NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3817 8.3033 118.6669 56.4314 32.6290 173.9732 4 K 4.6556 8.4582 116.4141 55.3564 34.2797 174.5449 5 Y 4.2433 10.1314 130.4502 56.5758 40.1473 173.9487 6 I 4.2671 7.8378 128.4531 60.2539 38.4157 175.5040 7 V 4.2457 8.1134 128.2073 61.3007 32.6038 175.6692 8 T 4.2318 8.2051 118.3048 60.1578 70.6762 175.7953 9 W 4.3514 8.7042 121.7020 60.3023 29.0382 178.4822 10 D 4.4861 8.3007 118.1752 57.6975 40.2401 178.7009 11 M 4.0070 7.8346 118.4387 58.2076 31.8906 178.4520 12 L 4.0560 8.1751 120.6294 58.3624 42.2760 178.8827 13 Q 4.0385 8.3282 119.4740 59.0620 28.9707 178.3453 14 I 3.7132 7.6679 120.9151 64.7281 37.2124 178.0481 15 H 4.2040 8.2394 116.9341 58.8695 28.4226 177.7308 16 A 4.0214 8.3346 122.7455 55.3377 18.2479 179.9751 17 R 3.8781 8.1748 116.5578 59.0790 29.8502 179.2392 18 K 3.9841 7.8335 119.0024 59.2492 32.3758 178.4209 19 L 4.0460 8.1274 120.5673 57.9723 42.0303 178.6964 20 A 4.0091 8.3224 121.3499 55.1962 17.9457 179.6564 21 S 4.1300 8.2001 112.7171 61.8109 62.7109 176.9182 22 R 4.0640 7.7076 120.0107 58.1275 29.9565 177.9598 23 L 4.5140 7.6478 116.9821 54.9526 42.2954 177.0742 24 M 4.4879 7.0960 118.7966 54.2694 32.3174 174.6065 25 P 4.4532 0.0000 0.0000 62.3754 32.4608 177.8553 26 S 4.3348 8.8573 118.7310 61.9762 62.6127 176.6746 27 E 4.0076 8.1813 115.4590 58.3974 29.3783 180.5511 28 Q 3.8955 7.2365 112.2634 57.1886 28.9081 175.9212 29 W 5.1214 7.5997 119.0470 55.1596 31.4693 175.4946 30 K 4.1885 8.8186 121.4475 57.9384 33.3783 176.1885 31 G 3.7906 6.5641 104.6853 45.7553 0.0000 172.0843 32 I 5.2141 8.4591 119.4230 59.4637 41.5440 175.1772 33 I 4.8511 9.0399 126.8995 59.5551 39.7452 174.3406 34 A 4.8853 9.0676 130.3615 50.6276 20.8407 176.1319 35 V 4.2390 8.6181 123.4444 62.4071 32.5912 175.2570 36 S 4.5923 8.6293 123.7731 58.2609 62.7359 174.1371 37 R 4.2542 8.6555 124.0750 57.0739 31.1722 178.6822 38 G 3.7806 8.3783 106.5958 48.5901 0.0000 174.3893 39 G 3.9048 8.5706 107.1913 45.7222 0.0000 175.5338 40 L 3.8648 7.8923 121.3883 57.7315 41.6394 179.4901 41 V 3.6153 7.3293 117.3908 65.7451 31.7051 176.0678 42 P 4.4917 0.0000 0.0000 65.5943 31.1262 178.8518 43 G 3.5913 8.4289 104.5581 47.6919 0.0000 175.7034 44 A 4.0366 8.1495 123.1669 54.7799 18.3671 179.8235 45 L 3.9725 8.1057 117.6267 57.9228 41.6629 179.6479 46 L 3.9723 8.0833 118.7112 57.7508 41.6872 179.3621 47 A 3.9791 8.1642 120.7678 55.1565 18.4186 179.7068 48 R 3.8471 7.9437 116.9862 59.7217 29.9882 178.7021 49 E 4.0929 8.1199 117.1904 59.0071 29.5998 178.5188 50 L 4.4185 8.2449 116.8871 54.3671 42.0280 177.5651 51 G 3.8892 7.4297 105.9309 46.1091 0.0000 173.2835 52 I 4.2454 7.5008 119.9788 60.1058 37.9448 176.1136 53 R 4.3470 8.4571 123.0361 56.9805 31.7974 175.9975 54 H 4.5245 8.0098 118.1216 55.2475 29.6490 172.8267 55 V 4.9495 8.1398 123.5908 60.8096 33.8826 173.5582 56 D 5.2231 9.6038 127.1072 52.5598 45.0564 173.9209 57 T 5.2862 8.3316 109.4263 59.6775 72.4546 173.6682 58 V 4.5585 8.6058 121.5839 60.2947 34.4648 173.9648 59 C 5.0477 9.3626 123.8710 57.9082 30.6123 173.2506 60 I 5.3035 8.5284 124.0014 58.1652 39.5339 175.2599 61 S 4.3929 8.7203 124.5307 58.6177 64.3474 174.5763 62 S 4.3875 8.4452 117.3962 57.8835 62.8091 174.5409 *71 L 4.0785 8.0830 123.4663 54.0237 42.7959 176.9305 72 K 4.1440 8.2459 122.0606 55.5476 34.1243 175.3828 73 V 3.9634 8.2052 128.1106 62.1177 30.5447 175.4930 74 L 4.2380 8.5917 128.6791 57.1986 42.2079 177.8970 75 K 4.6739 7.8012 118.4627 54.8646 35.9346 174.6469 76 R 4.9696 8.4375 125.7404 54.3258 32.9880 174.3361 77 A 4.2748 8.6899 130.9798 52.3031 18.9799 178.0405 78 E 4.0469 8.6759 117.9237 56.1277 30.6521 174.6604 79 G 3.8796 8.7243 104.1475 45.6610 0.0000 173.2115 80 D 4.7369 8.7055 116.0079 52.7497 39.9943 177.5323 81 G 4.0031 8.2541 107.7949 45.6540 0.0000 172.9558 82 E 4.4808 8.2608 120.9947 57.3596 30.1163 177.0348 83 G 4.0563 9.3662 113.8301 45.5224 0.0000 172.1740 84 F 5.2743 8.5256 118.1937 55.6765 42.6106 174.3906 85 I 4.6696 8.2378 121.8169 59.6070 39.4440 174.7307 86 V 4.7584 8.7880 127.4366 61.1511 33.6425 174.2155 87 I 5.8229 8.6505 127.1677 58.3547 41.5419 173.3715 88 D 5.3581 8.6341 126.7040 52.5536 45.1661 175.7363 89 D 4.6320 8.9183 120.7356 55.9176 40.6433 175.9880 90 L 5.7124 8.1755 118.5578 51.8324 45.7268 175.5789 91 V 4.5514 8.0946 122.9301 60.2849 34.7065 173.8351 92 D 4.6898 8.2508 121.2302 53.8303 44.3126 174.0685 93 T 4.1173 8.4016 114.4916 62.6524 67.9750 174.7034 94 G 4.0252 8.9222 113.9262 45.5763 0.0000 174.6945 95 G 4.1507 7.5775 109.9668 45.9769 0.0000 174.9381 96 T 4.5025 8.4188 114.6778 61.2270 69.6194 176.0753 97 A 4.2734 8.1643 126.2712 55.7812 18.3322 180.4339 98 V 3.5398 7.8341 115.9593 66.1093 31.7549 177.8488 99 A 3.9738 8.0039 120.0131 55.2783 18.2429 179.4750 100 I 3.6024 7.7477 118.2408 64.5558 36.9554 178.7148 101 R 3.9310 7.9155 119.4034 59.2915 29.6404 178.4961 102 E 3.9545 7.9568 117.8876 59.6066 29.5644 178.8616 103 M 3.9278 7.7704 117.6805 57.0812 33.5198 176.5708 104 Y 4.8179 7.5954 115.2494 55.5082 38.2771 174.5656 105 P 4.5233 0.0000 0.0000 64.5691 31.9800 178.1872 106 K 4.3329 8.1303 116.2565 56.4305 32.4796 176.3361 107 A 4.8685 7.7905 121.3292 51.5063 20.3333 177.0258 108 H 4.8355 9.0823 120.0173 55.2128 30.9673 174.0105 109 F 5.4820 9.5763 130.6579 57.5102 40.4297 174.9182 110 V 5.4902 9.4509 119.4241 58.7596 36.0687 174.7459 111 T 5.6181 7.9191 111.1715 59.4302 72.4701 174.8864 112 I 3.6306 8.5319 122.3610 64.1009 38.0570 176.0984 113 F 5.4139 8.4287 120.0063 55.8436 42.2654 174.6532 114 A 4.7197 8.4426 121.9856 50.5643 22.5212 175.8674 115 K 4.8389 8.4836 121.8409 54.2093 34.1914 176.3182 116 P 4.0783 0.0000 0.0000 66.0556 31.1314 178.7923 117 A 4.1791 8.3503 117.3818 54.1841 18.5281 178.8370 118 G 3.7625 8.2624 103.6250 45.2956 0.0000 175.9752 119 R 3.7891 7.5540 120.8662 58.7647 30.0333 176.6175 120 P 4.5231 0.0000 0.0000 64.0945 31.5175 176.6870 121 L 4.3523 7.7598 118.6901 55.6591 42.1537 176.7951 122 V 4.3378 7.0523 111.1096 59.2348 34.4660 175.3544 123 D 4.6353 8.8789 122.1122 57.3238 41.4546 176.4163 124 D 4.7650 7.7923 115.3481 53.7735 44.6604 173.5975 125 Y 5.5975 7.7988 119.7504 57.5452 40.5543 173.9877 126 V 3.9462 8.5773 118.1569 64.2494 32.7038 175.4221 127 V 4.4605 7.8164 120.5123 61.1178 33.8103 173.6796 128 D 5.2254 8.7599 127.1596 53.6992 42.1453 175.7742 129 I 4.4486 8.3504 123.3222 58.5387 40.7106 173.7905 130 P 4.4524 0.0000 0.0000 62.2339 31.9733 177.0786 131 Q 3.8696 8.7352 122.7540 59.2235 28.8817 177.3483 132 D 4.5610 7.8957 114.1333 54.1675 40.1768 175.8656 133 T 4.5064 7.7978 120.7854 63.2785 69.5124 175.1285 *134 W 4.3122 8.7507 129.6514 56.2609 29.8638 171.8397 135 I 4.7316 8.2082 124.7314 58.3809 39.8101 174.2249 136 E 4.4295 9.1252 129.4112 54.7583 31.2354 175.8132 137 Q 3.9184 8.0569 124.0381 53.8076 30.0751 175.3297 138 P 3.6445 0.0000 0.0000 65.1806 31.0412 178.3727 139 W 4.4746 6.5730 114.1743 58.2984 28.2748 176.1548 140 D 4.7376 7.5087 117.7733 54.4517 40.7034 175.1880 141 M 4.8084 7.1732 118.6982 53.8599 35.2134 174.3401 142 G 4.0380 8.0078 106.1021 45.3136 0.0000 173.0874 143 V 4.0657 8.3051 120.0188 61.5194 31.5649 175.4362 144 V 4.6221 7.8927 119.2455 58.9385 35.7639 175.0530 145 F 4.1354 8.8161 123.3182 58.4636 39.5933 174.3828 146 V 4.0983 7.0252 126.4373 59.9659 33.6218 173.4120 147 P 4.2026 0.0000 0.0000 61.4153 31.9115 174.5758 148 P 4.3872 0.0000 0.0000 62.5155 31.9565 176.5598 149 I 3.7384 8.3854 121.1548 63.6426 37.2568 176.4656 150 S 4.6911 7.8562 113.8061 56.4251 64.0445 173.2832 151 G 3.9900 8.6448 115.7374 45.6194 0.0000 173.4263 152 R 4.0376 7.6761 125.5029 56.3727 29.9757 176.2366 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 E 8.30 4.38 0.00 1.68 1.93 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 2.21 1.92 0.00 4 K 8.46 4.66 0.00 1.63 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.41 7.81 5 Y 10.13 4.24 0.00 2.86 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 6 I 7.84 4.27 1.65 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 1.08 0.83 0.75 0.00 0.00 7 V 8.11 4.25 1.92 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 0.92 0.00 0.00 0.84 0.00 0.00 8 T 8.21 4.23 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 1.14 0.00 0.00 9 W 8.70 4.35 0.00 3.46 3.27 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 10 D 8.30 4.49 0.00 2.74 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 11 M 7.83 4.01 0.00 2.06 2.23 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 2.60 2.68 0.00 12 L 8.18 4.06 0.00 1.82 2.00 1.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.33 4.04 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 14 I 7.67 3.71 1.93 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 1.52 0.82 0.90 0.00 0.00 15 H 8.24 4.20 0.00 3.22 3.17 0.00 5.62 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 16 A 8.33 4.02 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.17 3.88 0.00 2.09 2.00 0.00 3.15 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 18 K 7.83 3.98 0.00 1.78 2.06 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 L 8.13 4.05 0.00 1.76 1.80 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.32 4.01 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 21 S 8.20 4.13 0.00 4.09 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 22 R 7.71 4.06 0.00 1.93 2.06 0.00 3.28 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 23 L 7.65 4.51 0.00 1.81 1.77 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.10 4.49 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 25 P 0.00 4.45 0.00 2.10 1.93 0.00 3.53 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 2.05 2.04 0.00 26 S 8.86 4.33 0.00 3.92 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 27 E 8.18 4.01 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 2.23 1.88 0.00 28 Q 7.24 3.90 0.00 1.31 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 29 W 7.60 5.12 0.00 3.25 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 30 K 8.82 4.19 0.00 1.22 1.54 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.25 7.81 31 G 6.56 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 32 I 8.46 5.21 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.93 0.00 0.00 33 I 9.04 4.85 1.59 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.88 0.54 0.00 0.00 34 A 9.07 4.89 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 35 V 8.62 4.24 2.28 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 0.89 0.00 0.00 1.00 0.00 0.00 36 S 8.63 4.59 0.00 3.91 3.71 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 37 R 8.66 4.25 0.00 1.79 1.75 0.00 3.16 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 38 G 8.38 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 39 G 8.57 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 40 L 7.89 3.86 0.00 1.57 1.63 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.33 3.62 2.18 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 1.53 0.00 0.00 1.03 0.00 0.00 42 P 0.00 4.49 0.00 2.26 2.17 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 43 G 8.43 3.59 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 44 A 8.15 4.04 1.42 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 0.00 0.00 45 L 8.11 3.97 0.00 1.92 1.78 1.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.08 3.97 0.00 1.84 1.66 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.16 3.98 1.45 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 48 R 7.94 3.85 0.00 2.01 2.12 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 49 E 8.12 4.09 0.00 2.00 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 2.57 2.51 0.00 50 L 8.24 4.42 0.00 1.61 1.77 0.82 0.96 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 51 G 7.43 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 0.00 0.00 0.00 52 I 7.50 4.25 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.91 0.00 0.00 53 R 8.46 4.35 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 54 H 8.01 4.52 0.00 3.26 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.14 4.95 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 0.85 0.00 0.00 0.95 0.00 0.00 56 D 9.60 5.22 0.00 2.76 2.46 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 0.00 0.00 0.00 0.00 57 T 8.33 5.29 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 58 V 8.61 4.56 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 0.74 0.00 0.00 1.06 0.00 0.00 59 C 9.36 5.05 0.00 2.90 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 60 I 8.53 5.30 1.88 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 1.03 1.12 0.95 0.00 0.00 61 S 8.72 4.39 0.00 3.90 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 62 S 8.45 4.39 0.00 3.68 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 *71 L 8.08 4.08 0.00 1.64 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.25 4.14 0.00 1.83 1.62 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.25 7.81 73 V 8.21 3.96 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 0.91 0.00 0.00 0.90 0.00 0.00 74 L 8.59 4.24 0.00 1.59 1.71 0.92 0.89 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 75 K 7.80 4.67 0.00 1.74 1.57 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 76 R 8.44 4.97 0.00 1.81 1.73 0.00 3.22 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 77 A 8.69 4.27 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 78 E 8.68 4.05 0.00 2.00 1.75 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 2.23 1.88 0.00 79 G 8.72 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 80 D 8.71 4.74 0.00 2.82 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 81 G 8.25 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 82 E 8.26 4.48 0.00 2.04 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 0.00 2.38 2.40 0.00 83 G 9.37 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 84 F 8.53 5.27 0.00 3.14 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 85 I 8.24 4.67 1.58 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.70 0.00 0.00 86 V 8.79 4.76 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 0.73 0.00 0.00 0.67 0.00 0.00 87 I 8.65 5.82 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 1.14 1.38 1.01 0.00 0.00 88 D 8.63 5.36 0.00 3.05 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 89 D 8.92 4.63 0.00 3.18 3.40 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 90 L 8.18 5.71 0.00 1.71 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.09 4.55 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 0.48 0.00 0.00 0.89 0.00 0.00 92 D 8.25 4.69 0.00 2.60 2.54 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 93 T 8.40 4.12 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 1.19 0.00 0.00 94 G 8.92 4.03 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 0.00 0.00 0.00 95 G 7.58 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 0.00 0.00 0.00 96 T 8.42 4.50 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 97 A 8.16 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.54 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 1.05 0.00 0.00 0.96 0.00 0.00 99 A 8.00 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.75 3.60 1.72 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 1.60 0.99 0.13 0.00 0.00 101 R 7.92 3.93 0.00 2.13 2.11 0.00 3.22 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 102 E 7.96 3.95 0.00 2.07 1.93 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 2.32 2.56 0.00 103 M 7.77 3.93 0.00 1.10 1.60 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 104 Y 7.60 4.82 0.00 2.90 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 0.00 105 P 0.00 4.52 0.00 2.20 2.25 0.00 3.51 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 106 K 8.13 4.33 0.00 2.12 2.05 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.48 7.81 107 A 7.79 4.87 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 108 H 9.08 4.84 0.00 3.57 3.06 0.00 5.77 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 0.00 109 F 9.58 5.48 0.00 3.09 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 0.00 110 V 9.45 5.49 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 0.45 0.00 0.00 0.89 0.00 0.00 111 T 7.92 5.62 4.37 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 0.00 0.00 0.00 1.00 0.00 0.00 112 I 8.53 3.63 1.72 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 1.37 0.89 0.17 0.00 0.00 113 F 8.43 5.41 0.00 2.89 2.80 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 0.00 0.00 0.00 114 A 8.44 4.72 0.07 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 0.00 115 K 8.48 4.84 0.00 1.65 1.64 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.15 7.81 116 P 0.00 4.08 0.00 2.24 2.10 0.00 3.71 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 2.09 2.15 0.00 117 A 8.35 4.18 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.26 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 0.00 119 R 7.55 3.79 0.00 1.93 2.04 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.75 0.00 120 P 0.00 4.52 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 121 L 7.76 4.35 0.00 1.75 1.82 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.05 4.34 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 -0.11 0.00 0.00 0.97 0.00 0.00 123 D 8.88 4.64 0.00 2.49 2.68 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 0.00 0.00 0.00 124 D 7.79 4.77 0.00 2.77 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 0.00 0.00 0.00 0.00 125 Y 7.80 5.60 0.00 2.94 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 0.00 126 V 8.58 3.95 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 0.69 0.00 0.00 0.89 0.00 0.00 127 V 7.82 4.46 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 0.99 0.00 0.00 0.54 0.00 0.00 128 D 8.76 5.23 0.00 2.66 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 0.00 129 I 8.35 4.45 1.71 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.66 0.00 0.00 130 P 0.00 4.45 0.00 2.14 1.94 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 131 Q 8.74 3.87 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 132 D 7.90 4.56 0.00 2.78 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 0.00 133 T 7.80 4.51 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 1.27 0.00 0.00 *134 W 8.75 4.31 0.00 2.20 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 0.00 0.00 0.00 0.00 135 I 8.21 4.73 1.58 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.33 0.69 0.00 0.00 136 E 9.13 4.43 0.00 1.70 1.66 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 2.14 2.31 0.00 137 Q 8.06 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.87 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 138 P 0.00 3.64 0.00 0.49 1.51 0.00 2.46 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.19 0.00 139 W 6.57 4.47 0.00 3.46 3.53 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 0.00 0.00 0.00 0.00 140 D 7.51 4.74 0.00 2.67 2.68 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 0.00 0.00 0.00 141 M 7.17 4.81 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 142 G 8.01 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 0.00 143 V 8.31 4.07 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.89 4.62 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 0.81 0.00 0.00 0.95 0.00 0.00 145 F 8.82 4.14 0.00 2.99 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 0.00 146 V 7.03 4.10 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 0.76 0.00 0.00 0.86 0.00 0.00 147 P 0.00 4.20 0.00 2.07 2.06 0.00 3.64 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 2.08 2.28 0.00 148 P 0.00 4.39 0.00 2.30 2.02 0.00 3.82 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 2.00 2.01 0.00 149 I 8.39 3.74 1.85 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 1.26 0.49 0.89 0.00 0.00 150 S 7.86 4.69 0.00 3.78 3.71 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 0.00 151 G 8.64 3.99 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 0.00 0.00 0.00 152 R 7.68 4.04 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.