NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.0475 8.4449 121.4720 57.2158 31.2071 175.2661 10 Y 3.7681 8.2268 121.0085 57.8647 34.7960 166.9813 11 E 4.7838 7.7821 111.4780 56.1693 31.6972 176.6921 12 D 4.5074 8.3989 118.3693 54.4793 40.2165 176.8372 13 G 3.9082 8.2433 107.6072 46.5040 0.0000 174.2389 14 R 4.4159 8.4633 116.5184 55.2599 31.3578 178.6234 15 G 3.6906 7.8578 105.0944 44.3412 0.0000 175.0054 16 F 3.9625 7.6277 112.8261 57.3611 36.3208 174.5376 17 G 3.9862 8.6382 111.1844 44.5802 0.0000 171.9062 18 I 3.9344 8.2554 120.3023 63.0963 37.3343 177.0481 19 G 4.0391 9.2374 114.0439 45.0497 0.0000 173.5833 20 E 4.2392 7.8200 120.4947 56.2066 30.8769 176.1567 21 L 4.6692 8.5518 124.1826 54.6465 43.1444 176.3414 22 V 5.0798 9.1884 116.2265 59.5434 36.6851 174.2283 23 W 5.4729 9.6355 122.5683 55.4029 31.3925 175.7197 24 G 4.8917 10.2619 111.3498 44.5922 0.0000 171.6713 25 K 4.3771 9.0957 126.7008 54.3528 32.8568 175.1646 26 L 4.4558 8.3145 129.9608 53.8921 42.9132 177.7419 27 R 3.4505 8.1527 128.5344 57.6004 29.4256 178.6908 28 G 3.5736 8.5755 115.5948 47.1289 0.0000 173.2530 29 F 4.4375 7.6973 118.9770 56.6846 39.7064 175.1628 30 S 4.5604 8.4731 118.4639 57.7783 63.9381 174.3004 31 W 4.7435 8.8675 121.3779 57.2717 29.2363 175.8081 32 W 5.3010 9.8717 134.4804 54.9371 33.9683 172.6647 33 P 4.5737 0.0000 0.0000 62.8994 32.4077 175.6034 34 G 4.3833 9.0778 109.9893 45.6979 0.0000 171.6634 35 R 5.2442 8.2529 115.2709 54.0737 33.1819 174.8924 36 I 4.3820 8.6109 123.3154 61.6144 37.9814 175.6528 37 V 4.6954 8.4406 119.9401 59.0764 35.0703 175.6387 38 S 4.2614 7.9229 116.0942 57.2905 63.1852 175.0230 39 W 3.5825 8.6839 122.4301 58.7959 27.9726 178.1071 40 W 3.3879 5.8303 114.0753 57.3422 27.7602 176.4204 41 M 4.1068 6.3367 114.7243 56.1410 31.3272 177.3605 42 T 2.0000 6.5633 109.2672 61.7670 69.0362 176.1036 43 G 3.8594 7.7599 108.9149 45.2080 0.0000 173.8518 44 R 4.6871 7.0388 120.0969 55.4498 31.0598 174.8869 45 S 4.8843 8.5718 116.4090 56.8499 65.7755 173.8962 46 R 3.7708 7.6461 118.9401 56.2617 30.1069 176.6870 47 A 4.0501 8.7230 124.3426 51.5607 19.3672 177.5905 48 A 4.2045 8.2744 125.2434 51.1106 19.3519 176.3063 49 E 3.9614 8.5952 119.8214 58.3630 29.9400 177.3503 50 G 3.9844 9.5412 113.4547 45.8637 0.0000 172.4854 51 T 5.0938 7.6257 107.5759 59.6921 72.1088 173.4529 52 R 4.4455 8.8468 120.8356 54.0007 34.7416 174.6079 53 W 4.9117 9.0888 123.1523 56.3815 30.4670 175.6467 54 V 4.6603 8.7644 124.8934 59.8730 33.9979 174.2553 55 M 4.3828 8.3990 124.5040 53.9283 33.4418 175.1369 56 W 5.0054 8.4880 127.2583 56.5841 30.4978 176.3880 57 F 4.3214 9.0503 122.9797 58.1285 39.0288 174.5704 58 G 4.6446 10.6536 117.1140 44.7579 0.0000 174.0539 59 D 4.7579 7.6690 118.3590 51.2707 40.8390 176.9140 60 G 3.7067 8.1680 107.4722 45.8590 0.0000 174.1504 61 K 4.0991 7.8185 119.1212 56.2844 33.3353 175.8443 62 F 5.4847 8.6127 120.7509 56.3176 41.1692 175.4740 63 S 4.9403 9.0492 117.6549 57.0411 67.8122 173.3409 64 V 3.6223 7.8770 123.5698 62.3363 32.2100 175.3562 65 V 4.4685 8.5358 127.4880 60.9994 34.9568 174.7544 66 C 4.6546 8.6118 124.8770 59.6017 29.0098 175.2881 67 V 3.4311 8.3221 116.4712 64.2725 31.3670 178.7286 68 E 4.1148 8.2618 118.3421 58.7465 29.5571 177.4717 69 K 4.7499 8.2358 117.4917 55.9794 33.3838 175.7310 70 L 5.5335 7.8602 119.5274 53.3296 44.5037 176.0111 71 M 5.3528 9.2383 121.6170 52.6187 36.5417 173.6624 72 P 4.8306 0.0000 0.0000 62.4892 32.1878 176.9826 73 L 4.1414 8.6069 122.0701 58.3450 42.0511 179.5347 74 S 4.3355 8.0816 111.8550 61.1359 62.8814 174.4181 75 S 4.5593 8.1528 117.8442 58.5216 63.0508 176.3454 76 F 4.2240 8.3409 123.1133 61.7911 39.2736 177.1158 77 C 4.3325 8.1818 115.8949 62.6999 28.0621 175.2306 78 S 4.1106 7.5284 114.5915 59.8556 62.7196 174.7199 79 A 3.6494 6.7065 121.2700 52.2996 20.4149 176.8660 80 F 3.7758 7.3327 118.6471 58.2385 39.9064 174.5577 81 H 4.6733 7.6025 124.2045 53.4545 31.3388 174.6059 82 Q 3.8171 8.4987 126.9632 58.8147 28.8633 177.8970 83 A 3.9396 7.7987 121.3935 55.5480 18.5128 179.3611 84 T 3.6145 7.6574 113.5917 66.8275 68.1886 175.7925 85 Y 4.1630 7.3073 120.0059 61.0846 38.9588 178.0155 86 N 4.5613 8.5619 115.8287 55.5442 38.6299 176.7041 87 K 4.4878 7.6267 118.8086 55.9877 33.4086 176.3757 88 Q 4.5980 7.7595 119.1327 53.4745 29.9535 174.6427 89 P 4.2508 0.0000 0.0000 65.6852 31.2955 178.4321 90 M 4.2270 8.1400 116.7753 58.5705 32.2156 177.5638 91 Y 3.3095 8.1396 119.5001 60.4820 38.9994 177.7814 92 R 3.8282 7.8028 118.5687 59.0230 30.0124 178.9458 93 K 3.9067 8.0458 119.0410 59.5222 32.2680 178.6147 94 A 4.0958 8.2221 121.2060 55.2393 18.2105 179.7424 95 I 3.5275 7.6966 118.2136 64.5610 37.1624 177.6319 96 Y 4.0921 8.2161 120.5415 61.0241 38.5385 178.2334 97 E 3.7992 8.4702 119.4029 59.4348 29.6321 179.9364 98 V 2.7408 7.1748 118.9442 64.3391 31.2695 178.2572 99 L 4.2124 7.8193 119.4206 57.0807 41.6477 179.2973 100 Q 3.7775 7.9589 118.5680 58.8923 28.7341 178.9510 101 V 3.5600 7.5833 118.9594 65.8305 31.5493 177.9135 102 A 4.0940 8.1763 120.8193 55.3368 18.2470 179.8549 103 S 3.9278 8.5684 112.9612 61.2489 62.5955 176.6789 104 S 4.0210 7.9638 116.6322 61.3114 61.9231 176.3220 105 R 3.9440 7.7132 119.0292 59.1726 29.9622 178.5131 106 A 4.3592 8.1580 118.5507 52.2687 18.6100 177.5945 107 G 3.6949 7.3600 104.4643 46.1930 0.0000 173.8116 108 K 3.7940 7.9482 122.0408 54.6856 32.0673 175.7877 109 L 4.2718 7.7384 126.6845 53.2251 42.9428 176.0197 110 F 4.7712 8.2342 121.6606 55.0122 41.1275 174.0286 111 P 4.3942 0.0000 0.0000 63.6046 31.0869 176.8409 *122 A 4.3074 7.9954 124.0401 52.7037 20.6243 180.0026 123 K 3.9935 7.9611 114.6971 59.5144 32.1647 179.2805 124 A 3.9965 7.8837 120.6527 54.9358 18.3193 179.6596 125 V 3.1078 7.5193 116.2845 66.1511 31.4229 177.9607 126 E 4.1433 7.8189 116.7872 59.3359 29.7265 179.4052 127 V 3.7586 7.9529 118.1842 66.3297 31.4971 178.3145 128 Q 4.1501 8.2274 117.5489 58.7027 28.3924 178.4558 129 N 4.4689 8.3649 118.0217 56.0175 38.5782 177.1861 130 K 3.9023 7.6374 118.8653 59.3511 32.2418 177.5366 131 P 4.2916 0.0000 0.0000 65.7758 31.2643 178.6810 132 M 3.7132 7.1105 117.6507 58.1030 31.7960 178.8502 133 I 3.3168 8.3931 120.8323 64.3083 37.2499 178.3210 134 E 3.9217 8.1515 119.3932 58.9206 29.1746 179.2542 135 W 4.1261 8.1971 128.1978 60.3015 30.8394 177.8017 136 A 2.0000 7.2850 120.4115 54.3829 17.3417 179.6904 137 L 3.9106 7.3914 116.2588 57.4780 41.7136 179.2363 138 G 3.7830 7.5505 103.0759 44.9447 0.0000 174.0789 139 G 3.7877 7.2954 109.5361 45.2990 0.0000 173.8571 140 F 2.3470 7.1810 115.4330 57.5561 36.9510 175.7844 141 Q 4.5000 8.0234 117.9896 55.5781 29.1958 175.0304 142 P 4.6643 0.0000 0.0000 63.6065 32.6230 177.2509 143 S 4.1231 8.3177 114.6090 59.2660 63.6818 175.5545 144 G 4.0401 8.4738 110.6369 44.1124 0.0000 171.6426 145 P 3.9617 0.0000 0.0000 65.5141 30.6218 178.4259 146 K 4.1506 8.1480 118.0825 59.4208 31.8387 178.4461 147 G 3.8370 7.7243 105.1353 45.8479 0.0000 174.5751 148 L 4.3961 7.4604 119.5433 54.2997 42.3948 176.8335 149 E 4.1641 7.0021 118.1990 55.1835 30.0714 175.0999 150 P 4.3605 0.0000 0.0000 62.1778 32.0354 174.9257 151 P 4.4321 0.0000 0.0000 63.0999 31.4035 176.1019 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 9 E 8.44 4.05 0.00 1.94 1.73 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 1.47 2.03 0.00 10 Y 8.23 3.77 0.00 3.32 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 11 E 7.78 4.78 0.00 2.10 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 2.22 2.30 0.00 12 D 8.40 4.51 0.00 2.86 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 13 G 8.24 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 0.00 0.00 0.00 14 R 8.46 4.42 0.00 1.97 2.09 0.00 3.42 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 15 G 7.86 3.69 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 0.00 0.00 0.00 16 F 7.63 3.96 0.00 3.07 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 17 G 8.64 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 0.00 0.00 0.00 18 I 8.26 3.93 1.96 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 1.53 0.86 0.92 0.00 0.00 19 G 9.24 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.82 4.24 0.00 2.10 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 0.00 2.34 2.32 0.00 21 L 8.55 4.67 0.00 1.60 1.61 0.92 1.08 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 22 V 9.19 5.08 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 0.99 0.00 0.00 0.95 0.00 0.00 23 W 9.64 5.47 0.00 3.29 3.40 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 24 G 10.26 4.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.10 4.38 0.00 0.79 0.93 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.72 0.95 7.81 26 L 8.31 4.46 0.00 1.87 1.50 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.15 3.45 0.00 1.89 0.97 0.00 3.24 0.00 0.00 3.22 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 28 G 8.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.70 4.44 0.00 3.04 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 30 S 8.47 4.56 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 31 W 8.87 4.74 0.00 3.28 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 32 W 9.87 5.30 0.00 3.36 2.59 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 33 P 0.00 4.57 0.00 2.04 1.40 0.00 2.64 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.09 0.00 34 G 9.08 4.38 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 0.00 35 R 8.25 5.24 0.00 1.87 2.08 0.00 2.89 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.45 0.00 36 I 8.61 4.38 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.94 0.00 0.00 37 V 8.44 4.70 1.92 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 0.71 0.00 0.00 1.02 0.00 0.00 38 S 7.92 4.26 0.00 3.21 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 39 W 8.68 3.58 0.00 3.68 3.50 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 40 W 5.83 3.39 0.00 2.81 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 0.00 0.00 0.00 41 M 6.34 4.11 0.00 1.65 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 42 T 6.56 2.00 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 -0.07 0.00 0.00 43 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 44 R 7.04 4.69 0.00 1.75 1.99 0.00 3.37 0.00 0.00 3.33 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 S 8.57 4.88 0.00 3.88 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 46 R 7.65 3.77 0.00 1.24 1.65 0.00 2.84 0.00 0.00 2.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 47 A 8.72 4.05 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 48 A 8.27 4.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.60 3.96 0.00 1.95 1.92 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 2.33 2.31 0.00 50 G 9.54 3.98 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 0.00 0.00 0.00 51 T 7.63 5.09 4.08 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 1.19 0.00 0.00 52 R 8.85 4.45 0.00 1.37 1.42 0.00 2.38 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 0.00 53 W 9.09 4.91 0.00 3.62 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 54 V 8.76 4.66 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 -0.36 0.00 0.00 55 M 8.40 4.38 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 56 W 8.49 5.01 0.00 3.22 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 57 F 9.05 4.32 0.00 3.05 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 58 G 10.65 4.64 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 59 D 7.67 4.76 0.00 2.71 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 60 G 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.82 4.10 0.00 1.77 1.83 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 62 F 8.61 5.48 0.00 3.00 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 63 S 9.05 4.94 0.00 4.16 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 64 V 7.88 3.62 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.68 0.00 0.00 65 V 8.54 4.47 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 0.81 0.00 0.00 1.05 0.00 0.00 66 C 8.61 4.65 0.00 3.00 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 67 V 8.32 3.43 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 0.86 0.00 0.00 1.04 0.00 0.00 68 E 8.26 4.11 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 69 K 8.24 4.75 0.00 1.77 1.84 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.48 7.81 70 L 7.86 5.53 0.00 0.76 0.58 0.42 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.24 5.35 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 72 P 0.00 4.83 0.00 2.26 2.21 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 73 L 8.61 4.14 0.00 1.86 1.65 0.90 0.98 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 74 S 8.08 4.34 0.00 3.99 3.80 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 75 S 8.15 4.56 0.00 4.11 3.75 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 76 F 8.34 4.22 0.00 3.63 3.09 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 77 C 8.18 4.33 0.00 3.00 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 78 S 7.53 4.11 0.00 3.59 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 6.71 3.65 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.33 3.78 0.00 1.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.60 4.67 0.00 2.91 2.95 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.50 3.82 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 83 A 7.80 3.94 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 84 T 7.66 3.61 3.41 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 0.75 0.00 0.00 85 Y 7.31 4.16 0.00 3.05 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 86 N 8.56 4.56 0.00 2.88 2.92 0.00 0.00 7.07 7.31 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 87 K 7.63 4.49 0.00 1.63 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 88 Q 7.76 4.60 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 89 P 0.00 4.25 0.00 2.18 2.09 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 90 M 8.14 4.23 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.01 0.00 91 Y 8.14 3.31 0.00 3.04 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 92 R 7.80 3.83 0.00 1.89 1.73 0.00 2.64 0.00 0.00 2.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 93 K 8.05 3.91 0.00 2.00 2.09 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.49 7.81 94 A 8.22 4.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.70 3.53 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 1.16 0.00 0.00 96 Y 8.22 4.09 0.00 3.14 3.20 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 97 E 8.47 3.80 0.00 2.04 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 2.48 2.66 0.00 98 V 7.17 2.74 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 0.69 0.00 0.00 0.75 0.00 0.00 99 L 7.82 4.21 0.00 1.73 1.80 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.96 3.78 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 101 V 7.58 3.56 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 1.06 0.00 0.00 0.98 0.00 0.00 102 A 8.18 4.09 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 0.00 103 S 8.57 3.93 0.00 3.98 3.88 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 0.00 104 S 7.96 4.02 0.00 3.97 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 0.00 105 R 7.71 3.94 0.00 2.06 2.08 0.00 3.24 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 106 A 8.16 4.36 1.63 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 0.00 107 G 7.36 3.69 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 0.00 0.00 0.00 108 K 7.95 3.79 0.00 1.15 0.76 0.00 1.07 0.00 0.00 1.25 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 109 L 7.74 4.27 0.00 1.44 1.41 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.23 4.77 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.39 0.00 2.19 2.13 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 *122 A 8.00 4.31 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 0.00 123 K 7.96 3.99 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 124 A 7.88 4.00 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 0.00 0.00 0.00 0.00 0.00 125 V 7.52 3.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.38 0.00 0.00 126 E 7.82 4.14 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 127 V 7.95 3.76 2.10 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 1.05 0.00 0.00 1.00 0.00 0.00 128 Q 8.23 4.15 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 129 N 8.36 4.47 0.00 3.22 3.02 0.00 0.00 6.85 7.61 0.00 0.00 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 K 7.64 3.90 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.77 7.81 131 P 0.00 4.29 0.00 1.89 2.19 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 132 M 7.11 3.71 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.82 0.00 133 I 8.39 3.32 1.80 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 1.33 0.52 0.49 0.00 0.00 134 E 8.15 3.92 0.00 2.18 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 2.28 2.41 0.00 135 W 8.20 4.13 0.00 3.63 3.51 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 0.00 136 A 7.28 2.00 -0.40 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 0.00 137 L 7.39 3.91 0.00 1.38 1.63 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.55 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.30 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 0.00 0.00 0.00 140 F 7.18 2.35 0.00 2.99 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 0.00 141 Q 8.02 4.50 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 142 P 0.00 4.66 0.00 2.20 2.19 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 143 S 8.32 4.12 0.00 4.10 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 0.00 144 G 8.47 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 3.96 0.00 2.10 2.02 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 146 K 8.15 4.15 0.00 1.84 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 147 G 7.72 3.84 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 0.00 0.00 0.00 148 L 7.46 4.40 0.00 1.51 1.56 -0.41 0.40 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 0.00 149 E 7.00 4.16 0.00 1.96 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 0.00 2.31 2.34 0.00 150 P 0.00 4.36 0.00 2.06 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 151 P 0.00 4.43 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.