NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 K 4.1172 8.3101 122.1404 54.5732 33.8088 174.9866 *15 A 4.3515 8.0586 121.4775 51.4061 21.1815 176.1003 16 I 4.4993 7.7938 116.4901 60.4942 37.3209 175.2662 17 L 5.0003 8.8301 126.8783 52.3141 46.0883 176.3881 18 K 3.9571 8.5820 123.2937 56.1394 32.7101 176.2458 19 L 4.0252 8.2731 127.9647 55.8405 43.5335 174.9130 20 D 4.5462 7.2041 115.7497 52.4356 44.4342 174.7065 21 E 3.7094 8.7484 121.4474 59.1991 29.4322 177.4042 22 H 4.7828 7.8663 112.6488 54.8837 29.6950 172.2813 23 L 5.1871 7.7892 122.2970 53.7796 44.8176 174.8955 24 Y 5.1032 9.3885 124.9436 56.5251 40.5711 174.8703 25 I 5.6809 8.5905 115.2564 58.8524 41.6604 173.9488 26 S 5.2636 8.5111 115.1798 57.2894 65.8541 172.1080 27 P 5.0516 0.0000 0.0000 61.9653 32.6922 175.1468 28 Q 4.2941 8.3268 120.6777 56.1509 28.9839 177.0704 29 L 4.3156 7.8622 126.2225 54.6899 42.6592 175.8599 30 T 4.8483 8.8227 110.9572 58.6990 72.3483 174.7541 31 K 3.1759 8.0329 121.4457 59.3923 31.4559 178.1937 32 A 3.9790 7.0553 118.9926 54.3588 18.5675 178.4323 33 D 4.4374 8.0521 116.4411 55.2076 40.9498 178.0865 34 A 3.9926 7.7235 122.5300 55.2675 18.3662 179.3287 35 E 3.8481 8.0795 116.3221 59.8377 29.6365 179.4121 36 Q 3.9507 7.9425 118.8440 59.0576 29.0728 177.9487 37 I 3.5969 7.8558 120.7636 64.2707 37.1627 178.2495 38 A 4.1987 8.1767 123.1582 54.6816 17.9793 179.4676 39 Q 3.9080 7.8844 117.1331 59.1901 29.2367 177.9763 40 L 4.1759 7.9244 118.1387 54.7354 41.8296 177.2072 41 G 3.8613 7.7560 106.6766 46.0605 0.0000 173.9592 42 I 3.7338 7.2814 120.0023 61.8672 37.0609 176.4203 43 K 4.4866 9.2250 125.0132 56.8045 34.8925 176.2471 44 T 4.9057 7.7099 115.9794 61.6489 72.9045 172.7376 45 I 5.0747 8.5339 126.6878 59.5929 40.2178 174.4845 46 I 4.8801 8.9405 127.8411 59.6539 40.1254 173.9430 47 C 3.9928 8.4844 128.1681 57.4089 33.1314 173.2489 48 N 5.6869 8.7158 123.2409 52.2573 39.6663 173.8182 49 R 4.8028 7.4388 119.6483 53.5975 31.8764 174.1220 50 P 4.4090 0.0000 0.0000 62.5646 32.0553 176.0423 51 D 4.5296 8.4538 121.0539 55.8278 41.3031 176.1874 52 R 4.0187 8.6680 118.4751 57.5381 27.0820 177.9330 53 E 4.1854 8.5513 120.2068 58.7603 29.9688 177.4150 54 E 4.8045 8.1465 118.4762 54.7310 33.5958 176.9570 55 E 4.0584 8.8894 117.6064 59.0778 29.9120 179.4458 56 S 4.3727 7.9574 111.5863 59.5023 63.6209 173.9592 57 Q 4.1499 7.7027 123.8021 55.1142 29.0315 173.8839 58 P 4.4272 0.0000 0.0000 62.4377 32.2902 176.7119 59 D 4.7547 8.3862 121.8632 53.9722 42.8517 177.4598 60 F 4.3015 9.3308 124.3550 61.6154 39.3581 177.5727 61 A 3.7298 7.9463 119.8481 55.0065 18.1362 179.1649 62 Q 3.4202 7.5887 117.5082 58.7040 29.0799 177.9487 63 I 3.6903 7.2568 120.9446 64.1288 37.1895 178.0564 64 K 3.0044 7.5118 120.6534 59.3731 31.5844 178.5768 65 Q 3.8088 7.2486 116.5932 58.8796 28.5909 178.8819 66 W 4.5434 7.9527 119.7337 59.5911 29.0868 178.1588 67 L 4.5015 8.3495 117.7703 56.2132 41.2114 178.7525 68 E 4.4223 8.2141 118.2497 59.0105 29.4197 178.1358 69 Q 4.4065 7.6622 114.3682 56.1170 28.9299 175.9306 70 A 4.5693 8.4558 123.3662 51.7817 19.4033 178.1532 71 G 4.0553 8.4194 105.4192 45.9307 0.0000 174.2059 72 V 3.9503 7.4864 119.8264 62.6130 32.1360 175.3344 73 T 4.5822 8.4827 116.6477 61.3901 70.9381 174.5330 74 G 4.2479 7.6756 109.0685 44.2631 0.0000 172.0826 75 F 5.5614 8.6282 121.0855 56.0495 43.0828 173.8214 76 H 4.9469 9.6725 120.1959 54.3692 32.7613 171.8827 77 H 4.3958 8.9811 123.6707 54.4524 30.3860 174.5095 78 Q 4.7201 8.7378 129.6769 53.6108 28.2561 172.3777 79 P 4.7091 0.0000 0.0000 62.8546 32.5963 177.3983 80 V 4.6998 8.3551 115.4813 60.1531 36.5166 174.4276 81 T 4.5928 8.2202 110.6542 59.4834 71.2439 175.0795 82 A 3.9252 8.6988 126.5491 55.5376 18.7086 179.8465 83 R 4.0019 8.3990 116.9646 60.0440 30.0782 177.4396 84 D 4.7561 7.6542 112.8712 52.6616 40.2374 178.2930 85 I 3.8514 7.2023 119.4609 62.9324 37.6641 175.8856 86 Q 4.6255 9.2481 126.0343 53.5249 33.5445 177.1975 87 K 3.8247 8.4353 124.9454 60.5500 31.4380 176.3566 88 H 4.3886 8.2405 115.8634 58.8085 28.2186 177.2820 89 D 4.2816 7.6797 120.9718 56.9178 40.7649 178.6521 90 V 3.6491 7.5737 118.3071 66.3041 31.5129 178.0220 91 E 4.1066 8.3494 118.1128 59.4387 29.1722 179.3791 92 T 3.8815 8.1482 116.1599 66.4937 68.4963 176.3677 93 F 4.1485 8.4933 122.6031 61.2519 39.3886 176.9617 94 R 3.9225 8.2400 118.3572 59.7631 29.8430 178.5124 95 Q 3.9688 8.3349 117.7459 58.8831 28.4901 178.5929 96 L 3.8640 7.8805 119.1822 57.8892 41.9740 179.4053 97 I 3.9482 7.7255 119.7734 64.3342 36.8090 178.7514 98 G 3.7706 8.1295 105.6231 47.1264 0.0000 174.6749 99 Q 4.4208 7.7093 116.8350 54.6193 29.5256 175.6293 100 A 4.3212 6.8539 123.3748 50.9719 19.7213 177.4177 101 E 3.8315 8.2790 119.5099 56.3671 30.2366 176.5544 102 Y 4.9317 7.8086 120.2719 55.9130 40.0683 173.7281 103 P 4.9388 0.0000 0.0000 62.8546 33.5641 174.7945 104 V 4.7857 9.0972 121.0674 61.3621 33.8853 174.1234 105 L 5.3897 9.1714 129.3895 53.3690 44.5489 174.6116 106 A 5.5713 9.2742 128.8541 50.5618 21.8121 174.8649 107 Y 5.7153 9.2239 118.8850 54.8013 42.4724 173.5449 108 C 4.3783 8.3082 114.1276 57.6635 32.8183 174.6942 109 R 4.2801 9.0744 115.9703 59.4398 30.3490 179.5042 110 T 4.4845 8.4060 105.2879 60.6962 70.7186 174.7334 111 G 4.0273 8.3593 110.6657 45.6587 0.0000 175.3855 112 T 3.7840 8.0877 117.1083 66.7173 68.3378 176.6240 113 R 3.7172 7.7848 119.2679 59.4109 30.1386 178.6636 114 C 3.7074 7.9049 115.9324 62.9961 28.0993 176.3370 115 S 4.1126 8.0753 116.5487 61.3962 62.3088 176.8328 116 L 3.5585 7.9268 122.0323 57.4522 41.3560 179.3521 117 L 3.9784 7.8226 119.2158 57.4208 41.4360 179.3749 118 W 4.4232 8.2590 128.4139 60.6455 30.7285 178.3440 119 G 3.3242 8.5547 106.0631 47.6745 0.0000 175.6333 120 F 4.3698 8.2677 120.5875 60.3484 38.8701 177.8162 121 R 3.8653 7.6238 117.6848 59.4198 29.6947 178.7076 122 R 3.6279 7.2519 116.5409 58.9485 30.2319 178.5585 123 A 4.0597 8.0170 120.2962 55.2027 18.2141 179.4117 124 A 4.0576 7.6551 117.8097 55.4210 18.5452 179.0781 125 E 4.3326 7.8544 114.2413 56.1141 29.7274 177.4292 126 G 3.6956 7.5735 107.8942 45.7945 0.0000 172.0419 *128 P 4.1905 0.0000 0.0000 61.5745 33.9036 177.8040 129 V 3.6127 8.1543 119.8696 66.3869 31.4917 178.2122 130 D 4.3690 8.1122 118.1416 57.2950 40.5702 178.3282 131 E 3.9489 8.1111 119.4086 59.1364 29.7133 178.4410 132 I 3.8889 7.8298 119.9176 64.8009 37.2718 178.4243 133 I 3.7473 7.9895 120.3904 64.3360 36.9271 178.5300 134 R 3.9129 8.2619 119.6741 59.5489 29.5681 178.8324 135 R 3.9003 8.5039 118.0571 59.2115 30.0965 178.9510 136 A 3.8071 8.3025 120.7772 55.0668 18.2719 179.4787 137 Q 4.2158 8.5281 119.2636 58.6630 28.8951 178.1939 138 A 4.0290 7.9121 120.5390 53.8141 18.3282 178.2673 139 A 4.5760 7.2644 117.8326 51.6785 19.6242 177.6357 140 G 3.8609 8.3436 107.2975 46.4880 0.0000 174.0557 141 V 4.2496 7.8333 119.3410 60.6105 33.8603 173.8802 142 N 4.8048 8.8278 125.8646 52.7191 39.1864 173.9555 143 L 4.9408 8.3505 124.9022 54.7063 42.3842 178.3640 144 E 3.9765 8.8430 122.5952 59.6845 29.3910 178.6645 145 N 4.4622 8.0558 113.2210 54.5016 38.8254 175.2607 146 F 4.7888 8.2506 117.2574 57.0550 39.9881 177.0112 147 R 3.9283 7.9884 123.2858 59.8730 29.6814 178.4147 148 E 4.0012 8.1546 117.5162 59.6078 29.3368 179.4642 149 R 4.1130 8.0446 116.4705 59.1594 30.5788 178.6178 150 L 4.3106 8.3706 119.0936 57.8060 41.6018 178.9517 151 D 4.3531 8.3514 118.0152 57.5461 41.0385 177.9570 152 N 4.4832 8.1563 114.4891 55.1476 38.5978 176.2548 153 A 4.2735 7.7706 121.1988 51.9312 19.4446 177.3485 154 R 4.2910 7.5049 116.9948 55.6500 30.9415 177.8078 *155 V 3.9054 8.2179 116.5556 61.1750 32.3226 174.1696 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 *13 K 8.31 4.12 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *15 A 8.06 4.35 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 16 I 7.79 4.50 1.86 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 1.36 0.59 0.88 0.00 0.00 17 L 8.83 5.00 0.00 1.69 1.48 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.58 3.96 0.00 1.26 1.47 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.13 1.01 7.81 19 L 8.27 4.03 0.00 1.21 1.21 0.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.20 4.55 0.00 2.66 2.47 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 0.00 21 E 8.75 3.71 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.13 0.00 22 H 7.87 4.78 0.00 2.64 2.55 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.79 5.19 0.00 1.72 1.37 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.39 5.10 0.00 2.97 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 25 I 8.59 5.68 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.90 0.00 0.00 26 S 8.51 5.26 0.00 3.95 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 27 P 0.00 5.05 0.00 2.15 2.12 0.00 3.88 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 2.01 1.99 0.00 28 Q 8.33 4.29 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 29 L 7.86 4.32 0.00 1.13 1.40 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.82 4.85 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 1.21 0.00 0.00 31 K 8.03 3.18 0.00 0.79 0.98 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.67 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.84 0.21 7.81 32 A 7.06 3.98 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 33 D 8.05 4.44 0.00 2.80 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 34 A 7.72 3.99 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 35 E 8.08 3.85 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.95 0.00 36 Q 7.94 3.95 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 37 I 7.86 3.60 2.06 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 1.40 1.26 0.90 0.00 0.00 38 A 8.18 4.20 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 39 Q 7.88 3.91 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 40 L 7.92 4.18 0.00 1.58 1.34 0.47 0.62 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 41 G 7.76 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 0.00 0.00 0.00 42 I 7.28 3.73 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.90 0.00 0.00 43 K 9.23 4.49 0.00 1.65 1.77 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.53 7.81 44 T 7.71 4.91 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 1.23 0.00 0.00 45 I 8.53 5.07 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.21 1.53 0.00 0.00 46 I 8.94 4.88 2.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 1.03 0.00 0.00 47 C 8.48 3.99 0.00 2.34 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 0.00 0.00 0.00 48 N 8.72 5.69 0.00 2.54 2.67 0.00 0.00 6.31 7.64 0.00 0.00 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 R 7.44 4.80 0.00 1.75 1.79 0.00 3.44 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 50 P 0.00 4.41 0.00 2.10 1.98 0.00 3.90 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 2.03 2.10 0.00 51 D 8.45 4.53 0.00 2.73 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 52 R 8.67 4.02 0.00 2.01 2.11 0.00 3.39 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 53 E 8.55 4.19 0.00 2.20 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 2.37 2.49 0.00 54 E 8.15 4.80 0.00 2.01 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 2.31 2.31 0.00 55 E 8.89 4.06 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 2.23 1.87 0.00 56 S 7.96 4.37 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.70 4.15 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 58 P 0.00 4.43 0.00 2.17 2.05 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 59 D 8.39 4.75 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.33 4.30 0.00 2.84 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 61 A 7.95 3.73 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 62 Q 7.59 3.42 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 63 I 7.26 3.69 1.97 0.00 0.00 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 1.61 0.90 1.04 0.00 0.00 64 K 7.51 3.00 0.00 0.79 1.27 0.00 1.11 0.00 0.00 1.22 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.65 0.21 7.81 65 Q 7.25 3.81 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 66 W 7.95 4.54 0.00 3.56 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.35 4.50 0.00 2.06 1.90 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.21 4.42 0.00 1.93 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 2.47 2.18 0.00 69 Q 7.66 4.41 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 70 A 8.46 4.57 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 71 G 8.42 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 72 V 7.49 3.95 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 0.15 0.00 0.00 1.02 0.00 0.00 73 T 8.48 4.58 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 1.22 0.00 0.00 74 G 7.68 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 75 F 8.63 5.56 0.00 2.91 3.21 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 76 H 9.67 4.95 0.00 3.04 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.98 4.40 0.00 2.91 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.74 4.72 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 79 P 0.00 4.71 0.00 2.04 1.88 0.00 3.67 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 80 V 8.36 4.70 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 0.72 0.00 0.00 0.92 0.00 0.00 81 T 8.22 4.59 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 82 A 8.70 3.93 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 83 R 8.40 4.00 0.00 1.84 2.02 0.00 3.26 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 84 D 7.65 4.76 0.00 2.77 2.53 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 85 I 7.20 3.85 1.93 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 1.26 1.18 0.91 0.00 0.00 86 Q 9.25 4.63 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 87 K 8.44 3.82 0.00 1.76 1.84 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.09 7.81 88 H 8.24 4.39 0.00 3.30 3.56 0.00 5.43 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.68 4.28 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.57 3.65 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 1.10 0.00 0.00 1.01 0.00 0.00 91 E 8.35 4.11 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 92 T 8.15 3.88 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 1.25 0.00 0.00 93 F 8.49 4.15 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.24 3.92 0.00 2.01 2.16 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 95 Q 8.33 3.97 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 96 L 7.88 3.86 0.00 1.57 1.55 0.90 0.84 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 97 I 7.73 3.95 1.88 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.98 0.00 0.00 98 G 8.13 3.77 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 0.00 0.00 0.00 99 Q 7.71 4.42 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 100 A 6.85 4.32 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 0.00 101 E 8.28 3.83 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 102 Y 7.81 4.93 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.94 0.00 2.41 2.42 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 104 V 9.10 4.79 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 1.01 0.00 0.00 1.14 0.00 0.00 105 L 9.17 5.39 0.00 1.79 1.56 1.09 0.91 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 0.00 106 A 9.27 5.57 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 0.00 107 Y 9.22 5.72 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.31 4.38 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 0.00 109 R 9.07 4.28 0.00 1.98 2.01 0.00 3.16 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 110 T 8.41 4.48 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 1.25 0.00 0.00 111 G 8.36 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 0.00 112 T 8.09 3.78 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 1.12 0.00 0.00 113 R 7.78 3.72 0.00 1.76 1.85 0.00 3.30 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 114 C 7.90 3.71 0.00 3.04 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 0.00 115 S 8.08 4.11 0.00 3.91 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 0.00 116 L 7.93 3.56 0.00 1.55 1.30 -0.09 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.82 3.98 0.00 0.73 1.12 0.46 1.03 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 0.00 118 W 8.26 4.42 0.00 3.56 3.45 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 0.00 119 G 8.55 3.32 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 0.00 120 F 8.27 4.37 0.00 3.06 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 0.00 121 R 7.62 3.87 0.00 2.08 2.02 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 122 R 7.25 3.63 0.00 1.45 1.56 0.00 2.50 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 123 A 8.02 4.06 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 0.00 124 A 7.66 4.06 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 0.00 125 E 7.85 4.33 0.00 2.02 1.95 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 2.30 2.44 0.00 126 G 7.57 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 *128 P 0.00 4.19 0.00 2.20 2.02 0.00 3.60 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 2.01 2.14 0.00 129 V 8.15 3.61 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 1.17 0.00 0.00 0.97 0.00 0.00 130 D 8.11 4.37 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.11 3.95 0.00 2.10 2.14 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 2.41 2.53 0.00 132 I 7.83 3.89 2.05 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.98 0.00 0.00 133 I 7.99 3.75 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 0.99 0.00 0.00 134 R 8.26 3.91 0.00 1.96 2.10 0.00 3.10 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 1.64 1.68 0.00 135 R 8.50 3.90 0.00 2.31 1.93 0.00 3.48 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 136 A 8.30 3.81 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 0.00 137 Q 8.53 4.22 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 138 A 7.91 4.03 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 0.00 139 A 7.26 4.58 1.15 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 0.00 140 G 8.34 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 0.00 0.00 0.00 141 V 7.83 4.25 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 0.95 0.00 0.00 0.93 0.00 0.00 142 N 8.83 4.80 0.00 2.74 2.75 0.00 0.00 7.09 7.78 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 0.00 143 L 8.35 4.94 0.00 1.80 1.74 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.84 3.98 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 145 N 8.06 4.46 0.00 2.23 2.42 0.00 0.00 6.74 7.45 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 0.00 146 F 8.25 4.79 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.93 0.00 1.97 1.96 0.00 3.10 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 1.66 1.72 0.00 148 E 8.15 4.00 0.00 2.08 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 2.41 2.41 0.00 149 R 8.04 4.11 0.00 2.23 2.38 0.00 3.39 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 150 L 8.37 4.31 0.00 1.89 1.72 0.90 0.40 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 0.00 151 D 8.35 4.35 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 0.00 152 N 8.16 4.48 0.00 2.79 2.88 0.00 0.00 7.05 7.07 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 0.00 153 A 7.77 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.29 0.00 2.19 2.03 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 *155 V 8.22 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.