NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4180 8.3044 118.8102 54.7868 33.4020 175.5997 2 D 4.6939 7.7730 116.4740 54.1797 39.6870 173.8615 3 F 5.0888 9.0875 121.2186 56.6520 41.1653 174.8059 4 R 4.9248 9.2622 120.4551 54.4621 34.4130 174.2071 5 I 4.9527 8.4365 115.1105 59.3044 40.7776 174.4561 6 G 4.3743 9.0402 110.4260 44.6992 0.0000 171.1805 7 Q 5.1940 8.5276 116.9319 54.4256 32.4893 174.0412 8 G 4.5156 9.2447 107.1421 45.1211 0.0000 170.7353 9 Y 5.3785 8.4229 121.2660 56.2528 42.3345 173.4466 10 D 4.5216 7.7276 122.9066 53.2328 45.2792 174.3018 11 V 4.9047 7.8480 122.2584 60.6081 34.7419 173.8656 12 H 5.0044 8.9287 118.6563 53.9924 33.6043 172.9619 13 Q 4.6228 8.7552 119.7951 56.0141 30.1666 175.0474 14 L 5.0627 8.8943 125.3743 53.6945 43.6690 175.8429 15 V 4.6680 8.6791 118.9627 58.7132 36.4949 173.5027 16 P 4.8393 0.0000 0.0000 63.4377 31.6611 176.6163 17 G 4.0904 9.0566 109.3829 45.3636 0.0000 173.5958 18 R 4.8930 7.6863 117.9234 53.4206 35.0169 172.8897 19 P 4.6567 0.0000 0.0000 62.7754 33.3769 175.1727 20 L 4.5650 8.4794 123.5229 53.9969 42.8148 175.1643 21 I 4.8338 8.1993 127.8230 59.4442 39.5129 175.1436 22 I 4.8195 8.1251 126.1250 60.3999 40.1243 175.9190 23 G 4.1681 9.9815 114.6135 46.7600 0.0000 174.9152 24 G 3.8870 9.1241 106.5427 44.9958 0.0000 174.0975 25 V 4.2481 7.3183 119.9015 60.9518 33.0539 174.4341 26 T 4.6791 8.4485 124.4505 63.2944 69.2099 174.0266 27 I 4.4772 8.8817 128.4243 58.2883 39.5078 173.8409 28 P 4.3893 0.0000 0.0000 63.4780 31.4346 175.1313 29 Y 4.9183 8.4486 125.5814 57.1159 41.5160 175.1570 30 E 4.1330 7.6475 119.0533 57.2053 29.8805 177.0063 31 R 4.8516 6.8358 114.6112 56.1808 35.0860 173.6753 32 G 4.5026 8.7503 105.6416 46.7279 0.0000 171.9963 33 L 5.7430 7.8513 118.5819 52.5159 43.1227 178.3216 34 L 4.4071 8.2678 124.5555 53.4386 39.1185 176.0738 *38 D 4.4236 8.1558 119.4300 51.3640 41.6670 176.3612 39 A 3.4418 7.9622 120.8897 53.4023 15.9268 178.6247 40 D 4.7009 7.8709 122.0725 53.7822 39.7711 175.3559 41 V 4.1228 7.9758 120.2329 63.4068 31.8338 177.5631 42 L 3.9093 7.8181 118.9981 58.2017 41.9735 178.8325 43 L 4.0128 7.9787 118.5066 57.9378 41.5115 179.2381 44 H 4.2608 8.1799 116.0648 58.7466 28.5909 177.4941 45 A 3.9964 7.9717 122.5123 55.5060 18.2626 179.7721 46 I 3.6423 7.7592 118.1244 64.6735 37.0722 178.8662 47 T 3.7110 8.1392 116.8369 66.7327 68.2587 176.2755 48 D 4.5030 8.6959 120.8290 57.4733 40.8862 178.7435 49 A 4.2277 8.2234 122.7362 54.5661 18.3782 179.7492 50 L 3.8309 7.9117 117.2634 58.0451 41.6453 179.7571 51 F 4.5572 8.1357 117.9009 60.4192 38.7791 177.9838 52 G 3.6046 8.5672 105.5334 47.8707 0.0000 175.6046 53 A 4.1267 8.0791 123.4144 54.0769 18.4696 179.1602 54 A 2.9782 7.6940 117.1058 51.9520 18.9897 177.0061 55 A 3.6393 7.5776 118.9967 53.7816 16.3564 177.8458 56 L 4.6899 8.5455 116.9845 55.5387 43.3334 177.8735 57 G 3.9729 9.3217 110.3825 45.3369 0.0000 176.1955 58 D 4.7697 8.0498 126.3174 50.6752 43.2275 174.9969 59 I 3.8209 9.0720 119.4683 64.4103 37.5763 177.8130 60 G 3.6603 8.0872 104.8363 47.9991 0.0000 175.3522 61 R 3.9906 7.8808 119.3567 58.8750 30.1260 178.4371 62 H 4.0797 7.2996 114.8725 56.7415 29.8099 175.8114 63 F 4.7136 7.4768 120.0677 54.7207 38.7129 174.2213 64 S 4.2273 8.3324 121.3462 58.6507 63.0475 175.2709 65 D 4.7533 8.7775 124.4719 54.7113 39.7698 175.9618 66 T 4.4930 7.2736 107.3146 63.5655 70.9334 174.3130 67 D 4.3163 7.9561 120.2444 53.1396 41.4524 175.5697 68 P 4.2736 0.0000 0.0000 65.7556 31.4516 177.9025 69 R 3.9963 7.6101 114.4421 56.4029 29.6809 181.6631 70 F 4.8082 7.6790 114.7651 56.4872 42.5100 174.1149 *73 A 4.0977 8.4306 127.7512 51.9874 19.7038 175.5366 74 D 4.8144 8.0857 119.9305 51.8815 41.6543 177.7435 75 S 4.1665 9.7726 116.0722 61.5554 62.4074 177.3784 76 R 3.8871 7.8619 120.3624 58.9206 29.7043 178.8076 77 A 3.9405 8.1034 120.5315 55.1252 18.3338 179.5367 78 L 3.0684 7.6646 116.9803 57.5269 41.5502 179.3577 79 L 3.8816 7.8969 120.0546 58.2224 42.0888 179.0358 80 R 3.8840 8.1663 118.3033 59.3235 30.0197 178.6477 81 E 3.9753 8.5259 119.1775 59.4364 29.6342 177.9677 82 C 3.8409 8.8548 119.3369 62.9307 31.4525 175.8385 83 A 3.9498 8.1773 121.9232 54.9736 17.8948 179.6018 84 S 4.1021 7.9517 111.5408 61.4902 62.5639 176.5079 85 R 4.0438 8.3182 120.9383 59.2006 29.8376 179.0278 86 V 3.6974 8.2455 118.1566 66.1181 31.4967 177.7508 87 A 4.3161 8.0815 121.6730 54.9425 18.0031 179.7314 88 Q 3.9820 8.1546 114.8657 58.7430 28.8710 178.2613 89 A 4.2718 7.9032 120.3419 53.1320 18.5334 178.1136 90 G 3.7776 8.1506 106.4951 44.6946 0.0000 172.5403 91 F 5.2138 8.1257 118.1996 55.4399 41.4790 174.5005 92 A 4.8202 8.9666 125.9608 50.5430 20.8140 176.2414 93 I 4.0841 8.3822 123.6908 61.6753 37.3433 176.0552 94 R 4.4825 9.0609 127.3105 58.2091 31.1146 176.3386 95 N 4.9231 7.6140 113.2160 52.2001 40.5619 173.3664 96 V 5.0031 8.5764 119.0307 61.3280 35.2778 173.7153 97 D 5.3915 9.2397 125.3061 51.8740 45.4147 173.9340 98 S 5.1231 8.2416 115.9066 58.0372 66.8277 172.9185 99 T 5.1125 9.0822 116.8457 62.0107 72.6908 173.0156 100 I 4.7633 9.0201 126.9992 59.7551 39.9186 174.6564 101 I 4.9591 8.7619 128.1272 59.6864 39.0053 174.6311 102 A 4.8204 8.9289 129.2103 50.2350 22.0081 176.9146 103 Q 3.8213 9.0350 123.0681 58.7881 29.6216 175.8233 104 A 4.2805 7.1266 116.7404 50.4448 21.5582 173.7675 105 P 4.2759 0.0000 0.0000 61.8139 32.5594 176.8328 106 K 3.9513 8.3645 119.9614 55.1807 31.7494 174.3143 107 L 4.4868 8.4316 122.9890 54.6879 43.0833 178.4393 108 A 3.9543 8.2334 120.8047 55.0737 17.8704 177.7040 109 P 4.1843 0.0000 0.0000 64.9708 31.6457 177.3472 110 H 4.7984 8.1514 113.7581 55.5297 29.1824 176.6096 111 I 3.6803 7.3992 123.5534 64.6140 37.0014 177.8117 112 D 4.3515 8.1365 118.9075 57.3088 40.5564 178.6840 113 A 3.9924 7.9228 120.7046 55.3651 18.4419 179.3694 114 M 4.2446 7.9178 118.5252 58.1617 31.9884 179.1649 115 R 3.8848 8.3694 118.2767 59.1278 30.1288 178.9654 116 A 3.9657 8.1272 120.4466 55.2399 18.4206 179.4011 117 N 4.2576 8.3379 115.1079 56.5972 38.5755 177.8015 118 I 3.6839 7.9653 120.9751 64.2547 37.2129 178.3603 119 A 3.9391 8.2555 121.5871 55.0556 18.1919 179.1771 120 A 3.9072 8.2819 119.5640 55.8228 18.2557 179.5855 121 D 4.3496 8.3944 116.2014 56.9956 41.0258 178.2750 122 L 4.3198 8.0175 116.6576 53.4337 42.6823 175.6845 123 D 4.3579 7.8633 117.7936 55.4845 40.1330 172.9316 124 L 4.8210 7.5950 116.2276 51.7928 44.7633 175.4631 125 P 4.3147 0.0000 0.0000 62.6571 32.1054 177.3838 126 L 3.9602 8.6810 123.9718 58.2308 42.0947 177.9640 127 D 4.7410 8.0645 114.8458 54.0438 39.5980 176.3302 128 R 4.6145 8.1718 118.0550 56.0738 31.6639 175.2267 129 V 4.8711 7.7399 119.0015 61.0753 33.7385 174.3584 130 N 5.1342 9.1828 125.6551 51.7998 42.5791 172.9819 131 V 5.1052 8.2749 123.4475 59.9950 34.7913 174.4859 132 K 4.8354 9.0287 125.6029 54.4696 36.0264 174.6855 133 A 5.2116 8.5183 123.4673 50.2631 21.3717 175.8264 134 K 4.7785 9.2765 120.8124 54.9014 37.0298 175.7541 135 T 4.9629 8.3464 111.9564 59.3816 71.6718 173.4814 136 N 4.6859 8.6536 116.6592 52.6598 38.8727 174.2699 137 E 3.6373 8.6864 113.6805 57.2115 27.6059 175.2326 138 K 4.2210 8.2923 112.5172 56.9368 30.4746 175.6959 139 L 4.4730 7.7678 119.2948 53.8864 43.5117 178.3740 140 G 4.2145 8.5119 112.4745 44.7520 0.0000 173.3010 141 Y 4.4661 8.3444 117.2502 59.5963 37.4516 178.5957 142 L 4.1768 6.9436 120.1254 57.6373 41.7080 179.6079 143 G 3.6785 8.1658 105.1519 46.9849 0.0000 174.8894 144 R 4.5015 7.8723 118.2161 55.5154 30.3953 176.7272 145 G 3.9546 7.7587 106.8125 46.6661 0.0000 174.5135 146 E 4.4232 8.7271 119.7819 56.8560 30.7279 175.9521 147 G 4.2348 7.6326 104.7187 45.7976 0.0000 172.6771 148 I 4.9752 8.5476 119.9100 59.3500 41.1538 174.6651 149 E 5.0730 8.8119 125.8134 54.3915 32.8745 174.3427 150 A 5.2880 8.8052 125.6635 50.2281 22.8444 175.0453 151 Q 5.1674 9.3169 118.7579 54.1627 32.7734 174.6171 152 A 5.2760 9.1680 123.0311 50.3060 23.3495 174.7896 153 A 5.2345 9.2328 121.0681 50.1416 22.8323 175.2079 154 A 5.1058 9.1452 122.0367 50.1473 23.1090 174.6731 155 L 5.0888 8.7288 123.6641 53.4944 44.6482 175.7497 156 V 5.2544 8.9003 118.3827 59.6900 36.7162 174.6218 157 V 4.7322 8.8534 120.3734 60.2418 34.7922 175.4543 158 R 4.5318 8.8733 123.6460 55.6829 29.5039 175.7663 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 M 8.30 4.42 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.77 4.69 0.00 2.84 2.51 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 3 F 9.09 5.09 0.00 3.01 2.96 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 0.00 4 R 9.26 4.92 0.00 1.58 1.73 0.00 3.29 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 5 I 8.44 4.95 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 1.29 0.94 0.92 0.00 0.00 6 G 9.04 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 0.00 0.00 0.00 0.00 7 Q 8.53 5.19 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.24 4.52 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 0.00 9 Y 8.42 5.38 0.00 2.95 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 10 D 7.73 4.52 0.00 2.78 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 11 V 7.85 4.90 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 0.80 0.00 0.00 1.10 0.00 0.00 12 H 8.93 5.00 0.00 3.06 3.17 0.00 5.62 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 13 Q 8.76 4.62 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 14 L 8.89 5.06 0.00 1.62 1.72 1.07 1.12 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 15 V 8.68 4.67 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 0.79 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.84 0.00 1.90 1.93 0.00 3.69 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 17 G 9.06 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 18 R 7.69 4.89 0.00 1.69 1.77 0.00 3.29 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 19 P 0.00 4.66 0.00 2.11 2.17 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.48 4.56 0.00 2.06 1.89 0.93 0.84 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 21 I 8.20 4.83 1.83 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 1.39 1.08 0.88 0.00 0.00 22 I 8.13 4.82 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 1.19 1.05 0.87 0.00 0.00 23 G 9.98 4.17 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 0.00 24 G 9.12 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 25 V 7.32 4.25 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.45 4.68 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 1.21 0.00 0.00 27 I 8.88 4.48 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.61 0.80 0.00 0.00 28 P 0.00 4.39 0.00 2.12 2.11 0.00 3.77 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 2.03 2.00 0.00 29 Y 8.45 4.92 0.00 2.92 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 30 E 7.65 4.13 0.00 1.93 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 2.31 1.90 0.00 31 R 6.84 4.85 0.00 1.80 1.88 0.00 3.31 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 32 G 8.75 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 33 L 7.85 5.74 0.00 1.55 1.58 0.93 1.04 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 34 L 8.27 4.41 0.00 1.56 1.65 0.94 1.06 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 *38 D 8.16 4.42 0.00 2.76 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 39 A 7.96 3.44 1.26 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 40 D 7.87 4.70 0.00 2.77 2.44 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 41 V 7.98 4.12 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 1.20 0.00 0.00 0.89 0.00 0.00 42 L 7.82 3.91 0.00 1.71 1.61 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.98 4.01 0.00 1.71 1.68 0.90 0.88 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 44 H 8.18 4.26 0.00 3.49 3.36 0.00 5.65 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 45 A 7.97 4.00 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 46 I 7.76 3.64 1.85 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 1.51 0.94 0.87 0.00 0.00 47 T 8.14 3.71 4.47 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 1.27 0.00 0.00 48 D 8.70 4.50 0.00 2.92 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 49 A 8.22 4.23 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 50 L 7.91 3.83 0.00 1.59 1.49 0.82 0.82 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 51 F 8.14 4.56 0.00 3.17 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 52 G 8.57 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 0.00 0.00 0.00 53 A 8.08 4.13 1.26 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 54 A 7.69 2.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 3.64 1.37 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 0.00 0.00 0.00 56 L 8.55 4.69 0.00 1.75 1.69 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.32 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 58 D 8.05 4.77 0.00 3.09 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 59 I 9.07 3.82 2.07 0.00 0.00 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 1.59 1.90 1.00 0.00 0.00 60 G 8.09 3.66 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 0.00 0.00 0.00 61 R 7.88 3.99 0.00 1.70 1.76 0.00 3.09 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 1.56 1.67 0.00 62 H 7.30 4.08 0.00 1.81 1.77 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.48 4.71 0.00 2.80 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.23 0.00 3.90 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 65 D 8.78 4.75 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.27 4.49 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 1.24 0.00 0.00 67 D 7.96 4.32 0.00 2.91 2.97 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 68 P 0.00 4.27 0.00 2.02 2.08 0.00 3.72 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 2.02 2.09 0.00 69 R 7.61 4.00 0.00 1.87 1.83 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 70 F 7.68 4.81 0.00 3.05 2.87 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 *73 A 8.43 4.10 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 74 D 8.09 4.81 0.00 3.14 2.82 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 S 9.77 4.17 0.00 3.83 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 0.00 76 R 7.86 3.89 0.00 1.97 2.08 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 77 A 8.10 3.94 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 78 L 7.66 3.07 0.00 1.62 1.11 0.78 -0.53 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 79 L 7.90 3.88 0.00 1.84 1.82 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.17 3.88 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 81 E 8.53 3.98 0.00 2.15 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 2.68 2.90 0.00 82 C 8.85 3.84 0.00 2.86 2.97 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 83 A 8.18 3.95 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 84 S 7.95 4.10 0.00 3.96 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 85 R 8.32 4.04 0.00 2.32 2.19 0.00 3.52 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 86 V 8.25 3.70 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 1.08 0.00 0.00 0.88 0.00 0.00 87 A 8.08 4.32 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 88 Q 8.15 3.98 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 89 A 7.90 4.27 1.65 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 0.00 0.00 90 G 8.15 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 91 F 8.13 5.21 0.00 3.14 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 92 A 8.97 4.82 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 93 I 8.38 4.08 1.88 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 1.34 0.60 0.92 0.00 0.00 94 R 9.06 4.48 0.00 1.94 2.08 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.05 0.00 95 N 7.61 4.92 0.00 2.86 2.88 0.00 0.00 5.58 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 96 V 8.58 5.00 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.24 5.39 0.00 2.78 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 0.00 0.00 0.00 0.00 98 S 8.24 5.12 0.00 3.96 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 99 T 9.08 5.11 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 0.00 100 I 9.02 4.76 1.85 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 1.20 0.65 0.93 0.00 0.00 101 I 8.76 4.96 1.85 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 1.15 1.08 0.91 0.00 0.00 102 A 8.93 4.82 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 0.00 103 Q 9.04 3.82 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 104 A 7.13 4.28 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 0.00 105 P 0.00 4.28 0.00 2.03 1.65 0.00 3.38 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 106 K 8.36 3.95 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.43 4.49 0.00 1.66 1.71 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.23 3.95 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 0.00 109 P 0.00 4.18 0.00 1.64 2.00 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 110 H 8.15 4.80 0.00 3.13 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.40 3.68 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 1.80 0.96 0.94 0.00 0.00 112 D 8.14 4.35 0.00 2.67 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 0.00 113 A 7.92 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.92 4.24 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.59 0.00 115 R 8.37 3.88 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 116 A 8.13 3.97 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 0.00 117 N 8.34 4.26 0.00 2.94 2.86 0.00 0.00 7.10 8.30 0.00 0.00 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 I 7.97 3.68 1.86 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 1.43 0.67 0.89 0.00 0.00 119 A 8.26 3.94 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 0.00 120 A 8.28 3.91 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 0.00 121 D 8.39 4.35 0.00 2.76 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 0.00 122 L 8.02 4.32 0.00 1.66 1.69 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.86 4.36 0.00 2.76 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 L 7.60 4.82 0.00 1.66 1.54 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.31 0.00 2.30 1.99 0.00 3.62 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 2.12 2.09 0.00 126 L 8.68 3.96 0.00 1.71 1.67 0.92 1.18 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 0.00 127 D 8.06 4.74 0.00 2.81 2.75 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 0.00 128 R 8.17 4.61 0.00 1.94 2.08 0.00 3.08 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.74 4.87 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 0.93 0.00 0.00 130 N 9.18 5.13 0.00 2.83 2.78 0.00 0.00 6.18 7.33 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 0.00 131 V 8.27 5.11 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 1.21 0.00 0.00 0.92 0.00 0.00 132 K 9.03 4.84 0.00 1.71 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.55 7.81 133 A 8.52 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 0.00 134 K 9.28 4.78 0.00 1.57 1.63 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.35 4.96 4.34 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 1.19 0.00 0.00 136 N 8.65 4.69 0.00 2.74 2.88 0.00 0.00 6.96 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 0.00 137 E 8.69 3.64 0.00 2.13 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 2.24 2.39 0.00 138 K 8.29 4.22 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.35 7.81 139 L 7.77 4.47 0.00 1.77 1.51 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.51 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 0.00 0.00 0.00 0.00 141 Y 8.34 4.47 0.00 3.33 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 0.00 142 L 6.94 4.18 0.00 1.44 1.63 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.17 3.68 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 0.00 0.00 0.00 144 R 7.87 4.50 0.00 1.86 2.10 0.00 3.28 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 145 G 7.76 3.95 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 0.00 146 E 8.73 4.42 0.00 2.21 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 2.34 2.33 0.00 147 G 7.63 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 0.00 148 I 8.55 4.98 1.88 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 1.11 0.88 0.94 0.00 0.00 149 E 8.81 5.07 0.00 2.10 1.77 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 2.17 2.13 0.00 150 A 8.81 5.29 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 0.00 151 Q 9.32 5.17 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 152 A 9.17 5.28 1.19 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 0.00 0.00 153 A 9.23 5.23 1.19 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 0.00 0.00 154 A 9.15 5.11 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 0.00 155 L 8.73 5.09 0.00 1.80 1.68 1.05 0.63 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 0.00 156 V 8.90 5.25 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 0.67 0.00 0.00 0.67 0.00 0.00 157 V 8.85 4.73 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 0.78 0.00 0.00 0.17 0.00 0.00 158 R 8.87 4.53 0.00 1.51 1.87 0.00 2.21 0.00 0.00 2.90 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.00 * Residues marked with a * may have inaccurate shift predictions.