NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3720 8.4449 116.7555 55.3729 31.4953 175.5222 5 K 4.2891 8.3864 122.4045 53.6588 33.0083 176.1550 6 T 4.2062 9.7576 114.2078 61.0475 71.7368 173.5043 7 P 4.3333 0.0000 0.0000 65.7309 31.2550 178.8185 8 W 4.0845 8.3152 126.5680 60.3608 30.6206 177.5738 9 E 3.8428 8.3330 118.5572 59.5122 28.9765 179.2449 10 L 3.9632 8.2076 119.1216 57.9282 41.6295 179.9579 11 V 3.5817 7.8451 117.8392 66.1859 31.5333 178.2322 12 I 3.4565 7.6073 119.8726 64.1872 36.5633 178.2503 13 D 4.3135 8.0155 119.3304 57.2756 40.7317 178.2610 14 F 4.2699 7.9765 120.1941 61.4989 39.4654 176.3914 15 H 4.2419 8.4454 117.5070 57.1390 29.8335 176.2296 16 G 3.8308 10.0453 108.2405 45.1504 0.0000 171.8602 17 H 4.5817 7.0848 112.6800 55.2588 30.9170 172.8290 18 T 4.4968 8.4393 116.4425 61.8705 69.8679 174.1330 19 C 5.0065 8.3033 120.7107 55.0479 34.3995 172.9636 20 P 4.3951 0.0000 0.0000 65.8219 30.8910 178.5561 21 D 4.4825 8.1642 116.6015 57.2807 41.2011 177.9400 22 I 3.7281 7.8899 118.6358 63.8392 38.0159 177.5839 23 A 4.3679 8.1366 121.4887 55.0459 18.1353 179.2504 24 L 4.3102 8.3500 117.7851 58.3846 41.8413 180.1326 25 G 3.6309 8.4266 105.2647 47.9299 0.0000 174.9142 26 Y 4.1829 8.5973 122.2830 60.6932 38.8540 178.6207 27 R 3.6791 8.1631 118.9161 59.0432 30.0102 178.9873 28 I 3.4848 8.1555 119.7135 64.2713 37.0714 178.1689 29 A 3.9208 8.1666 121.8247 55.4710 18.2087 179.7804 30 Q 3.6948 7.7445 116.2418 58.6614 28.6139 178.8210 31 L 3.7754 7.6698 120.0337 57.4096 41.3436 179.3198 32 A 3.4829 7.0653 120.1151 54.9178 18.1776 179.0489 33 Q 3.8834 7.5411 116.9530 59.1393 29.0996 178.4386 34 R 3.9474 7.5945 118.6486 59.1633 30.9621 178.5179 35 E 4.2684 8.0173 117.6435 56.6289 29.1057 175.7562 *37 G 3.8606 7.8198 107.3292 45.3042 0.0000 171.8390 38 I 3.9020 8.1550 119.8819 60.3995 37.6154 176.1810 39 R 2.5100 8.4391 125.5917 55.8390 29.9885 174.6083 40 P 4.2757 0.0000 0.0000 64.6380 32.2121 175.7315 41 A 4.5449 7.1438 120.2052 50.3594 21.7913 175.1974 42 P 4.2516 0.0000 0.0000 65.3647 31.4806 177.5265 43 D 4.5929 7.8973 114.8728 53.6734 39.9440 176.0113 44 S 4.4100 7.7783 116.2901 58.2140 63.0917 172.7314 45 E 4.8459 9.1277 127.7067 54.3914 32.6421 174.2220 46 C 4.8380 8.9307 126.6355 59.2073 32.2880 172.3409 47 L 5.0015 9.1511 127.1767 53.1237 44.1982 175.8274 48 V 4.5820 8.8975 122.2222 60.8882 35.0796 173.8070 49 K 4.8781 9.0864 129.2160 54.5567 34.3364 174.3382 50 A 4.8803 8.7541 129.5500 50.3494 21.7737 175.8480 51 Y 4.9255 8.0969 117.5808 57.4510 39.2135 174.8521 52 T 4.9994 7.2815 112.6957 60.8777 70.7286 172.4501 53 Q 4.4310 9.1157 128.8586 54.5721 30.0509 174.9393 54 S 4.6663 8.2385 118.4044 56.2574 66.1609 174.3865 55 C 4.0323 9.1428 117.0280 63.3153 27.6948 176.0304 56 A 4.0826 8.8417 122.3472 55.7115 17.7703 179.6817 57 L 4.0411 8.1955 117.0131 58.0024 41.6646 179.4691 58 D 4.5579 8.5625 119.1152 57.2587 40.6490 178.5703 59 A 4.0768 7.9993 120.9845 55.0537 18.3389 179.8017 60 I 4.0221 7.5727 119.1542 64.1520 37.4014 178.2586 61 Q 4.2383 8.2280 120.5320 58.3772 28.3387 179.5580 62 V 3.4000 7.2800 117.3575 65.7158 31.6931 177.3612 63 L 4.3473 7.9501 116.9191 56.3290 41.8396 177.8300 64 N 4.6608 8.2664 114.1894 52.3758 38.6444 176.3927 65 K 3.8009 8.0589 117.4327 56.7046 29.6322 175.7769 66 A 4.4504 7.3811 124.5336 50.9969 18.4240 177.0228 67 T 4.6998 7.8177 111.3171 60.3449 71.6951 175.9807 68 I 3.6861 8.7448 123.0974 63.9788 38.2356 178.5983 69 G 3.6445 8.0935 108.2882 48.4144 0.0000 174.1367 70 R 4.2325 7.7770 116.0797 55.9536 30.2166 176.0052 71 H 4.0023 7.8488 113.6355 56.7941 27.0873 175.3087 72 A 4.4746 7.9002 122.2027 52.4126 20.6490 177.3311 73 L 4.9144 7.8615 117.6165 53.5734 43.6633 175.6847 74 I 4.4330 8.7582 127.7687 59.6082 39.8400 174.4844 75 I 4.5285 8.3052 128.1982 59.7115 38.8601 175.3229 76 E 4.3025 8.7040 129.4174 53.8512 30.5909 173.3454 77 E 4.0921 8.5391 126.1825 55.8710 29.8144 175.5811 78 T 4.5182 8.7054 116.3552 60.7976 69.7309 173.9963 79 H 4.2896 8.4369 116.8438 57.4560 26.7024 174.6726 80 R 4.5918 7.2401 114.1537 54.4839 32.7547 175.2826 81 Y 3.9849 8.5744 120.4237 57.4214 39.0214 174.0479 *83 Y 4.8681 8.2778 121.8471 57.9442 40.1179 174.1841 84 Q 5.3561 9.2808 123.2333 54.2618 31.6638 174.5359 85 F 5.4039 9.6654 123.0071 56.0879 42.4399 174.2262 86 H 5.1958 9.1673 122.0389 54.8805 33.7887 171.9480 87 F 5.3935 8.7650 124.8423 56.5533 40.2293 175.5860 88 T 4.1035 8.7857 115.2621 63.1095 69.0344 174.8792 89 G 3.9394 9.1264 112.5510 45.4570 0.0000 173.1840 90 T 4.4829 7.3343 109.2892 60.7738 70.8626 174.2495 91 Q 4.6416 8.4899 117.5003 55.9320 30.0577 175.1478 92 D 5.4684 7.9308 117.7252 52.4654 44.2165 175.2899 93 I 4.7022 9.0016 123.1267 60.0449 39.9699 174.4507 94 H 5.0237 9.5550 125.0031 54.6396 30.1005 173.4899 95 Q 5.2473 8.9500 126.2853 54.3421 31.0681 174.1973 96 F 5.4462 9.7004 125.2613 56.0532 42.1989 174.5858 97 T 4.8833 8.9979 120.3387 61.4449 71.2324 173.8197 98 V 3.8184 8.7338 127.6923 62.5824 32.6554 176.0306 99 S 4.2126 8.7390 124.3019 58.2557 63.2298 173.9036 100 P 4.2680 0.0000 0.0000 65.6479 31.0927 178.7568 101 A 4.0182 7.9932 119.2728 54.8491 18.3244 179.7349 102 V 4.0618 7.6814 117.9299 65.8090 31.6486 178.3146 103 L 3.9444 7.8646 118.3063 57.6641 41.6186 178.7567 104 D 4.3043 8.3923 118.2791 57.6557 40.9654 177.8916 105 H 4.0628 8.0722 117.3085 59.2016 30.1421 176.7298 106 L 4.0273 8.0120 120.7830 57.9849 41.4436 179.3706 107 E 3.9952 8.3767 118.6755 59.5648 29.1891 179.4091 108 T 3.9724 7.5030 108.1660 63.9347 68.8037 175.4900 109 L 4.3172 7.4202 120.1136 54.0249 42.1961 176.2655 110 R 4.6174 7.5937 121.4837 55.1402 32.1418 175.7946 *111 H 5.0164 8.3857 118.3082 51.8421 32.1174 168.7076 112 P 4.3826 0.0000 0.0000 65.6473 32.0340 177.5935 *113 D 4.9862 7.7219 116.0954 51.5271 39.7893 177.7077 114 L 4.5191 7.3831 121.7522 53.6548 43.6759 178.4152 115 S 4.3444 9.3882 116.8895 57.8552 64.9848 173.7619 116 P 4.2715 0.0000 0.0000 65.7175 30.9559 179.1329 117 R 3.8755 7.8700 117.0770 59.4417 30.1986 178.1257 118 E 3.9350 8.8584 118.9718 59.4353 29.3985 179.3827 119 R 3.8708 8.3509 119.0408 59.5884 30.1781 178.4275 120 Q 3.9556 8.2120 119.2931 59.0106 28.9882 177.7025 121 N 4.3295 8.4202 117.9590 56.4031 38.5267 177.5088 122 K 4.0230 8.1534 119.7862 59.0557 32.0062 179.5413 123 V 3.6054 8.0139 118.8926 66.1559 31.4438 178.1339 124 L 4.0076 7.9111 118.5797 57.6335 41.3907 179.0102 125 E 4.0413 8.4302 119.4602 59.4493 29.6194 179.2650 126 G 3.6654 8.5085 106.0632 47.5994 0.0000 175.7766 127 V 3.6939 8.1370 120.8446 66.0673 31.6166 178.0125 128 Q 3.9579 8.1600 119.2595 59.0871 28.7230 177.2466 129 Y 4.1629 8.3063 120.8371 60.8305 38.4788 178.4418 130 V 3.3906 7.9498 118.8775 66.0861 31.4743 177.9971 131 L 3.8970 7.7670 117.1585 56.9464 41.5279 178.5396 132 T 4.1713 7.5792 107.8532 61.1496 69.6951 175.2278 133 L 3.9438 6.6647 122.2194 54.8482 42.4190 177.0218 134 E 4.2060 8.4936 121.7717 55.9642 30.5998 177.6971 135 E 4.0825 8.9627 121.5308 59.9395 29.2827 180.0315 136 S 4.2264 8.1114 112.3077 61.3253 63.1100 175.8230 137 A 4.2309 7.8109 123.3892 54.1535 18.5179 179.0844 138 F 4.4582 8.0690 119.3681 60.3507 39.6590 174.3806 139 C 4.9941 7.3969 109.4047 57.5572 32.9541 172.4277 140 H 5.0250 9.2136 119.8136 54.5747 31.9001 172.2294 141 Y 4.9959 8.2861 125.8626 55.7920 41.1299 174.1504 142 D 4.3806 8.4406 126.0006 52.0485 44.5935 174.5849 143 K 4.6726 7.9317 124.8234 54.8135 33.2413 175.3046 144 I 4.6784 8.5338 121.2076 58.0297 41.2749 173.1439 145 P 4.6907 0.0000 0.0000 62.2571 31.6432 176.1458 146 G 4.1361 7.9011 112.8697 46.7364 0.0000 171.6181 147 Q 4.2958 8.2918 117.4707 53.9166 32.8027 174.7252 148 L 4.8381 7.7627 119.5403 53.1075 44.4018 176.1980 149 S 4.7518 8.0818 114.1450 56.1693 66.1047 174.1193 150 K 4.0664 8.6271 123.6637 57.3444 32.5235 177.9531 151 I 4.0123 8.1917 118.5701 60.2061 35.5165 175.6919 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 4 E 8.44 4.37 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 2.13 1.91 0.00 5 K 8.39 4.29 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 6 T 9.76 4.21 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 1.27 0.00 0.00 7 P 0.00 4.33 0.00 2.48 2.29 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 8 W 8.32 4.08 0.00 3.00 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 9 E 8.33 3.84 0.00 2.28 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 0.00 2.36 2.44 0.00 10 L 8.21 3.96 0.00 1.86 1.73 0.94 0.76 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 11 V 7.85 3.58 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 1.10 0.00 0.00 1.14 0.00 0.00 12 I 7.61 3.46 1.44 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.68 0.00 0.00 13 D 8.02 4.31 0.00 2.70 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 14 F 7.98 4.27 0.00 3.01 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 15 H 8.45 4.24 0.00 3.22 3.29 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 10.05 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 17 H 7.08 4.58 0.00 3.17 3.23 0.00 5.50 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.44 4.50 4.29 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 1.42 0.00 0.00 19 C 8.30 5.01 0.00 3.14 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 20 P 0.00 4.40 0.00 2.27 2.26 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 21 D 8.16 4.48 0.00 2.85 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 22 I 7.89 3.73 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.96 0.00 0.00 23 A 8.14 4.37 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.31 0.00 2.10 2.05 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.43 3.63 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 0.00 0.00 0.00 26 Y 8.60 4.18 0.00 3.39 3.37 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 27 R 8.16 3.68 0.00 1.56 1.33 0.00 2.81 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 28 I 8.16 3.48 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.98 0.68 0.00 0.00 29 A 8.17 3.92 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 30 Q 7.74 3.69 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 1.96 1.69 0.00 31 L 7.67 3.78 0.00 1.28 1.50 1.04 0.71 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 32 A 7.07 3.48 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.54 3.88 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 34 R 7.59 3.95 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 35 E 8.02 4.27 0.00 1.78 1.74 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 2.27 1.70 0.00 *37 G 7.82 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 38 I 8.15 3.90 1.85 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 1.30 0.59 0.86 0.00 0.00 39 R 8.44 2.51 0.00 1.45 1.61 0.00 3.46 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.00 40 P 0.00 4.28 0.00 2.14 2.07 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 41 A 7.14 4.54 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 42 P 0.00 4.25 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 43 D 7.90 4.59 0.00 3.04 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 44 S 7.78 4.41 0.00 3.84 3.73 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 45 E 9.13 4.85 0.00 2.10 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 2.25 2.27 0.00 46 C 8.93 4.84 0.00 3.14 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 47 L 9.15 5.00 0.00 1.65 1.56 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.90 4.58 1.88 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 0.38 0.00 0.00 0.61 0.00 0.00 49 K 9.09 4.88 0.00 1.71 1.55 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.46 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.65 1.02 7.81 50 A 8.75 4.88 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 51 Y 8.10 4.93 0.00 2.88 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 52 T 7.28 5.00 4.20 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 0.49 0.00 0.00 53 Q 9.12 4.43 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.38 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 54 S 8.24 4.67 0.00 4.19 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 55 C 9.14 4.03 0.00 3.20 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 56 A 8.84 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.20 4.04 0.00 1.78 1.79 0.94 1.01 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 58 D 8.56 4.56 0.00 2.93 3.11 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 0.00 0.00 0.00 59 A 8.00 4.08 1.47 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 0.00 0.00 60 I 7.57 4.02 2.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.51 0.89 0.00 0.00 61 Q 8.23 4.24 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 62 V 7.28 3.40 1.96 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 0.74 0.00 0.00 0.33 0.00 0.00 63 L 7.95 4.35 0.00 1.69 1.63 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.27 4.66 0.00 2.98 2.94 0.00 0.00 7.02 7.24 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 65 K 8.06 3.80 0.00 1.95 1.96 0.00 1.87 0.00 0.00 2.35 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 66 A 7.38 4.45 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.82 4.70 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 1.17 0.00 0.00 68 I 8.74 3.69 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.14 0.92 0.00 0.00 69 G 8.09 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.78 4.23 0.00 1.94 2.00 0.00 3.50 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 71 H 7.85 4.00 0.00 3.27 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.90 4.47 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 73 L 7.86 4.91 0.00 1.82 1.55 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.76 4.43 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.81 0.00 0.00 75 I 8.31 4.53 1.80 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 1.17 0.49 0.85 0.00 0.00 76 E 8.70 4.30 0.00 1.72 1.27 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 2.18 2.15 0.00 77 E 8.54 4.09 0.00 1.92 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 2.19 2.13 0.00 78 T 8.71 4.52 4.28 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 1.34 0.00 0.00 79 H 8.44 4.29 0.00 3.38 3.45 0.00 5.59 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 80 R 7.24 4.59 0.00 1.82 1.74 0.00 3.09 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 81 Y 8.57 3.98 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 Y 8.28 4.87 0.00 3.38 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 84 Q 9.28 5.36 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 85 F 9.67 5.40 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 86 H 9.17 5.20 0.00 3.27 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.77 5.39 0.00 3.02 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 88 T 8.79 4.10 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 1.35 0.00 0.00 89 G 9.13 3.94 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 0.00 0.00 0.00 90 T 7.33 4.48 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 1.35 0.00 0.00 91 Q 8.49 4.64 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 92 D 7.93 5.47 0.00 2.61 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 93 I 9.00 4.70 1.89 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 1.29 0.91 0.99 0.00 0.00 94 H 9.56 5.02 0.00 3.33 3.57 0.00 5.59 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.95 5.25 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 96 F 9.70 5.45 0.00 3.23 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 97 T 9.00 4.88 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 1.24 0.00 0.00 98 V 8.73 3.82 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 0.48 0.00 0.00 0.98 0.00 0.00 99 S 8.74 4.21 0.00 3.85 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 0.00 100 P 0.00 4.27 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 101 A 7.99 4.02 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 0.00 102 V 7.68 4.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 1.04 0.00 0.00 103 L 7.86 3.94 0.00 1.84 1.63 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.39 4.30 0.00 2.90 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 0.00 105 H 8.07 4.06 0.00 3.08 3.30 0.00 6.02 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 0.00 106 L 8.01 4.03 0.00 1.89 1.73 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.38 4.00 0.00 2.17 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 0.00 2.34 2.40 0.00 108 T 7.50 3.97 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 1.25 0.00 0.00 109 L 7.42 4.32 0.00 1.72 1.69 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.59 4.62 0.00 1.78 1.83 0.00 3.12 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 *111 H 8.39 5.02 0.00 2.86 2.76 0.00 7.20 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.38 0.00 2.17 2.21 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 1.98 1.96 0.00 *113 D 7.72 4.99 0.00 2.68 2.49 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 0.00 114 L 7.38 4.52 0.00 1.62 1.61 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.39 4.34 0.00 4.00 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 0.00 116 P 0.00 4.27 0.00 2.17 2.15 0.00 3.59 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 2.11 2.14 0.00 117 R 7.87 3.88 0.00 1.97 1.91 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 118 E 8.86 3.93 0.00 2.15 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 2.33 2.32 0.00 119 R 8.35 3.87 0.00 1.90 2.06 0.00 3.09 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 1.62 1.64 0.00 120 Q 8.21 3.96 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 121 N 8.42 4.33 0.00 2.95 2.86 0.00 0.00 6.96 8.07 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 0.00 122 K 8.15 4.02 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.57 7.81 123 V 8.01 3.61 2.26 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 1.14 0.00 0.00 0.98 0.00 0.00 124 L 7.91 4.01 0.00 1.93 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.43 4.04 0.00 2.14 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 2.34 2.37 0.00 126 G 8.51 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.69 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 1.11 0.00 0.00 1.09 0.00 0.00 128 Q 8.16 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 129 Y 8.31 4.16 0.00 3.18 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 0.00 130 V 7.95 3.39 2.26 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 0.95 0.00 0.00 1.16 0.00 0.00 131 L 7.77 3.90 0.00 1.65 1.52 0.52 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.58 4.17 4.19 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 1.18 0.00 0.00 133 L 6.66 3.94 0.00 1.61 1.63 0.80 0.52 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 0.00 134 E 8.49 4.21 0.00 2.03 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 2.37 2.31 0.00 135 E 8.96 4.08 0.00 2.04 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 0.00 2.42 2.36 0.00 136 S 8.11 4.23 0.00 4.06 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 0.00 137 A 7.81 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.07 4.46 0.00 3.08 3.25 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 0.00 139 C 7.40 4.99 0.00 3.14 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 0.00 0.00 0.00 0.00 140 H 9.21 5.02 0.00 3.29 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.29 5.00 0.00 2.75 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 0.00 142 D 8.44 4.38 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.93 4.67 0.00 1.49 1.52 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.20 7.81 144 I 8.53 4.68 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.80 0.00 0.00 145 P 0.00 4.69 0.00 1.95 2.04 0.00 3.76 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 2.08 0.00 146 G 7.90 4.14 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 0.00 0.00 0.00 147 Q 8.29 4.30 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 148 L 7.76 4.84 0.00 1.64 1.55 1.02 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 0.00 149 S 8.08 4.75 0.00 3.92 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 0.00 150 K 8.63 4.07 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.46 7.81 151 I 8.19 4.01 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 0.64 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.