NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.1200 0.0000 0.0000 62.1851 32.7559 175.7275 6 A 4.0293 7.9519 121.5980 50.3711 19.2721 176.9415 7 R 3.8484 8.4863 120.5624 59.5623 31.1944 176.0312 8 E 4.1060 8.2025 114.5952 59.3566 29.6284 177.4876 9 Q 4.2157 7.7461 120.1840 55.7669 29.0701 175.2729 *11 I 4.0218 7.5320 108.7985 60.5278 39.0095 174.5904 12 S 4.8273 8.0528 114.8471 55.6743 67.5091 174.6269 13 A 4.0322 8.5668 122.9143 55.6868 17.9767 179.2471 14 Y 4.1221 8.0653 117.6662 60.7101 39.0277 177.8336 15 S 4.0665 8.1064 114.8615 61.6417 62.8501 176.4550 16 E 3.9525 8.3088 122.2075 58.7340 28.9355 178.9920 17 L 3.9565 7.6206 119.5519 58.3327 42.2807 179.1080 18 V 3.6807 7.2430 116.6854 64.1455 31.3554 176.7053 19 G 4.0433 7.3024 104.6307 44.9226 0.0000 173.2314 20 L 4.1844 7.6341 119.2584 54.8370 42.4072 177.0437 21 D 4.7166 9.1360 122.7103 51.2264 42.6828 172.0271 22 P 4.5068 0.0000 0.0000 63.0687 31.6429 175.4407 23 V 4.2886 8.7113 124.3221 64.1975 32.7696 175.6267 24 S 4.8288 7.7153 112.6354 57.7101 66.0731 172.6649 25 L 4.9185 7.5031 119.0104 54.4270 42.9014 174.8420 26 G 4.0899 9.6498 114.8439 47.3855 0.0000 172.7892 27 D 4.2617 9.0647 118.7452 55.6065 38.9177 174.2563 28 G 3.8728 8.6812 110.2532 45.7793 0.0000 171.0447 29 V 4.9998 7.7207 118.2323 60.8319 35.1644 174.2590 30 A 5.1840 8.8390 126.8162 50.3630 23.2118 174.4490 31 E 5.0876 9.2872 120.4869 54.4182 33.2909 174.8475 32 V 4.8182 8.8363 125.5940 61.2172 35.3597 173.9350 33 R 4.9669 9.0230 127.7294 54.8404 32.7560 174.9353 34 L 4.9177 8.7873 126.4820 51.7488 44.7953 173.7754 35 P 4.8606 0.0000 0.0000 62.2264 30.5278 177.5660 *37 A 4.0210 8.4174 119.1209 51.1990 19.7872 177.1347 38 A 3.9502 8.5581 122.5249 55.7850 18.3415 179.4456 39 H 4.5754 7.9333 107.1862 56.6354 28.6983 175.5957 40 L 4.4762 7.6583 119.5927 54.8710 42.1398 176.9397 41 R 4.3149 7.6221 119.0212 55.8501 30.9258 176.5415 42 N 4.9108 8.8340 120.2422 51.7305 39.7628 175.6784 43 R 3.9286 8.5922 115.9815 59.3857 30.1608 177.7572 44 G 3.7937 8.2353 104.5006 45.0798 0.0000 174.1010 45 G 3.8752 8.1812 107.0255 45.9344 0.0000 174.2761 46 V 4.1281 7.5148 109.9731 62.3523 34.8339 174.6139 *48 H 4.6927 7.7097 116.9885 55.7488 31.9482 174.2925 49 G 3.6226 8.4305 114.1221 48.1769 0.0000 175.9705 50 G 3.7645 8.5122 106.9785 47.5467 0.0000 175.5599 51 A 4.0904 8.0088 122.6172 54.9725 18.3214 179.5031 52 L 4.0204 7.9122 116.3804 58.0004 41.8280 179.2274 53 F 4.2371 8.6510 119.7123 61.3540 39.6382 176.9423 54 S 4.5575 8.6669 114.9681 61.5981 62.7087 176.5225 55 L 3.6429 7.9663 120.0543 56.5557 41.7616 177.7478 *57 D 4.4020 7.9111 117.3560 54.0746 43.0172 176.8542 58 V 3.8194 7.8563 118.5717 66.4410 31.7689 179.2317 59 T 4.1482 7.9950 114.5566 63.9814 67.7801 176.3887 *61 G 3.7457 8.2467 112.5063 45.6217 0.0000 176.0569 62 L 3.9211 8.1037 120.2519 57.2014 41.5199 179.4516 63 A 3.8716 7.9902 120.8316 55.2546 18.2656 179.3515 64 C 3.7461 7.5587 114.6101 63.0905 28.1645 176.3347 65 S 3.3796 7.7514 116.9146 61.3646 61.9860 177.0509 66 S 4.1847 7.7366 115.7258 60.9764 62.6930 176.3212 67 S 4.1733 7.2681 116.2937 61.2678 62.4672 175.1846 68 H 4.4865 7.8369 115.4765 55.2755 29.4728 176.0471 69 G 4.0245 7.7449 109.6240 46.0932 0.0000 174.4919 70 F 4.2421 8.7087 119.6417 58.7304 39.1658 175.8522 71 D 4.7176 8.0867 119.1648 53.6021 39.8384 175.9565 72 R 4.7358 7.7646 118.2167 54.5675 33.6723 174.4796 73 Q 4.9374 8.2134 117.4408 54.2859 32.3235 174.8416 74 S 5.2172 8.5570 115.0806 56.9935 66.6798 173.3137 75 V 4.6766 8.4725 112.8708 59.5977 36.1002 175.1749 76 T 2.7394 8.0615 119.9246 63.6781 68.1725 174.4170 77 L 4.3060 8.5126 127.8026 57.0837 42.0452 176.8779 78 E 4.7824 7.7171 113.8785 55.9986 32.5665 173.5059 79 C 4.9117 8.3961 119.2453 58.3528 34.9612 172.7529 80 K 4.7705 9.2073 125.0301 54.6705 35.1556 174.7050 81 I 5.0060 8.4596 125.9794 59.2639 41.4578 173.6845 82 N 4.9639 9.0744 125.3275 51.6499 41.5036 173.0153 83 Y 4.8147 8.5246 120.5191 57.0088 38.9264 175.0275 84 I 4.4077 9.0823 125.2451 62.2299 39.3818 176.4325 85 R 4.5923 7.8059 118.7372 54.1916 33.1705 174.1615 86 A 4.2743 8.4585 126.4913 51.7039 19.3708 177.0121 87 V 4.2877 8.2360 119.4708 61.1639 33.3615 175.1903 88 A 4.4804 8.4363 129.8297 53.1705 20.2654 175.2176 89 D 4.4282 7.9528 112.6950 53.7673 42.4197 176.8218 90 G 3.9210 8.9551 106.4629 45.9345 0.0000 172.6500 91 E 4.8962 8.4580 120.4846 54.6562 33.0221 174.8365 92 V 4.7772 8.4593 112.0050 59.6780 36.0849 174.8494 93 R 5.0094 8.8386 120.3855 54.6146 33.8813 174.1053 94 C 5.2046 9.2876 123.7214 57.5380 34.4690 172.4630 95 V 4.8648 8.7684 125.4128 61.0380 34.0236 173.9235 96 A 5.2395 8.9385 129.3241 50.1273 22.4059 174.8686 97 R 4.9666 8.7993 120.5669 54.2791 33.6384 174.4740 98 V 4.0365 8.8473 127.6280 63.2413 31.3026 175.6795 99 L 4.4407 8.9753 128.6305 56.6687 42.9157 176.8051 100 H 4.7677 7.9681 117.7421 54.8906 33.4569 172.1449 101 A 4.6928 8.5698 127.6126 50.1817 20.0231 175.7324 102 G 3.8992 8.6276 111.0044 44.4989 0.0000 172.3139 103 R 4.0200 8.5250 118.7721 58.4703 30.3305 177.1914 104 R 4.5569 7.9798 115.4213 56.3819 32.4463 175.3171 105 S 5.2548 7.6476 110.4706 56.8092 66.9978 173.0006 106 L 5.2859 9.1387 120.3131 53.0260 45.6764 175.5781 107 V 4.9037 8.6694 122.2445 61.2705 34.0132 174.6471 108 V 5.0105 8.8815 126.7981 61.0832 35.1971 173.8031 109 E 5.3053 8.9967 123.8189 54.8719 33.1643 174.3540 110 A 5.2053 8.8016 120.8597 50.8119 23.2242 175.0938 111 E 5.0928 9.1605 117.2984 54.4902 33.6372 174.5999 112 V 4.8349 8.8177 121.6948 61.3468 34.2247 174.6032 113 R 5.1214 9.0822 125.8712 54.3818 34.7469 174.2683 114 Q 4.5978 8.8623 123.1737 53.8286 31.0284 175.6831 115 G 3.7463 8.8450 118.2740 47.2024 0.0000 174.5239 116 D 4.5821 8.7719 123.9054 53.4456 40.1354 176.3951 117 K 4.2188 7.9613 121.6833 55.4688 32.8407 175.9226 118 L 4.3315 8.4667 126.0860 55.1481 42.9190 175.9165 119 V 4.3179 9.0418 125.8540 64.4058 33.6178 175.1611 120 A 5.0551 7.5551 119.2110 50.7515 22.7888 175.0252 121 K 4.9494 8.8275 120.4307 54.9414 36.1641 175.4315 122 G 4.5049 9.1701 112.6469 45.4023 0.0000 171.0811 123 Q 5.0502 9.1332 120.4390 54.7417 33.0488 173.7116 124 G 4.7488 9.3948 112.2244 45.4485 0.0000 171.1802 125 T 5.3965 9.1329 116.0184 61.6820 72.0033 173.6699 126 F 5.1376 9.6422 124.0877 55.5947 42.7854 174.0705 127 A 4.9521 8.8680 124.6697 50.6000 20.6750 176.1607 128 Q 4.3032 8.9069 125.6505 55.8139 29.8010 175.9312 129 L 4.3313 8.5732 126.0868 54.9384 41.4487 176.6690 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 5 P 0.00 4.12 0.00 1.71 1.43 0.00 3.33 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 6 A 7.95 4.03 1.29 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 0.00 0.00 7 R 8.49 3.85 0.00 1.72 2.00 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 8 E 8.20 4.11 0.00 2.12 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 0.00 2.25 2.30 0.00 9 Q 7.75 4.22 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 *11 I 7.53 4.02 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 1.77 0.84 0.93 0.00 0.00 12 S 8.05 4.83 0.00 4.09 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 13 A 8.57 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.12 0.00 3.08 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 15 S 8.11 4.07 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 16 E 8.31 3.95 0.00 2.21 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 0.00 2.33 2.54 0.00 17 L 7.62 3.96 0.00 1.69 1.74 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.24 3.68 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 0.80 0.00 0.00 0.29 0.00 0.00 19 G 7.30 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 20 L 7.63 4.18 0.00 1.55 1.62 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 D 9.14 4.72 0.00 2.73 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 22 P 0.00 4.51 0.00 1.98 2.00 0.00 3.70 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 2.04 2.11 0.00 23 V 8.71 4.29 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 0.78 0.00 0.00 0.99 0.00 0.00 24 S 7.72 4.83 0.00 3.89 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 25 L 7.50 4.92 0.00 1.67 1.67 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.65 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 27 D 9.06 4.26 0.00 2.73 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 28 G 8.68 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 29 V 7.72 5.00 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 0.99 0.00 0.00 0.91 0.00 0.00 30 A 8.84 5.18 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 31 E 9.29 5.09 0.00 1.98 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 2.18 2.37 0.00 32 V 8.84 4.82 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 0.80 0.00 0.00 0.94 0.00 0.00 33 R 9.02 4.97 0.00 1.89 1.86 0.00 3.47 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 34 L 8.79 4.92 0.00 1.74 1.47 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.86 0.00 2.21 1.55 0.00 3.99 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 1.97 1.95 0.00 *37 A 8.42 4.02 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 38 A 8.56 3.95 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 39 H 7.93 4.58 0.00 3.28 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.66 4.48 0.00 1.71 1.73 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.62 4.31 0.00 1.85 1.86 0.00 3.15 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 42 N 8.83 4.91 0.00 2.82 2.89 0.00 0.00 6.80 7.36 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 43 R 8.59 3.93 0.00 1.80 2.03 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 44 G 8.24 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.18 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 46 V 7.51 4.13 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 0.69 0.00 0.00 0.97 0.00 0.00 *48 H 7.71 4.69 0.00 3.39 3.21 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.43 3.62 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 0.00 0.00 0.00 50 G 8.51 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 0.00 0.00 0.00 51 A 8.01 4.09 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 52 L 7.91 4.02 0.00 2.14 1.99 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.24 0.00 3.22 3.39 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 54 S 8.67 4.56 0.00 4.22 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 55 L 7.97 3.64 0.00 1.76 1.90 0.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *57 D 7.91 4.40 0.00 2.13 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 58 V 7.86 3.82 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 1.02 0.00 0.00 1.06 0.00 0.00 59 T 7.99 4.15 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 1.27 0.00 0.00 *61 G 8.25 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.10 3.92 0.00 1.85 1.80 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.99 3.87 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 64 C 7.56 3.75 0.00 2.68 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 65 S 7.75 3.38 0.00 3.08 2.63 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 66 S 7.74 4.18 0.00 4.06 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 0.00 67 S 7.27 4.17 0.00 3.78 3.91 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 68 H 7.84 4.49 0.00 3.23 3.36 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.74 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.71 4.24 0.00 3.04 3.16 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 71 D 8.09 4.72 0.00 2.82 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 72 R 7.76 4.74 0.00 1.86 1.71 0.00 3.09 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 73 Q 8.21 4.94 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 74 S 8.56 5.22 0.00 4.09 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 75 V 8.47 4.68 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 0.75 0.00 0.00 0.90 0.00 0.00 76 T 8.06 2.74 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 0.86 0.00 0.00 77 L 8.51 4.31 0.00 1.65 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.72 4.78 0.00 2.04 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 2.26 2.34 0.00 79 C 8.40 4.91 0.00 3.05 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 80 K 9.21 4.77 0.00 1.82 1.60 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.51 7.81 81 I 8.46 5.01 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.98 0.86 0.00 0.00 82 N 9.07 4.96 0.00 2.62 2.64 0.00 0.00 6.90 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 83 Y 8.52 4.81 0.00 2.92 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 84 I 9.08 4.41 2.03 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 1.13 0.60 0.95 0.00 0.00 85 R 7.81 4.59 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 86 A 8.46 4.27 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 87 V 8.24 4.29 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 0.90 0.00 0.00 0.96 0.00 0.00 88 A 8.44 4.48 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 89 D 7.95 4.43 0.00 2.71 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 90 G 8.96 3.92 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 0.00 0.00 0.00 91 E 8.46 4.90 0.00 2.02 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 2.16 2.31 0.00 92 V 8.46 4.78 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 0.75 0.00 0.00 0.95 0.00 0.00 93 R 8.84 5.01 0.00 1.68 1.77 0.00 3.45 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 1.53 1.68 0.00 94 C 9.29 5.20 0.00 2.91 2.74 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 95 V 8.77 4.86 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 0.93 0.00 0.00 0.92 0.00 0.00 96 A 8.94 5.24 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 97 R 8.80 4.97 0.00 1.80 1.70 0.00 3.08 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 1.48 1.52 0.00 98 V 8.85 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 0.77 0.00 0.00 0.82 0.00 0.00 99 L 8.98 4.44 0.00 1.55 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.97 4.77 0.00 3.21 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.57 4.69 1.14 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 0.00 102 G 8.63 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 0.00 103 R 8.52 4.02 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 104 R 7.98 4.56 0.00 1.90 1.93 0.00 3.15 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 105 S 7.65 5.25 0.00 3.96 3.93 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 0.00 106 L 9.14 5.29 0.00 1.63 1.59 0.99 0.84 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 0.00 107 V 8.67 4.90 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 1.05 0.00 0.00 0.99 0.00 0.00 108 V 8.88 5.01 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 0.89 0.00 0.00 0.71 0.00 0.00 109 E 9.00 5.31 0.00 2.13 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 2.28 2.20 0.00 110 A 8.80 5.21 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 0.00 111 E 9.16 5.09 0.00 1.99 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 2.16 2.21 0.00 112 V 8.82 4.83 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 1.00 0.00 0.00 0.93 0.00 0.00 113 R 9.08 5.12 0.00 1.74 1.92 0.00 3.12 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 114 Q 8.86 4.60 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.82 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 115 G 8.84 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.77 4.58 0.00 2.80 2.79 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 0.00 0.00 0.00 117 K 7.96 4.22 0.00 1.97 1.78 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 118 L 8.47 4.33 0.00 1.59 1.58 0.99 0.93 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 0.00 119 V 9.04 4.32 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 0.98 0.00 0.00 0.99 0.00 0.00 120 A 7.56 5.06 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 0.00 121 K 8.83 4.95 0.00 1.83 1.55 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 122 G 9.17 4.50 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 0.00 0.00 0.00 123 Q 9.13 5.05 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 124 G 9.39 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 9.13 5.40 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 1.32 0.00 0.00 126 F 9.64 5.14 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 0.00 127 A 8.87 4.95 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 0.00 128 Q 8.91 4.30 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 129 L 8.57 4.33 0.00 1.63 1.54 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.