NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4291 8.3231 115.5486 57.8125 64.5201 172.9381 3 G 4.0946 8.9519 108.6299 45.4796 0.0000 171.4613 4 K 4.7593 9.0023 119.8887 54.1847 35.7909 173.5192 5 L 4.7182 8.4634 126.0573 53.7022 44.0800 174.9394 6 T 4.8586 8.0047 123.3378 61.6539 71.1856 173.5104 7 V 4.7863 8.6547 126.1963 61.1692 34.4611 174.0370 8 I 4.9057 8.6705 129.1480 60.3920 39.2086 174.8065 9 T 5.3896 7.8886 119.9224 61.6179 71.8941 172.9980 10 G 4.0276 8.4101 109.5283 44.0242 0.0000 170.1583 11 P 4.5727 0.0000 0.0000 61.5807 32.9004 175.4961 12 M 3.8124 7.7247 117.4969 56.6662 31.9514 175.6753 13 Y 3.8158 7.7772 115.3751 59.8039 34.4671 170.7705 14 S 4.7436 8.1258 113.5728 57.9839 63.8378 175.4951 15 G 3.8541 8.2850 108.5641 46.6402 0.0000 176.0327 16 K 4.0553 7.5471 119.0877 59.4053 31.8788 179.5249 17 T 3.9095 7.8209 115.5371 67.0806 68.6465 176.9162 18 T 3.8917 7.8889 117.1288 66.3695 68.2155 176.2906 19 E 3.8626 8.1008 120.7174 59.1997 30.1708 178.1397 20 L 4.4548 8.3062 120.6490 58.4909 42.0534 179.0252 21 L 3.9568 8.1906 118.7056 57.4639 41.3100 179.3141 22 S 3.9517 7.8641 115.3373 61.7947 62.5509 176.8277 23 F 4.2863 7.7397 119.7933 60.2475 38.7314 178.0710 24 V 2.5415 7.3463 117.4880 65.6360 31.2827 177.5764 25 E 3.9088 8.2563 119.1452 59.1314 29.4214 178.8698 26 I 3.7225 7.3632 118.7171 64.5885 37.1019 178.0226 27 Y 3.8699 8.0874 117.6026 60.7666 37.7599 178.4502 28 K 4.0375 8.1211 119.4709 59.4326 31.9783 179.3883 29 L 4.1387 7.8934 118.3493 57.6245 41.6159 179.1142 30 G 3.6971 7.8899 102.1513 43.9547 0.0000 173.3708 31 K 3.9258 7.8000 118.9707 57.7702 30.0886 175.0033 32 K 4.8013 8.2449 116.4181 54.2980 35.4631 177.7572 33 K 4.3255 8.6746 124.8138 56.4697 33.3385 176.0513 34 V 5.2852 8.5072 119.0532 59.6522 35.7948 174.7958 35 A 4.5809 9.0433 122.9934 50.5356 22.4763 175.2725 36 V 4.8481 8.0837 122.1859 61.1573 34.6459 174.3675 37 F 5.5807 9.5710 125.2738 55.7744 43.5302 173.8696 38 K 5.2896 9.1892 119.8111 54.8179 36.2625 173.8275 39 P 5.1945 0.0000 0.0000 61.6052 32.8596 176.4074 40 K 4.1733 8.3853 125.5543 54.7984 30.7039 178.2434 *58 V 4.1243 7.9931 127.5200 59.6298 33.2809 179.2598 59 E 3.8286 9.0043 114.5669 57.9821 29.4021 175.5189 60 A 4.6634 8.1889 124.9331 49.3866 21.3802 175.5430 61 H 4.2512 8.6157 121.1224 55.1645 29.9661 174.8959 62 V 4.5912 8.3944 124.6380 62.4333 32.2425 174.9485 63 I 4.8607 8.9505 120.6469 59.7335 41.0870 175.7506 64 E 4.3597 9.2564 121.0247 57.3945 31.0564 177.1057 65 R 4.8836 8.0026 116.3751 53.6712 32.6511 175.4688 66 P 3.9197 0.0000 0.0000 65.7645 31.0287 178.8068 67 E 3.9907 8.1783 116.0102 59.2903 29.4117 178.5745 68 E 4.2465 8.0583 117.6434 58.6105 29.6439 178.6249 69 M 4.0090 7.8755 119.3958 58.4943 31.6573 178.7216 70 R 4.0470 7.9029 116.4489 58.6168 30.2756 178.5251 71 K 3.9936 7.6828 118.1156 58.7571 32.0741 177.1588 72 Y 4.5719 7.9958 113.3629 57.6118 38.7301 175.2897 73 I 4.3893 7.7334 121.7277 59.9385 38.6496 175.4939 74 E 4.5063 8.8666 125.4943 55.0999 30.6437 177.5139 75 E 4.0623 8.7159 119.7557 58.7898 29.6114 177.8446 76 D 4.8223 7.8961 115.5862 52.8366 39.9986 176.3634 77 T 3.9683 7.6128 117.2577 64.8670 68.9559 173.7551 78 R 4.5811 9.3544 125.4169 56.3918 33.1452 176.4198 79 G 4.2497 8.1269 105.1382 44.0482 0.0000 172.1550 80 V 5.1873 8.3257 123.1939 60.8867 35.0067 174.0631 81 F 5.3798 9.5726 126.3361 55.7836 42.3710 174.2422 82 I 5.1859 9.0152 123.9802 59.7699 40.2755 174.6217 83 D 4.9237 9.1378 127.2981 52.9706 43.0175 175.1075 84 E 3.8263 8.7415 117.7393 57.2118 27.4386 177.5418 85 V 3.9870 7.9205 113.2349 63.9633 32.0048 178.8982 86 Q 3.7155 7.6808 117.1991 58.8649 27.9826 177.6355 87 F 4.6819 7.6102 115.1610 58.3970 39.3567 175.7369 88 F 4.6495 7.5724 119.6987 56.0254 40.0106 175.0738 89 N 4.3857 8.9789 121.6247 53.8862 39.2415 173.9330 90 P 4.5603 0.0000 0.0000 64.2638 31.4548 178.7043 91 S 4.2294 8.2641 113.7508 61.0789 62.7285 175.8752 92 L 3.7877 8.0320 124.3181 58.1797 41.5350 178.3846 93 F 4.0180 8.2251 120.3845 61.7501 39.2871 177.0811 94 E 3.8179 8.2592 117.3208 59.1945 29.2225 179.3839 95 V 3.4607 7.6459 118.2639 65.9190 31.5314 178.3385 96 V 3.3581 8.0036 118.2815 65.6775 31.3961 177.5271 97 K 3.5315 7.6511 119.5451 59.8473 31.6485 178.0639 98 D 4.2704 7.6505 116.4457 57.0982 41.5033 177.8567 99 L 4.0668 7.5105 119.4596 57.6811 41.5851 179.3421 100 L 4.0312 7.8500 118.8575 58.1033 41.3775 179.4728 101 D 4.3227 7.8727 117.1174 57.0453 40.7738 178.4079 102 R 4.2399 7.5189 116.5697 56.5296 30.3461 177.2872 103 G 4.0646 8.0085 106.4225 44.9254 0.0000 172.9077 104 I 4.3919 7.5680 121.1665 59.9260 38.8080 174.8466 105 D 4.7359 8.8555 127.8040 54.0675 42.1778 175.5525 106 V 4.5559 8.0931 122.4111 60.9226 34.8186 174.1357 107 F 5.0570 8.9027 125.6503 55.8352 42.4946 173.7070 108 C 5.4083 9.1533 120.4210 57.8438 32.0276 172.8433 109 A 5.1880 8.8659 124.7626 50.1613 22.0123 175.9468 110 G 4.1773 8.0329 106.4008 46.2209 0.0000 172.0327 111 L 4.8039 8.6658 120.2822 53.6603 42.4076 177.4510 112 D 4.5835 8.8275 123.1371 55.3972 40.0391 176.2756 113 L 5.1135 7.5661 117.2621 52.3388 45.2981 176.2126 114 T 4.1056 8.3794 112.4344 60.9674 69.4705 175.2757 115 H 4.9788 8.7820 116.7648 57.5111 28.2954 176.0745 116 K 4.3865 7.7793 117.6019 55.6067 32.1350 176.0041 117 Q 3.4734 7.9796 117.1059 56.8953 26.9185 173.2210 118 N 4.7123 7.5945 114.4359 50.8456 39.9476 173.4155 119 P 4.5605 0.0000 0.0000 63.0509 31.8616 175.9193 120 F 4.3184 8.7320 121.3907 56.9956 39.4125 175.9808 121 E 3.9693 9.1428 126.9829 59.6807 29.4478 178.9555 122 T 3.9508 7.9322 115.2128 66.9381 68.6556 176.6293 123 T 3.8667 8.0435 116.9699 66.6167 68.3380 176.2096 124 A 3.9836 8.0610 122.4430 55.1435 18.3186 179.5943 125 L 3.8158 7.9004 117.3962 58.0458 41.7498 179.7489 126 L 4.1113 8.1586 118.8003 57.9357 41.3197 179.5563 127 L 4.0302 7.9738 118.2486 57.8860 41.6147 179.4977 128 S 4.2717 7.7442 113.4644 61.1413 63.0639 175.8513 129 L 4.1848 7.6719 122.6859 56.0441 42.3184 177.0303 130 A 4.0810 7.2204 121.3735 52.4479 18.9034 176.9478 131 D 4.6299 8.7558 121.5216 56.5642 41.9457 177.4736 132 T 4.7137 7.6350 113.5499 61.6174 73.0646 173.1975 133 V 4.7701 8.4747 124.6175 61.1456 34.4194 174.3745 134 I 4.5005 9.1894 128.9271 59.6258 39.3934 174.5514 135 K 4.9597 8.7255 126.9835 54.9021 33.2606 176.0192 136 K 4.6955 9.0895 125.2271 54.8130 34.4862 175.9225 137 K 4.8333 8.7291 122.0955 54.8875 35.2470 174.8687 138 A 4.9603 8.4346 123.2549 49.9419 22.6158 175.7260 139 V 4.4386 8.3268 119.0707 62.8722 32.5506 175.2988 140 C 4.4976 9.4890 129.1378 59.6919 31.9618 174.0800 141 H 4.2740 9.1630 126.4465 59.0023 29.9517 176.6660 142 R 4.0718 8.1647 118.9106 58.9796 29.9793 176.7247 143 C 4.3325 8.0900 110.6398 57.5384 30.5428 175.0035 144 G 3.9495 8.1748 108.2447 45.9200 0.0000 173.6257 145 E 4.4256 7.5223 119.3280 55.8031 30.6935 175.5590 146 Y 4.9523 8.1909 123.3152 55.8887 37.1152 175.4160 147 N 4.6438 7.8586 113.2329 52.9860 40.0623 175.1096 148 A 4.3759 8.3996 124.4066 52.7462 18.8039 178.2981 149 T 4.7287 8.5310 111.1223 60.9909 70.5471 173.4609 150 L 4.9614 8.2851 121.8485 53.3214 46.5768 175.1784 151 T 5.1502 8.4757 116.3630 61.8786 71.5612 172.9337 152 L 5.0823 9.4404 128.4879 53.2486 44.6960 174.7007 153 K 4.7087 8.6858 127.1000 55.2397 33.1022 176.1382 154 V 4.4006 8.8862 119.1274 61.1604 32.4356 175.9067 155 A 4.2571 7.7855 123.3790 53.6382 23.2106 177.6298 *161 I 4.1658 7.7427 114.9368 60.6653 36.5970 178.2575 162 D 4.5428 8.8236 127.0671 52.0333 42.0834 172.8626 163 V 4.0384 8.3006 122.7605 59.3882 32.3656 173.0824 164 G 4.5134 7.6562 107.0996 44.9915 0.0000 172.9484 165 G 4.1164 8.7579 112.7703 44.9173 0.0000 175.3569 166 Q 4.6349 9.2675 122.0979 56.8991 28.8042 176.4199 167 E 4.3332 8.0728 114.9324 56.9304 30.6847 176.7004 168 K 4.3354 7.8924 118.6189 57.1033 35.7203 175.2004 169 Y 5.3702 8.9915 116.8301 56.1882 41.7600 175.0984 170 I 4.9129 8.8790 122.7458 59.5132 41.5670 174.2174 171 A 5.1789 8.7793 125.7280 51.3362 20.7776 176.7710 172 V 4.9903 8.8192 114.2702 59.7413 36.9406 174.9293 173 C 4.6622 8.6329 117.0821 57.3465 31.1485 174.6800 174 R 3.8528 8.6196 119.8144 59.7501 29.4443 178.0243 175 D 4.4139 8.1728 118.0720 57.8795 40.8381 178.6686 176 C 4.2139 8.0814 116.4978 62.6468 28.2651 175.0057 177 Y 4.0947 8.2963 121.4303 61.2254 38.1293 178.4123 178 N 4.6390 8.1705 115.4212 56.4880 38.6692 177.3527 179 T 4.0669 7.6894 116.4655 66.1170 68.5826 176.1684 180 L 4.2929 7.8292 119.8052 55.6161 42.1713 176.9228 181 K 4.0798 8.3296 122.4300 56.3344 32.3739 175.7402 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 2 S 8.32 4.43 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.95 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 4 K 9.00 4.76 0.00 1.51 1.52 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.44 7.81 5 L 8.46 4.72 0.00 1.57 1.35 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.00 4.86 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 1.06 0.00 0.00 7 V 8.65 4.79 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 0.98 0.00 0.00 0.93 0.00 0.00 8 I 8.67 4.91 1.97 0.00 0.00 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 1.34 0.84 1.01 0.00 0.00 9 T 7.89 5.39 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 1.27 0.00 0.00 10 G 8.41 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 11 P 0.00 4.57 0.00 2.21 2.17 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 12 M 7.72 3.81 0.00 0.63 1.43 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 13 Y 7.78 3.82 0.00 3.25 3.08 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 14 S 8.13 4.74 0.00 4.15 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 15 G 8.29 3.85 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 0.00 0.00 0.00 16 K 7.55 4.06 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 17 T 7.82 3.91 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 1.22 0.00 0.00 18 T 7.89 3.89 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 1.19 0.00 0.00 19 E 8.10 3.86 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 20 L 8.31 4.45 0.00 1.95 1.95 1.27 1.11 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 21 L 8.19 3.96 0.00 1.83 1.62 0.89 0.68 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 22 S 7.86 3.95 0.00 3.78 3.44 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 23 F 7.74 4.29 0.00 3.22 2.45 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 24 V 7.35 2.54 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 0.66 0.00 0.00 0.03 0.00 0.00 25 E 8.26 3.91 0.00 1.98 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 0.00 2.25 2.30 0.00 26 I 7.36 3.72 2.18 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 1.62 1.04 0.87 0.00 0.00 27 Y 8.09 3.87 0.00 3.10 3.19 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 28 K 8.12 4.04 0.00 1.80 1.83 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 29 L 7.89 4.14 0.00 1.83 1.71 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.89 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.80 3.93 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.53 7.81 32 K 8.24 4.80 0.00 1.97 1.98 0.00 1.46 0.00 0.00 1.42 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 33 K 8.67 4.33 0.00 1.95 1.94 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.59 7.81 34 V 8.51 5.29 2.27 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 0.92 0.00 0.00 0.87 0.00 0.00 35 A 9.04 4.58 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.08 4.85 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 0.88 0.00 0.00 0.78 0.00 0.00 37 F 9.57 5.58 0.00 2.94 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 38 K 9.19 5.29 0.00 1.83 1.92 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.41 7.81 39 P 0.00 5.19 0.00 1.74 0.87 0.00 3.39 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 40 K 8.39 4.17 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.43 7.81 *58 V 7.99 4.12 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 0.77 0.00 0.00 0.93 0.00 0.00 59 E 9.00 3.83 0.00 1.98 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 2.24 1.91 0.00 60 A 8.19 4.66 1.13 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 61 H 8.62 4.25 0.00 2.38 2.35 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.39 4.59 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 0.83 0.00 0.00 0.94 0.00 0.00 63 I 8.95 4.86 2.20 0.00 0.00 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 1.65 1.02 1.15 0.00 0.00 64 E 9.26 4.36 0.00 2.06 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 2.25 2.28 0.00 65 R 8.00 4.88 0.00 2.05 2.03 0.00 3.18 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 66 P 0.00 3.92 0.00 2.07 1.87 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 67 E 8.18 3.99 0.00 1.92 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 2.32 2.46 0.00 68 E 8.06 4.25 0.00 2.25 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 0.00 2.40 2.40 0.00 69 M 7.88 4.01 0.00 1.44 1.83 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.81 0.00 70 R 7.90 4.05 0.00 1.76 1.99 0.00 3.19 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 71 K 7.68 3.99 0.00 1.88 1.18 0.00 1.43 0.00 0.00 1.59 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.40 7.81 72 Y 8.00 4.57 0.00 3.19 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 73 I 7.73 4.39 1.96 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 1.57 0.82 0.96 0.00 0.00 74 E 8.87 4.51 0.00 2.11 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 0.00 2.33 2.34 0.00 75 E 8.72 4.06 0.00 1.95 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 2.32 2.37 0.00 76 D 7.90 4.82 0.00 2.80 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 77 T 7.61 3.97 4.40 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 1.30 0.00 0.00 78 R 9.35 4.58 0.00 2.05 2.19 0.00 3.29 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 79 G 8.13 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 80 V 8.33 5.19 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 1.20 0.00 0.00 1.05 0.00 0.00 81 F 9.57 5.38 0.00 2.95 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 82 I 9.02 5.19 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.90 1.03 0.00 0.00 83 D 9.14 4.92 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.74 3.83 0.00 2.20 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 2.34 2.32 0.00 85 V 7.92 3.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 86 Q 7.68 3.72 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 87 F 7.61 4.68 0.00 2.89 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 88 F 7.57 4.65 0.00 3.30 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 89 N 8.98 4.39 0.00 2.83 2.80 0.00 0.00 7.08 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 90 P 0.00 4.56 0.00 2.23 2.10 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 91 S 8.26 4.23 0.00 4.15 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 92 L 8.03 3.79 0.00 1.82 1.79 0.56 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.23 4.02 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.26 3.82 0.00 2.04 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 2.55 2.36 0.00 95 V 7.65 3.46 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 0.81 0.00 0.00 0.87 0.00 0.00 96 V 8.00 3.36 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 0.73 0.00 0.00 0.79 0.00 0.00 97 K 7.65 3.53 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 0.00 106 V 8.09 4.56 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 0.88 0.00 0.00 0.79 0.00 0.00 107 F 8.90 5.06 0.00 2.64 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 0.00 108 C 9.15 5.41 0.00 2.81 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 0.00 109 A 8.87 5.19 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 0.00 110 G 8.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.67 4.80 0.00 1.32 1.65 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.83 4.58 0.00 2.92 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 L 7.57 5.11 0.00 1.57 1.49 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.38 4.11 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 0.17 0.00 0.00 115 H 8.78 4.98 0.00 3.52 3.82 0.00 5.12 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.78 4.39 0.00 1.66 1.84 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.09 7.81 117 Q 7.98 3.47 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.72 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 118 N 7.59 4.71 0.00 2.63 2.58 0.00 0.00 6.80 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 0.00 119 P 0.00 4.56 0.00 2.15 2.05 0.00 3.69 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 1.94 1.96 0.00 120 F 8.73 4.32 0.00 3.22 2.88 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 0.00 121 E 9.14 3.97 0.00 2.05 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 2.40 2.40 0.00 122 T 7.93 3.95 4.31 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 1.33 0.00 0.00 123 T 8.04 3.87 4.48 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 1.26 0.00 0.00 124 A 8.06 3.98 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 0.00 125 L 7.90 3.82 0.00 1.90 1.44 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.16 4.11 0.00 1.86 1.73 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.97 4.03 0.00 1.78 1.74 0.93 0.76 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 0.00 128 S 7.74 4.27 0.00 3.97 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 0.00 129 L 7.67 4.18 0.00 2.03 1.96 0.74 0.54 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 0.00 130 A 7.22 4.08 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 0.00 131 D 8.76 4.63 0.00 2.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.64 4.71 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 1.24 0.00 0.00 133 V 8.47 4.77 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 0.83 0.00 0.00 0.92 0.00 0.00 134 I 9.19 4.50 1.98 0.00 0.00 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 1.34 0.86 1.01 0.00 0.00 135 K 8.73 4.96 0.00 1.63 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 136 K 9.09 4.70 0.00 1.69 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.61 7.81 137 K 8.73 4.83 0.00 1.42 1.72 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.30 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.28 1.30 7.81 138 A 8.43 4.96 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 0.00 139 V 8.33 4.44 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 0.82 0.00 0.00 0.98 0.00 0.00 140 C 9.49 4.50 0.00 3.22 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 0.00 141 H 9.16 4.27 0.00 3.32 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.16 4.07 0.00 1.87 1.97 0.00 3.30 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 143 C 8.09 4.33 0.00 3.16 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 0.00 144 G 8.17 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 0.00 145 E 7.52 4.43 0.00 2.19 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 2.34 2.41 0.00 146 Y 8.19 4.95 0.00 2.81 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 0.00 147 N 7.86 4.64 0.00 2.79 2.79 0.00 0.00 6.33 7.26 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 0.00 148 A 8.40 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 0.00 149 T 8.53 4.73 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 1.18 0.00 0.00 150 L 8.29 4.96 0.00 1.62 1.49 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.48 5.15 4.35 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 1.35 0.00 0.00 152 L 9.44 5.08 0.00 1.82 1.58 0.43 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.69 4.71 0.00 1.65 1.50 0.00 1.37 0.00 0.00 1.38 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.01 0.63 7.81 154 V 8.89 4.40 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 0.70 0.00 0.00 0.92 0.00 0.00 155 A 7.79 4.26 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 *161 I 7.74 4.17 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 1.27 0.74 0.91 0.00 0.00 162 D 8.82 4.54 0.00 2.65 2.45 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 0.00 163 V 8.30 4.04 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 0.89 0.00 0.00 0.93 0.00 0.00 164 G 7.66 4.51 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 0.00 165 G 8.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 9.27 4.63 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.93 0.00 0.00 0.00 0.00 0.00 1.65 2.25 0.00 167 E 8.07 4.33 0.00 2.07 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 0.00 2.26 2.25 0.00 168 K 7.89 4.34 0.00 1.77 1.71 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.83 1.25 7.81 169 Y 8.99 5.37 0.00 3.00 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 0.00 170 I 8.88 4.91 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.78 0.85 0.00 0.00 171 A 8.78 5.18 1.50 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 0.00 172 V 8.82 4.99 2.21 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 0.84 0.00 0.00 1.18 0.00 0.00 173 C 8.63 4.66 0.00 3.13 3.26 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 0.00 174 R 8.62 3.85 0.00 1.87 1.97 0.00 3.17 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 175 D 8.17 4.41 0.00 2.76 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 0.00 176 C 8.08 4.21 0.00 3.18 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 0.00 177 Y 8.30 4.09 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.17 4.64 0.00 3.05 2.94 0.00 0.00 7.16 7.56 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 0.00 179 T 7.69 4.07 4.44 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 1.22 0.00 0.00 180 L 7.83 4.29 0.00 1.61 1.65 0.94 0.70 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 0.00 181 K 8.33 4.08 0.00 1.30 1.50 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 1.04 7.81 * Residues marked with a * may have inaccurate shift predictions.