NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4647 8.3349 117.0985 57.8390 63.9608 172.8814 4 L 4.6812 8.1579 124.7581 49.4221 44.9433 174.5958 5 P 4.5862 0.0000 0.0000 62.1901 30.6558 175.4033 6 L 4.7161 7.1338 118.7879 53.4005 44.3630 177.0848 7 E 4.0196 8.6370 120.7791 56.2444 30.3665 178.0290 8 A 3.9411 8.8912 124.9407 55.7547 18.2978 180.0988 9 N 4.2044 8.0367 113.7778 56.2613 38.6375 177.2512 10 A 3.0137 7.7583 121.3824 54.8933 18.3492 179.2361 11 A 3.7811 8.1557 119.2956 55.2823 18.4118 179.7603 12 A 3.9092 7.9583 119.1151 55.5466 18.4664 180.0693 13 T 3.8691 7.7885 114.2761 66.6342 68.5525 176.6076 14 L 4.1613 8.0571 122.3345 58.2573 42.1841 178.7730 15 A 4.1235 8.2763 120.7358 55.4391 18.3119 179.5434 16 E 3.9993 8.3139 116.9796 59.1841 29.5501 179.3580 17 W 4.2629 8.9223 128.8746 60.8711 30.7944 177.6885 18 H 4.3119 9.0285 116.7516 58.9481 28.2762 178.0339 19 G 3.6236 8.1383 107.2679 47.6867 0.0000 175.7844 20 L 3.9186 7.9720 121.2924 57.6128 41.5944 179.7180 21 I 3.3149 7.3207 119.4615 64.1131 36.7488 178.2544 22 A 3.9892 7.8368 120.5452 55.2319 18.3291 179.3113 23 R 4.1012 7.8669 115.7478 56.6917 30.5893 177.3403 24 R 3.6737 7.8045 116.2555 56.7697 27.2779 182.1479 25 D 4.5477 7.8995 118.6050 53.5181 42.0553 174.5816 26 L 4.5520 7.9026 130.7800 54.5225 42.4216 179.7330 27 S 4.0767 7.9329 116.1167 61.0692 63.3557 175.2399 28 G 3.8651 7.9607 107.7837 45.5255 0.0000 174.7952 29 L 4.0693 7.7687 123.0357 57.6677 41.8709 177.3597 30 P 4.3421 0.0000 0.0000 65.3283 31.5271 178.4314 31 R 3.9823 7.6750 118.1621 59.1069 30.2303 177.4893 32 L 4.3265 8.1995 117.0076 56.1109 42.1266 176.6046 33 L 4.9142 7.2278 117.7027 53.4617 43.0522 175.9637 34 H 4.4586 9.0370 122.5924 54.9451 30.6862 174.4592 35 P 4.2021 0.0000 0.0000 65.7441 30.8921 177.0920 36 D 4.9644 8.1440 115.8263 53.6476 41.2900 176.0189 37 A 4.3756 8.0698 121.8747 52.6755 19.6439 177.5195 38 V 4.8713 8.7979 120.5339 61.0234 34.7467 174.0620 39 F 5.3157 9.3889 129.9505 56.6472 42.0055 174.1431 40 R 4.7056 8.3626 126.4069 54.2166 31.1140 175.6342 41 S 4.5226 8.5631 119.5046 56.8460 63.3845 173.3009 42 P 4.4676 0.0000 0.0000 62.9172 30.5780 175.9301 *44 A 4.1631 7.7947 120.1403 53.1476 19.6872 177.3740 45 H 4.1554 9.0277 122.9920 59.6940 30.2272 176.9316 46 K 4.0567 7.8670 120.7993 53.6650 31.7279 176.7619 47 P 4.7247 0.0000 0.0000 62.0242 32.8357 175.4975 48 Y 4.5995 9.3497 118.7668 56.5721 39.3597 174.7458 49 A 4.6961 8.6463 126.9226 51.7234 20.6851 177.2365 50 G 3.8676 9.4823 109.9630 45.6843 0.0000 174.1963 51 A 3.9957 9.0111 126.2084 54.9518 18.0834 178.3391 52 P 4.1392 0.0000 0.0000 65.6606 31.5501 178.6430 53 V 3.6809 7.6557 114.9658 65.9978 31.8354 177.5484 54 V 3.6132 7.8305 117.9100 65.9959 31.3085 178.5664 55 S 4.1683 7.9680 109.1109 59.3001 61.9114 175.4857 *57 I 3.7717 7.6850 122.5294 60.7543 38.6697 178.0497 58 L 3.8221 7.3711 119.9090 57.5259 40.9825 179.3419 59 N 4.3508 7.7581 116.0106 56.1862 38.6983 177.4276 60 T 4.0040 7.4313 116.7221 66.7112 68.7633 176.7166 61 V 3.2457 7.9057 120.4917 65.9140 31.1139 177.7928 62 L 3.8508 7.2218 118.1761 57.7157 41.9827 178.2689 63 T 4.1600 7.7411 107.8946 62.7035 69.1866 176.3177 64 V 3.9920 7.1567 120.2730 63.9502 32.4465 175.8787 65 F 4.6389 7.2784 116.7043 58.0649 39.3604 174.6847 66 E 4.7315 9.3568 125.4300 55.6271 31.5658 175.4003 67 D 4.5397 8.7313 118.3222 55.1238 38.7263 174.0303 68 F 4.3341 8.2652 119.8883 58.3218 40.2706 174.1956 69 A 4.5678 7.9781 126.9136 50.6471 22.6688 174.6704 70 Y 4.9041 8.4730 119.5272 58.5693 39.5221 173.8074 71 H 4.8258 9.7957 118.1100 56.1748 30.9292 177.3073 72 R 4.2569 6.9043 125.3361 57.0616 31.7505 175.6997 73 Q 5.0115 8.5865 120.4431 54.2127 32.0308 174.6786 74 L 4.9221 9.0573 123.5625 52.7515 45.3863 175.3948 75 A 5.3325 8.4990 124.0533 49.9514 21.7450 176.3736 76 S 4.4400 8.9882 115.8735 57.7458 64.2099 175.4641 77 A 4.0653 8.6916 123.8851 54.9177 18.2556 178.3208 78 D 4.4862 8.1637 113.2725 53.1769 40.1092 176.7088 79 G 4.0051 8.2521 108.3401 46.8319 0.0000 175.0099 80 R 4.6789 8.2133 118.0561 55.6502 32.7383 175.9252 81 S 5.4130 8.2640 114.9800 56.5072 66.7602 173.5271 82 V 4.9716 8.8007 122.6433 59.8978 34.6270 174.9629 83 V 4.4328 8.9730 122.7099 61.2504 34.2300 174.1676 84 L 4.8270 9.0079 129.1963 52.8631 43.2820 175.3839 85 E 4.6682 9.2303 127.1542 55.9975 30.8832 175.5909 86 F 5.5039 9.1852 121.0962 55.2010 42.0944 173.3490 87 S 5.2026 8.4279 113.6761 57.0303 66.2839 172.7106 88 A 5.1590 8.3124 122.0416 51.7324 23.2768 174.9767 89 R 5.0782 9.3575 114.5795 55.0225 33.5689 174.8899 90 V 4.4107 8.9661 121.4926 60.9233 33.3304 177.4682 91 G 3.9033 9.6398 123.7914 47.3436 0.0000 175.5147 92 E 4.1142 9.1565 121.7916 57.2358 30.2226 177.3392 93 R 4.2281 7.9914 116.9528 55.9130 29.5253 175.1463 94 E 4.6016 8.6425 125.4829 55.8661 30.4763 175.5937 95 L 5.1288 9.3511 126.4586 53.9843 45.0293 174.9068 96 K 4.7747 8.9581 119.7310 54.9385 35.9739 175.0877 97 G 3.7564 8.1440 112.6964 45.1682 0.0000 171.4324 98 I 5.2315 7.8616 111.8078 59.3719 41.3337 174.6966 99 D 5.4746 9.1860 124.6987 52.8015 44.5020 174.7800 *101 I 3.7831 7.9767 118.2211 61.3569 38.6632 174.9162 102 R 4.8334 8.2835 127.1345 54.5286 32.1710 174.8064 103 F 5.5041 9.1495 124.9832 55.8915 42.4548 174.9972 104 D 4.8462 8.7813 120.9166 51.9156 41.4961 176.8722 105 D 4.3893 8.6808 117.9153 57.7577 40.6837 177.4717 106 D 4.5131 8.2368 115.7458 54.4090 41.1330 177.1396 107 G 3.9185 8.2064 107.8348 45.3729 0.0000 174.1206 108 R 4.4182 8.4476 119.6216 55.5807 30.9503 175.8755 109 I 4.0330 8.9977 123.8617 61.8164 37.5506 176.8765 110 V 4.1837 8.8704 120.5208 62.0101 34.5216 175.5880 111 D 5.0727 7.7370 119.3440 52.3944 44.7699 174.0177 112 F 4.7220 9.4793 128.0191 56.5132 42.1098 172.7349 113 E 4.8854 8.6738 127.4531 54.4688 31.3650 175.0834 114 V 5.2722 7.9993 126.6107 60.3433 34.6340 174.3957 *116 V 4.2685 8.1129 120.5340 62.8985 32.2864 174.6881 117 R 4.5946 8.9631 121.9282 55.6786 33.2645 173.0587 118 P 4.0954 0.0000 0.0000 64.8404 30.5559 178.1172 *120 S 4.3930 9.1774 111.7626 57.8140 65.9260 177.2730 121 G 3.6023 8.0775 107.3440 47.3125 0.0000 175.2533 122 L 4.0468 7.9556 123.1146 57.9280 42.1386 178.8592 123 Q 4.0037 8.2102 117.2130 59.0612 28.7147 178.7591 124 A 4.0014 7.9327 121.3255 55.0948 18.2271 179.1132 125 L 3.9638 8.0187 117.6703 58.4178 42.2435 178.9050 126 G 3.9265 8.1071 104.4015 47.9030 0.0000 174.4984 127 E 4.1528 8.2453 121.9872 58.8941 29.5740 179.9487 128 E 3.9734 8.1366 118.4149 56.3887 29.8406 178.6373 *130 G 3.8344 8.1008 107.9955 45.1045 0.0000 175.9308 131 R 3.8207 7.9471 119.9416 59.1629 29.9227 178.9222 132 R 3.5112 8.0785 117.9565 59.1849 30.1448 179.0398 133 L 4.1275 7.8564 118.0310 57.7734 41.4979 179.3261 134 A 4.0671 8.2612 123.2786 55.6916 18.0494 180.5504 135 S 4.0086 7.6332 116.3214 63.7250 62.4405 178.2259 136 Y 4.6633 7.5277 119.6878 60.9121 37.9090 178.4326 137 L 4.2436 8.1191 119.3562 57.0242 41.4049 178.3637 138 A 4.4679 7.5064 118.9205 52.1767 18.3309 177.1342 139 A 4.1348 7.6018 128.6609 54.0521 18.4115 178.4632 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 S 8.33 4.46 0.00 3.65 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.16 4.68 0.00 1.65 1.57 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.17 2.09 0.00 3.75 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 1.98 1.98 0.00 6 L 7.13 4.72 0.00 1.60 1.53 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.64 4.02 0.00 2.00 1.83 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 2.31 2.30 0.00 8 A 8.89 3.94 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 9 N 8.04 4.20 0.00 2.69 3.01 0.00 0.00 6.93 7.48 0.00 0.00 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 A 7.76 3.01 0.88 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 11 A 8.16 3.78 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 12 A 7.96 3.91 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 13 T 7.79 3.87 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 1.52 0.00 0.00 14 L 8.06 4.16 0.00 1.84 1.83 1.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.28 4.12 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 16 E 8.31 4.00 0.00 2.34 2.11 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 2.38 2.48 0.00 17 W 8.92 4.26 0.00 3.55 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.03 4.31 0.00 3.49 3.40 0.00 5.68 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 19 G 8.14 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 20 L 7.97 3.92 0.00 1.62 1.50 0.98 0.74 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 21 I 7.32 3.31 1.64 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.05 0.64 0.00 0.00 22 A 7.84 3.99 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 23 R 7.87 4.10 0.00 1.89 1.94 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 24 R 7.80 3.67 0.00 1.95 1.84 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 25 D 7.90 4.55 0.00 2.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.55 0.00 1.74 1.58 0.77 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.93 4.08 0.00 3.89 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 28 G 7.96 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 L 7.77 4.07 0.00 1.84 1.84 1.25 0.97 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 30 P 0.00 4.34 0.00 2.22 2.10 0.00 3.74 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 2.10 2.07 0.00 31 R 7.67 3.98 0.00 1.81 2.09 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 32 L 8.20 4.33 0.00 1.94 1.87 1.19 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.23 4.91 0.00 1.71 1.63 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.04 4.46 0.00 3.25 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.20 0.00 2.24 2.29 0.00 3.21 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 1.89 1.91 0.00 36 D 8.14 4.96 0.00 2.78 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 37 A 8.07 4.38 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 38 V 8.80 4.87 2.11 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 1.09 0.00 0.00 0.97 0.00 0.00 39 F 9.39 5.32 0.00 3.13 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 40 R 8.36 4.71 0.00 1.62 1.76 0.00 3.12 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 41 S 8.56 4.52 0.00 4.40 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 42 P 0.00 4.47 0.00 2.33 2.37 0.00 4.04 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 *44 A 7.79 4.16 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 45 H 9.03 4.16 0.00 3.07 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.87 4.06 0.00 1.82 1.61 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 47 P 0.00 4.72 0.00 2.09 2.08 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 48 Y 9.35 4.60 0.00 3.12 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 49 A 8.65 4.70 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 50 G 9.48 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 51 A 9.01 4.00 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 52 P 0.00 4.14 0.00 2.02 2.11 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 2.03 2.14 0.00 53 V 7.66 3.68 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 0.96 0.00 0.00 1.05 0.00 0.00 54 V 7.83 3.61 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 0.90 0.00 0.00 1.13 0.00 0.00 55 S 7.97 4.17 0.00 3.97 3.86 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 *57 I 7.69 3.77 0.97 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.10 0.15 0.00 0.00 58 L 7.37 3.82 0.00 1.50 1.64 0.38 -0.32 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 59 N 7.76 4.35 0.00 2.64 2.70 0.00 0.00 7.04 7.21 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 60 T 7.43 4.00 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 1.28 0.00 0.00 61 V 7.91 3.25 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 0.74 0.00 0.00 0.77 0.00 0.00 62 L 7.22 3.85 0.00 1.66 1.72 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.74 4.16 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 1.27 0.00 0.00 64 V 7.16 3.99 1.91 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 0.82 0.00 0.00 0.86 0.00 0.00 65 F 7.28 4.64 0.00 3.06 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 66 E 9.36 4.73 0.00 2.26 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 2.47 0.00 67 D 8.73 4.54 0.00 2.79 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 68 F 8.27 4.33 0.00 2.94 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 69 A 7.98 4.57 1.07 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 70 Y 8.47 4.90 0.00 2.99 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 71 H 9.80 4.83 0.00 3.13 2.74 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.90 4.26 0.00 1.92 1.86 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 73 Q 8.59 5.01 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 74 L 9.06 4.92 0.00 1.58 1.50 0.97 0.68 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 75 A 8.50 5.33 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 76 S 8.99 4.44 0.00 3.89 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 77 A 8.69 4.07 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 78 D 8.16 4.49 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 79 G 8.25 4.01 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 0.00 0.00 0.00 80 R 8.21 4.68 0.00 2.13 2.00 0.00 3.31 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 81 S 8.26 5.41 0.00 3.74 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 82 V 8.80 4.97 2.22 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 0.68 0.00 0.00 1.00 0.00 0.00 83 V 8.97 4.43 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 1.04 0.00 0.00 0.89 0.00 0.00 84 L 9.01 4.83 0.00 1.76 1.26 0.79 0.55 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 85 E 9.23 4.67 0.00 2.06 2.12 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 2.32 2.20 0.00 86 F 9.19 5.50 0.00 2.13 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 87 S 8.43 5.20 0.00 3.86 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 88 A 8.31 5.16 1.06 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 89 R 9.36 5.08 0.00 1.94 2.20 0.00 2.89 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 90 V 8.97 4.41 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 1.00 0.00 0.00 1.15 0.00 0.00 91 G 9.64 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 92 E 9.16 4.11 0.00 2.00 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 2.21 1.89 0.00 93 R 7.99 4.23 0.00 2.14 1.98 0.00 3.16 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 94 E 8.64 4.60 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 95 L 9.35 5.13 0.00 1.90 1.79 1.03 0.57 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 96 K 8.96 4.77 0.00 1.76 1.52 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.25 7.81 97 G 8.14 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 98 I 7.86 5.23 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 1.30 0.74 0.85 0.00 0.00 99 D 9.19 5.47 0.00 2.83 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.78 1.22 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 -0.30 -0.10 -0.25 0.00 0.00 102 R 8.28 4.83 0.00 1.74 1.62 0.00 2.99 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 103 F 9.15 5.50 0.00 2.85 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 0.00 104 D 8.78 4.85 0.00 2.92 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 0.00 105 D 8.68 4.39 0.00 2.71 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 0.00 106 D 8.24 4.51 0.00 2.82 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 0.00 107 G 8.21 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 0.00 108 R 8.45 4.42 0.00 2.23 1.96 0.00 3.33 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 109 I 9.00 4.03 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.84 0.87 0.00 0.00 110 V 8.87 4.18 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 0.69 0.00 0.00 0.93 0.00 0.00 111 D 7.74 5.07 0.00 2.61 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.48 4.72 0.00 3.06 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 0.00 113 E 8.67 4.89 0.00 1.91 1.72 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 2.14 2.18 0.00 114 V 8.00 5.27 2.29 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 1.64 0.00 0.00 1.54 0.00 0.00 *116 V 8.11 4.27 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 1.02 0.00 0.00 1.31 0.00 0.00 117 R 8.96 4.59 0.00 1.81 1.93 0.00 2.78 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 118 P 0.00 4.10 0.00 2.25 2.06 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 *120 S 9.18 4.39 0.00 4.08 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 0.00 121 G 8.08 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 0.00 122 L 7.96 4.05 0.00 1.86 1.73 1.01 1.05 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 0.00 123 Q 8.21 4.00 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 124 A 7.93 4.00 1.46 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 0.00 0.00 125 L 8.02 3.96 0.00 1.79 2.01 0.57 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.11 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 0.00 0.00 0.00 127 E 8.25 4.15 0.00 2.37 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 128 E 8.14 3.97 0.00 2.29 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 2.28 2.32 0.00 *130 G 8.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.95 3.82 0.00 2.03 2.03 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 132 R 8.08 3.51 0.00 1.75 1.63 0.00 3.14 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 133 L 7.86 4.13 0.00 1.69 1.76 0.91 1.11 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 0.00 134 A 8.26 4.07 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 0.00 135 S 7.63 4.01 0.00 3.74 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 0.00 136 Y 7.53 4.66 0.00 3.06 2.89 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 0.00 137 L 8.12 4.24 0.00 1.88 1.73 0.94 0.97 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 0.00 138 A 7.51 4.47 1.31 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 0.00 0.00 139 A 7.60 4.13 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 * Residues marked with a * may have inaccurate shift predictions.