 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 2.24 1.92 0.00 122 R 8.10 4.36 0.00 2.11 2.05 0.00 3.09 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 123 L 7.86 5.75 0.00 1.35 1.48 0.45 0.69 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 0.00 124 R 8.58 4.65 0.00 1.59 1.70 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.21 0.00 125 P 0.00 4.58 0.00 1.87 1.97 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 126 V 8.24 3.58 2.03 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 0.70 0.00 0.00 0.89 0.00 0.00 127 N 8.69 4.13 0.00 2.41 2.44 0.00 0.00 7.26 7.22 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 0.00 128 P 0.00 4.38 0.00 2.16 2.09 0.00 3.70 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 1.91 1.91 0.00 129 N 8.58 4.42 0.00 2.84 2.74 0.00 0.00 6.98 8.06 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 0.00 130 P 0.00 4.56 0.00 2.17 2.02 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 131 L 8.29 4.23 0.00 1.72 1.74 1.04 1.17 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 0.00 132 A 8.94 4.16 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 * Residues marked with a * may have inaccurate shift predictions.