NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4100 8.2644 123.6001 52.0408 19.9658 175.7824 2 V 4.0390 8.3397 121.7397 60.0337 32.8371 173.2606 3 T 4.6762 8.6793 116.2778 59.0365 72.8128 174.3634 4 V 2.6357 7.4940 120.4019 64.2443 30.7568 176.6293 5 D 4.6485 7.5079 117.5326 54.0943 41.2053 176.7116 6 T 4.0204 7.6588 117.5409 63.3632 68.9777 173.9303 7 I 4.3044 8.1605 126.4532 60.2604 38.5976 176.2616 8 C 5.1920 8.2560 125.4001 55.5563 41.6919 173.3624 *10 N 4.4493 8.4612 113.6987 53.5780 39.5149 173.3213 11 G 4.2294 7.4235 103.6314 46.1474 0.0000 172.9859 12 Q 4.6977 8.4975 119.9086 53.9883 32.5761 174.3851 13 L 4.7053 8.6679 128.4901 55.1267 42.9330 176.1004 14 V 4.8750 8.4588 123.7164 60.1675 35.6369 173.7262 15 Q 4.3968 9.0401 122.3276 54.6057 31.3604 174.8587 16 M 4.6723 8.0747 126.0825 53.4038 34.8313 175.3944 17 S 4.2601 8.6817 113.8191 61.6087 62.9679 174.8824 18 N 4.9673 8.3614 114.7939 52.3741 39.7670 172.8919 19 H 4.7176 7.5503 113.4481 55.0923 31.0863 171.6833 20 F 5.4047 8.3177 117.2863 54.6698 41.9361 175.4613 *22 C 4.6598 8.3831 117.6218 57.4501 41.7033 173.2878 23 M 4.7109 8.8242 124.5881 53.7299 33.3681 175.3224 24 C 4.7597 8.7180 121.3425 56.6505 42.6310 173.5040 25 N 4.5900 9.0075 119.5441 52.8082 39.6789 174.2307 26 E 3.8856 8.6960 121.0200 58.3864 29.7842 177.1979 27 G 4.0179 8.9889 114.6500 45.3116 0.0000 173.3076 28 L 4.4846 7.4594 118.5829 54.4511 42.8692 176.4381 29 V 4.4311 8.6629 113.1042 59.4587 36.3722 175.0026 30 H 4.4291 8.8564 119.8402 55.6549 28.4536 176.7148 31 L 3.8878 8.3828 127.1519 57.3421 42.3043 176.1539 32 S 4.7817 7.4794 111.0460 56.7350 65.9758 174.0643 33 E 4.3697 9.1815 119.2142 58.9901 29.1331 177.8474 34 N 5.0332 8.2408 113.1660 52.3712 38.2590 173.3060 35 T 4.7218 7.9541 116.4954 62.3118 71.6853 172.1724 36 C 5.3286 8.7929 123.4835 55.4551 39.3662 172.9021 37 E 4.6754 8.9866 120.7307 54.6876 34.1374 176.4250 38 E 4.3007 8.4991 119.2691 55.9040 29.2193 176.6234 *40 N 4.4649 8.4981 120.1674 53.9392 39.9009 173.2957 41 E 4.2512 8.4148 121.5532 55.9259 30.5351 176.8830 42 C 4.5960 8.3474 122.0806 55.4099 40.4598 173.5945 *45 E 4.0481 8.6380 124.6678 55.8404 30.6902 176.7918 46 T 4.4122 7.3812 106.6535 60.5288 69.4740 173.3014 47 L 3.7525 7.6449 123.6419 57.3550 42.5207 176.7997 48 G 3.4954 8.5962 113.4873 46.1227 0.0000 173.4088 *50 A 4.2942 7.5601 119.3803 52.0537 19.8772 175.9358 51 C 5.4026 8.5690 113.3798 52.8485 43.6404 173.8812 52 G 3.8814 7.3540 110.0680 45.3259 0.0000 171.6529 53 E 3.9220 8.4844 119.0306 57.4153 29.3607 177.1201 54 F 3.7919 8.9475 123.3954 58.3166 37.3742 174.8098 55 G 4.5403 8.0310 106.3434 44.5003 0.0000 172.4339 56 Q 4.8978 9.2011 123.0319 53.8326 33.0756 173.6143 57 C 4.8773 8.8492 123.6625 57.3053 39.7067 172.7013 58 I 5.1167 8.2658 115.7227 58.8232 41.5300 174.2794 59 E 4.1448 8.8015 122.2453 55.7869 29.8565 176.6607 60 N 4.2846 8.4783 122.3557 53.2782 39.0951 173.2518 61 P 4.2142 0.0000 0.0000 64.7044 31.2287 175.4687 62 D 4.7202 8.2956 119.1653 51.8156 40.8969 174.6151 63 P 4.3418 0.0000 0.0000 64.1320 31.6327 177.8089 64 A 4.1483 7.9432 120.5173 53.7805 18.5841 177.7749 65 Q 4.3878 7.3804 114.8036 54.6487 29.7121 176.6951 66 V 3.6136 8.3561 120.8917 64.4839 31.5313 176.0557 67 N 4.2803 8.0742 118.7358 54.0319 39.0755 174.1580 68 M 4.0157 8.7048 126.2007 57.4783 32.6781 175.1951 69 Y 5.3710 7.2434 114.2679 55.3198 41.0475 175.2747 *71 C 4.5200 8.6147 120.3570 57.4853 41.4129 174.0244 72 G 4.2528 9.0635 113.7341 44.6712 0.0000 170.4348 73 C 5.1532 8.7652 121.4500 56.5254 36.6700 173.7183 74 I 4.0675 8.7104 117.4828 60.2425 38.9619 174.9038 75 E 4.1871 8.6396 123.6283 57.7585 29.9404 176.8676 76 G 3.9984 9.3962 114.0577 44.8843 0.0000 171.8844 77 Y 5.0725 7.6418 115.8698 56.6244 41.4774 174.9305 78 T 4.7970 9.1353 117.0734 61.9921 73.7672 173.4681 79 L 4.8949 8.2218 122.9515 53.4943 43.1817 177.0466 *81 E 4.0089 8.1061 117.0540 56.9041 30.4004 176.9486 82 D 4.4240 8.2893 113.3140 55.0676 39.1768 174.1129 83 T 4.6848 7.3075 112.0664 60.1312 70.5418 172.0491 84 C 4.9480 8.8461 124.4789 57.0814 36.2950 173.3230 85 V 4.7392 9.1388 116.9545 58.7601 35.8553 175.1067 86 L 3.4743 8.2230 121.3543 55.0322 41.9847 178.1855 87 D 4.2327 8.8258 123.7728 57.9234 40.9105 179.4849 88 V 3.7975 7.4845 108.5129 62.8412 31.7310 177.1165 89 C 4.7319 8.1847 117.5883 56.3748 40.5406 175.0588 90 Q 3.5291 7.9800 122.7055 58.5565 28.3457 176.1214 91 Y 4.4625 7.1779 113.2021 55.8350 39.0645 174.2623 *93 N 4.4135 8.4772 122.5377 53.7920 39.6009 174.6462 94 C 4.5665 9.0227 121.7459 56.4514 37.2866 174.5141 95 G 4.0548 8.9581 106.6319 45.0889 0.0000 174.5753 96 E 4.0983 8.4076 117.1941 58.4368 29.8625 178.2531 97 S 4.6285 8.0998 114.2661 58.0283 63.0708 172.9915 98 G 4.5898 7.8041 107.3368 44.5272 0.0000 172.1832 99 E 4.8099 8.8083 119.7285 54.5098 33.3623 173.3865 100 C 5.0176 8.8559 127.4839 56.5743 43.3689 172.1885 101 I 4.6761 8.5170 118.5647 58.7771 41.4644 174.1643 102 V 4.0115 8.1392 122.4308 62.4480 32.5022 174.6531 103 E 4.4340 9.0867 129.3514 54.6312 31.4398 174.7281 104 Y 4.3055 8.6877 126.1892 57.3943 38.0184 175.7610 105 L 4.5070 8.5266 125.6127 53.1301 44.0358 178.8013 106 S 3.5996 8.6145 108.7490 62.4016 62.2632 174.7445 107 E 4.5204 9.0472 116.2336 55.5676 30.4426 176.0226 108 I 4.6496 7.3653 118.9888 59.4258 40.9979 174.4117 109 Q 4.1523 8.5747 123.9629 55.8876 29.3822 175.2178 110 S 4.7270 8.5160 116.6105 56.4146 66.9284 171.9479 111 A 4.8137 8.5046 124.5822 50.7294 20.0517 176.6646 112 G 4.2551 9.0010 109.6573 44.5700 0.0000 170.6438 113 C 5.6415 8.6473 115.7163 55.1488 44.2814 174.0005 114 S 4.8323 8.9404 115.1139 56.9132 65.8144 172.1206 115 C 5.6371 9.3314 122.5775 54.5394 44.0383 173.3919 116 A 4.5749 8.4518 122.7203 51.9774 18.8089 177.8038 117 I 3.4543 8.2455 122.3937 61.9642 37.7634 176.5639 118 G 4.0696 8.8566 116.7795 45.0861 0.0000 173.5685 *120 V 4.1015 7.5410 111.1810 59.6737 32.7129 173.8120 121 P 4.1204 0.0000 0.0000 63.1024 31.6566 175.8409 122 N 4.6863 8.5810 121.8597 51.2872 38.6399 173.4755 123 P 4.4356 0.0000 0.0000 64.2436 31.5162 176.6342 124 E 4.5210 8.3014 116.1236 56.2299 30.6137 175.3660 125 D 4.8128 7.7713 117.7568 54.4378 41.3374 175.4931 126 E 3.6311 8.2432 121.9577 58.8109 29.8796 177.2623 *129 C 4.6888 7.7607 111.6029 57.5721 41.4695 175.6523 130 T 4.3382 7.2758 109.8018 59.9580 68.3038 173.7848 *132 T 4.2470 7.6092 120.7654 63.7349 69.9720 174.2441 133 G 4.1314 8.2397 114.3332 45.2715 0.0000 172.0991 134 E 4.5734 8.7239 120.9018 54.8396 31.4044 175.5331 135 T 4.6752 8.1384 109.6425 59.5401 71.8197 173.4250 136 A 4.1725 8.3502 125.9463 51.7361 19.3153 178.1891 137 C 4.1915 8.0368 121.8231 56.7493 44.1638 173.3900 138 Q 4.6146 9.6008 122.5041 55.5025 31.7958 177.4842 139 L 4.5339 7.6007 122.3420 54.4713 40.8930 178.0771 *141 C 4.3645 8.4809 124.5039 57.3560 39.9478 173.2767 142 N 4.4340 8.3863 120.0565 53.8894 37.1360 175.7770 143 T 3.9646 8.2181 116.0956 63.7194 69.2042 175.7424 144 D 4.4837 7.9962 122.1222 57.0657 41.0293 176.8894 145 N 3.8449 7.6745 111.5244 52.2300 39.9997 173.8148 146 E 5.2234 8.5859 118.7997 54.7595 33.6353 175.3824 147 V 4.5276 9.1536 121.6332 60.0630 35.1407 174.1626 148 C 4.6570 8.6162 122.0062 56.0059 45.0190 172.5394 *150 N 4.2777 8.4729 120.4563 53.4619 38.8432 174.1924 151 V 4.0775 8.2471 126.8861 61.6237 32.2255 175.0762 152 E 3.4853 9.3704 129.5315 57.4274 26.4559 176.0918 153 G 3.9175 8.3700 107.1721 45.1422 0.0000 173.7483 154 V 4.6128 6.9743 111.3728 59.4150 34.7946 175.0449 155 Y 4.7625 8.3725 121.5001 57.7876 39.8303 173.8521 *157 C 4.9604 8.4475 116.6751 57.3282 39.5582 173.8198 158 Q 4.8038 9.2373 122.5827 53.5839 32.6797 174.4765 159 C 4.7217 8.9167 118.9736 57.7733 41.9112 173.8997 160 M 4.2708 8.5729 123.2145 55.2461 33.0566 175.7070 161 E 4.2846 8.7442 122.7596 57.3874 30.1760 176.2248 162 G 4.0778 9.0257 114.9250 45.4469 0.0000 173.4682 163 F 5.1583 8.2695 117.9258 55.7849 40.5741 175.9234 164 T 4.6954 8.5143 118.6998 62.2464 71.1662 173.0579 165 F 5.1598 8.7642 126.2979 57.0801 40.8444 174.9223 166 D 4.4739 8.0344 126.4534 52.5608 43.1712 176.4512 *168 E 4.1925 8.4563 116.4904 56.3849 30.9384 175.8372 *170 N 4.5593 7.8661 114.3380 53.9744 39.9866 173.8240 171 V 4.6126 6.9481 115.2236 61.3234 35.9761 173.4455 172 C 5.5539 8.7996 121.2132 55.3095 36.6166 173.3022 173 L 4.8591 9.0929 123.7677 53.0264 43.5938 176.7247 174 G 3.7160 8.6977 109.6872 44.9144 0.0000 171.8463 175 P 4.3681 0.0000 0.0000 62.6476 31.3057 176.7543 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 A 8.26 4.41 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.34 4.04 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 3 T 8.68 4.68 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 1.18 0.00 0.00 4 V 7.49 2.64 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 0.58 0.00 0.00 0.82 0.00 0.00 5 D 7.51 4.65 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.66 4.02 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 1.23 0.00 0.00 7 I 8.16 4.30 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 1.41 0.52 0.92 0.00 0.00 8 C 8.26 5.19 0.00 2.97 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 *10 N 8.46 4.45 0.00 2.93 2.84 0.00 0.00 6.59 7.59 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 11 G 7.42 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 0.00 0.00 0.00 0.00 12 Q 8.50 4.70 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 13 L 8.67 4.71 0.00 1.71 1.59 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.46 4.87 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 0.77 0.00 0.00 1.02 0.00 0.00 15 Q 9.04 4.40 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.54 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 16 M 8.07 4.67 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 17 S 8.68 4.26 0.00 3.95 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 18 N 8.36 4.97 0.00 2.76 2.83 0.00 0.00 6.87 8.37 0.00 0.00 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 H 7.55 4.72 0.00 3.34 3.35 0.00 5.40 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 20 F 8.32 5.40 0.00 3.05 3.03 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 0.00 0.00 0.00 *22 C 8.38 4.66 0.00 3.21 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 23 M 8.82 4.71 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 24 C 8.72 4.76 0.00 2.74 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 25 N 9.01 4.59 0.00 2.67 2.73 0.00 0.00 6.73 7.91 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 26 E 8.70 3.89 0.00 1.90 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 2.29 2.34 0.00 27 G 8.99 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 28 L 7.46 4.48 0.00 1.53 1.75 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.66 4.43 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 0.70 0.00 0.00 0.96 0.00 0.00 30 H 8.86 4.43 0.00 1.78 2.44 0.00 5.81 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.38 3.89 0.00 1.56 1.64 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.48 4.78 0.00 4.07 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 33 E 9.18 4.37 0.00 2.12 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 0.00 2.50 2.63 0.00 34 N 8.24 5.03 0.00 3.05 3.05 0.00 0.00 6.63 6.89 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 35 T 7.95 4.72 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 1.20 0.00 0.00 36 C 8.79 5.33 0.00 2.89 2.84 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 37 E 8.99 4.68 0.00 1.76 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 2.40 0.00 38 E 8.50 4.30 0.00 1.92 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 2.29 2.31 0.00 *40 N 8.50 4.46 0.00 2.93 2.72 0.00 0.00 6.52 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 41 E 8.41 4.25 0.00 1.91 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 2.27 2.32 0.00 42 C 8.35 4.60 0.00 3.01 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 *45 E 8.64 4.05 0.00 1.93 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 2.19 2.28 0.00 46 T 7.38 4.41 4.16 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 1.14 0.00 0.00 47 L 7.64 3.75 0.00 1.45 1.60 1.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.60 3.50 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 *50 A 7.56 4.29 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 51 C 8.57 5.40 0.00 3.06 3.17 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 52 G 7.35 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 53 E 8.48 3.92 0.00 1.99 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 2.27 2.28 0.00 54 F 8.95 3.79 0.00 3.04 2.40 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 55 G 8.03 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 9.20 4.90 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 57 C 8.85 4.88 0.00 3.06 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 58 I 8.27 5.12 1.92 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 1.39 1.01 0.98 0.00 0.00 59 E 8.80 4.14 0.00 2.00 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 2.28 2.40 0.00 60 N 8.48 4.28 0.00 2.66 2.70 0.00 0.00 7.21 7.04 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 61 P 0.00 4.21 0.00 2.22 2.19 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 62 D 8.30 4.72 0.00 2.76 2.59 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 63 P 0.00 4.34 0.00 2.06 2.05 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 64 A 7.94 4.15 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 0.00 0.00 0.00 0.00 0.00 65 Q 7.38 4.39 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 66 V 8.36 3.61 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 0.68 0.00 0.00 0.93 0.00 0.00 67 N 8.07 4.28 0.00 2.69 2.80 0.00 0.00 7.01 7.65 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 68 M 8.70 4.02 0.00 1.45 1.79 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 69 Y 7.24 5.37 0.00 2.95 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 *71 C 8.61 4.52 0.00 3.02 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 72 G 9.06 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 0.00 0.00 0.00 0.00 73 C 8.77 5.15 0.00 2.94 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 74 I 8.71 4.07 1.91 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 1.07 0.51 1.02 0.00 0.00 75 E 8.64 4.19 0.00 2.01 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 2.34 2.35 0.00 76 G 9.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.64 5.07 0.00 2.97 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 78 T 9.14 4.80 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 79 L 8.22 4.89 0.00 1.53 1.62 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 8.11 4.01 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 2.30 2.33 0.00 82 D 8.29 4.42 0.00 2.84 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 83 T 7.31 4.68 4.28 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 1.29 0.00 0.00 84 C 8.85 4.95 0.00 3.28 3.18 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 85 V 9.14 4.74 2.05 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 0.83 0.00 0.00 0.95 0.00 0.00 86 L 8.22 3.47 0.00 1.34 1.22 0.74 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.83 4.23 0.00 2.49 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 88 V 7.48 3.80 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 0.56 0.00 0.00 0.82 0.00 0.00 89 C 8.18 4.73 0.00 3.00 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 90 Q 7.98 3.53 0.00 1.75 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.92 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 91 Y 7.18 4.46 0.00 3.04 2.81 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 *93 N 8.48 4.41 0.00 2.73 2.79 0.00 0.00 7.15 7.65 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 94 C 9.02 4.57 0.00 2.98 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 95 G 8.96 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 96 E 8.41 4.10 0.00 1.95 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 2.31 2.39 0.00 97 S 8.10 4.63 0.00 4.05 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 98 G 7.80 4.59 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 0.00 0.00 0.00 99 E 8.81 4.81 0.00 2.04 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 2.20 2.28 0.00 100 C 8.86 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 0.00 101 I 8.52 4.68 1.76 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 1.02 1.09 0.62 0.00 0.00 102 V 8.14 4.01 1.69 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 -0.26 0.00 0.00 0.66 0.00 0.00 103 E 9.09 4.43 0.00 1.96 1.73 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 2.21 2.26 0.00 104 Y 8.69 4.31 0.00 2.90 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 0.00 105 L 8.53 4.51 0.00 1.79 1.59 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.61 3.60 0.00 3.99 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 0.00 107 E 9.05 4.52 0.00 1.98 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 2.28 2.27 0.00 108 I 7.37 4.65 1.86 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 1.29 0.86 0.89 0.00 0.00 109 Q 8.57 4.15 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 110 S 8.52 4.73 0.00 3.82 3.63 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 0.00 111 A 8.50 4.81 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 0.00 112 G 9.00 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 0.00 0.00 0.00 0.00 113 C 8.65 5.64 0.00 2.81 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 0.00 114 S 8.94 4.83 0.00 3.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.33 5.64 0.00 2.80 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 0.00 116 A 8.45 4.57 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 0.00 117 I 8.25 3.45 1.50 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.27 0.62 0.00 0.00 118 G 8.86 4.07 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 0.00 0.00 0.00 *120 V 7.54 4.10 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 0.74 0.00 0.00 0.93 0.00 0.00 121 P 0.00 4.12 0.00 2.03 2.00 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 122 N 8.58 4.69 0.00 2.71 2.71 0.00 0.00 6.97 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 0.00 123 P 0.00 4.44 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 124 E 8.30 4.52 0.00 2.09 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 2.39 2.20 0.00 125 D 7.77 4.81 0.00 2.57 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 0.00 126 E 8.24 3.63 0.00 2.09 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 0.00 2.22 2.36 0.00 *129 C 7.76 4.69 0.00 3.08 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 0.00 130 T 7.28 4.34 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 1.22 0.00 0.00 *132 T 7.61 4.25 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 1.21 0.00 0.00 133 G 8.24 4.13 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 0.00 0.00 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0.00 0.00 0.00 0.00 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 0.00 144 D 8.00 4.48 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 7.67 3.84 0.00 2.44 2.67 0.00 0.00 6.04 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 0.00 146 E 8.59 5.22 0.00 1.91 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 2.22 2.18 0.00 147 V 9.15 4.53 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 0.82 0.00 0.00 0.91 0.00 0.00 148 C 8.62 4.66 0.00 2.96 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 *150 N 8.47 4.28 0.00 2.35 2.73 0.00 0.00 6.73 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 0.00 151 V 8.25 4.08 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 0.93 0.00 0.00 0.93 0.00 0.00 152 E 9.37 3.49 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 2.18 2.26 0.00 153 G 8.37 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 0.00 154 V 6.97 4.61 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 0.73 0.00 0.00 0.93 0.00 0.00 155 Y 8.37 4.76 0.00 2.93 2.86 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 *157 C 8.45 4.96 0.00 2.90 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 0.00 158 Q 9.24 4.80 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 159 C 8.92 4.72 0.00 2.96 3.18 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 0.00 160 M 8.57 4.27 0.00 1.97 1.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 161 E 8.74 4.28 0.00 1.98 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 2.34 2.36 0.00 162 G 9.03 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 0.00 163 F 8.27 5.16 0.00 3.06 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 0.00 164 T 8.51 4.70 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 1.27 0.00 0.00 165 F 8.76 5.16 0.00 3.04 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 0.00 166 D 8.03 4.47 0.00 2.50 2.25 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 *168 E 8.46 4.19 0.00 2.11 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 0.00 2.28 2.29 0.00 *170 N 7.87 4.56 0.00 2.80 3.04 0.00 0.00 6.77 7.68 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 0.00 171 V 6.95 4.61 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 1.07 0.00 0.00 0.89 0.00 0.00 172 C 8.80 5.55 0.00 2.94 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 0.00 173 L 9.09 4.86 0.00 1.62 1.58 0.88 0.76 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 0.00 174 G 8.70 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 0.00 175 P 0.00 4.37 0.00 1.91 1.83 0.00 3.42 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.