NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 S 4.4465 8.4345 117.0993 58.2599 62.4659 174.1046 -8 S 4.6199 7.3952 120.9505 57.4170 63.2929 176.8803 -7 G 3.7103 8.9767 114.4430 49.3158 0.0000 175.3624 -6 L 4.1491 7.7674 118.6736 56.4844 42.0907 177.9210 -5 V 3.8481 7.0208 110.5196 60.0241 31.9615 174.5012 -4 P 4.3665 0.0000 0.0000 63.0058 32.0049 177.0604 -3 R 4.0908 8.8199 121.1077 59.0613 29.2573 175.8810 -2 G 4.1376 7.5234 103.4620 44.8265 0.0000 171.8831 -1 S 4.5177 8.5405 112.0639 57.6553 62.6775 173.5193 0 H 4.0429 8.1081 114.2289 58.4377 25.6525 175.4912 1 M 4.5083 7.8185 118.6265 53.8024 31.4607 175.5265 2 N 4.6132 7.8655 118.7893 52.2508 38.3903 174.1301 3 L 3.9909 8.1126 126.6839 57.3503 42.0919 178.7834 4 K 3.9423 8.0415 117.9348 59.5639 31.9280 179.0364 5 Q 3.9468 8.0903 119.8435 59.1273 28.9624 178.1492 6 I 3.6654 8.2369 121.0771 64.2415 37.1373 178.2313 7 A 3.9444 8.3535 121.9222 55.0179 18.2714 179.1503 8 K 3.7416 7.9042 118.1620 60.2691 32.2500 178.5748 9 D 4.4086 8.3391 118.8037 57.6322 40.6983 179.0020 10 T 3.9093 8.4344 116.6323 66.3069 68.3713 176.7477 11 A 4.0590 8.6351 125.7115 55.7346 18.4960 180.3934 12 K 3.9820 8.0823 122.2481 60.3938 31.7828 181.1730 13 T 4.1216 7.9083 116.9538 66.2277 68.2267 176.5868 14 L 3.9468 8.1014 122.2828 58.1773 42.3823 178.4020 15 Q 3.9751 8.4262 120.0729 59.6580 29.0973 178.8969 16 S 4.3977 8.1652 112.4180 60.2261 62.5293 175.1457 17 Y 4.3448 7.9934 122.4105 60.7774 38.5896 177.1985 18 L 4.0646 8.5324 120.3597 57.8171 41.6181 179.7009 19 T 3.8853 7.8856 115.6546 66.8245 68.5582 176.1463 20 Y 3.9288 7.5550 120.0936 60.6118 38.8086 177.8016 21 Q 3.4985 7.8749 120.2650 58.4582 29.0932 177.7585 22 A 3.9260 8.1013 122.3006 54.8064 18.3044 179.0761 23 L 3.8800 7.9106 118.9041 58.6141 42.1160 179.5626 24 R 3.7470 7.3559 117.1895 59.3288 29.8156 179.1168 25 T 3.8035 7.6443 115.2786 66.9626 68.5461 177.1765 26 V 3.9321 7.7475 115.4685 63.4143 31.4401 178.2444 27 L 3.9283 8.1989 120.3822 58.3892 41.3796 179.0957 28 A 3.9722 8.0747 120.3952 55.0241 18.1047 179.5247 29 Q 3.9549 8.3515 116.8805 59.3460 28.8894 179.1968 30 L 4.0962 8.5952 120.2533 57.7129 41.3845 179.6403 31 G 3.8236 8.1707 105.1994 47.9377 0.0000 175.2566 32 E 4.1654 7.7468 119.1524 59.1728 29.8015 178.6470 33 T 4.3814 7.7843 107.7049 62.6933 71.0484 175.0394 34 N 4.9959 8.5993 119.8141 49.9327 40.1861 172.1064 35 P 4.2596 0.0000 0.0000 65.2351 31.9137 176.0923 36 P 4.3244 0.0000 0.0000 65.4520 31.2108 178.4615 37 L 4.1005 7.9935 118.1396 57.7301 41.9323 178.6508 38 A 4.0570 8.2698 121.1407 55.1848 18.2496 179.3685 39 L 3.9256 7.9745 118.6426 57.9366 42.1026 178.7638 40 W 4.0568 8.3411 128.3501 60.6010 30.6907 177.6634 41 L 4.2037 8.5829 120.2827 58.3733 41.0286 178.4065 42 H 4.1466 8.5426 118.2171 59.5068 29.6919 177.0368 43 N 4.2903 8.1487 116.9892 56.2072 38.3921 176.9121 44 F 3.8922 7.8468 121.4585 61.2484 39.7013 177.1288 45 S 4.5409 8.3358 113.9525 59.4263 62.4773 173.4042 46 A 3.7712 6.9797 123.7423 53.5203 17.8249 177.0717 47 G 3.7982 8.7178 111.9491 47.6506 0.0000 173.3897 48 K 4.5022 7.8944 116.8037 55.7354 33.8795 177.4582 49 V 3.9410 7.7370 113.8501 61.9282 31.7515 177.6222 50 Q 4.0041 8.1391 120.2521 57.2265 28.3092 180.7088 51 D 5.0535 7.9140 119.5208 51.9011 43.4121 176.6686 52 G 3.7508 8.4906 114.6408 47.7899 0.0000 174.8998 53 E 4.2124 8.6040 122.9401 59.6809 29.6490 179.8467 54 K 4.0553 8.2659 123.3264 59.9492 31.8108 180.0835 55 Y 4.3297 8.3047 120.8712 60.7577 38.7082 178.0786 56 I 3.6212 7.9837 120.5077 64.6147 36.9265 178.0467 57 E 4.1034 8.3953 119.8628 59.4068 27.9266 178.6978 58 E 3.9357 8.4156 118.7079 59.3770 29.4955 179.1235 59 L 3.9405 7.9694 120.4416 57.8207 41.8540 178.6953 60 F 3.9455 8.2741 117.4936 60.7639 38.9326 177.3599 61 L 4.2065 7.5392 117.1942 57.3372 41.4487 178.8969 62 E 4.3986 7.4341 115.6740 57.4005 31.5606 177.5498 63 K 4.3675 8.0196 119.0849 52.5119 32.9654 175.0117 64 P 3.7873 0.0000 0.0000 65.2789 31.4246 178.2687 65 D 4.2063 7.8532 118.6129 56.5285 39.1441 178.6016 66 L 3.8674 7.6146 120.2498 56.9160 41.6877 178.8428 67 A 3.7791 7.4954 120.7499 55.4080 18.2279 179.7855 68 L 3.8871 7.4752 117.0947 57.7034 41.6105 179.9476 69 R 3.8847 7.6531 117.5724 59.4318 29.9965 179.0821 70 I 3.7403 7.9713 119.6852 64.7172 36.9791 178.2765 71 M 4.0835 8.2306 119.5131 58.9286 31.8097 179.0636 72 T 3.9318 7.8975 115.5257 66.4449 68.6108 177.1873 73 V 3.6391 7.9104 120.5063 65.9323 31.6214 178.1960 74 R 3.9605 8.2486 116.2086 59.3350 29.1077 178.4494 75 E 3.9122 8.0003 120.0826 59.2289 29.7843 178.3156 76 H 4.3681 8.3664 118.2339 59.3284 29.9293 177.0534 77 I 3.6628 8.3985 121.7371 64.4987 36.9285 178.1821 78 A 4.0329 7.9918 121.2771 55.4154 18.0351 179.6037 79 E 3.9377 8.0438 115.7083 59.2901 29.5075 179.0748 80 E 4.3093 7.9999 118.0851 58.3603 30.1789 178.0356 81 I 4.6333 8.0220 111.3139 61.4926 39.0003 177.5844 82 A 4.0530 8.2217 123.7257 55.2091 18.0093 179.2632 83 E 3.8762 7.9943 113.9571 58.6125 29.7564 178.1266 84 F 4.7277 7.9925 117.6388 58.0450 39.5559 177.7763 85 L 4.0738 7.8845 119.3561 57.1369 41.3214 177.1412 86 P 4.2385 0.0000 0.0000 65.8100 31.2767 178.0602 87 E 3.9776 8.2812 116.4532 60.1288 29.5577 179.4814 88 M 4.1389 7.9084 118.3293 58.2176 31.9682 179.0264 89 V 3.6725 8.0698 118.5987 65.6021 31.8078 178.3294 90 V 3.5715 8.0283 118.4237 66.3770 31.5101 178.2816 91 T 4.0689 8.4725 109.9926 64.3380 68.5180 176.8135 92 G 3.5675 7.9686 108.4755 47.7744 0.0000 175.7711 93 I 3.7150 7.8066 122.5843 64.2136 37.2618 178.6264 94 Q 4.1306 8.3419 121.3184 59.6790 28.5329 179.5578 95 Q 4.0553 8.3704 121.6204 59.8240 27.9513 180.4567 96 A 4.1511 8.1278 121.9506 55.1914 18.9236 178.8548 97 N 4.3599 8.5794 115.7146 57.1328 38.5315 177.5045 98 M 4.2525 8.1656 119.6094 58.5819 31.5064 178.8501 99 E 4.0434 8.3134 119.8050 60.7013 29.7610 183.9405 100 K 4.2866 7.8978 117.7124 59.4602 32.0622 179.6477 101 R 4.0560 8.0510 120.5353 59.6187 29.8621 179.6451 102 R 4.1727 7.7188 122.3611 61.8743 29.4971 182.3422 103 Q 4.4289 8.0680 122.5047 61.1455 28.2237 179.7020 *104 H 4.9081 7.8969 121.0183 58.4984 29.3744 177.3675 105 L 4.3924 7.7999 124.8911 54.4650 40.7015 179.2492 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 S 8.43 4.45 0.00 3.65 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 -8 S 7.40 4.62 0.00 3.72 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 -7 G 8.98 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 -6 L 7.77 4.15 0.00 1.63 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 -5 V 7.02 3.85 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 0.66 0.00 0.00 0.96 0.00 0.00 -4 P 0.00 4.37 0.00 2.16 2.01 0.00 3.71 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 2.04 2.09 0.00 -3 R 8.82 4.09 0.00 1.82 1.87 0.00 3.26 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 -2 G 7.52 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 -1 S 8.54 4.52 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.11 4.04 0.00 3.33 3.41 0.00 5.90 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.82 4.51 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 N 7.87 4.61 0.00 2.75 2.72 0.00 0.00 7.07 6.66 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 3 L 8.11 3.99 0.00 1.73 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.04 3.94 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 Q 8.09 3.95 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 6 I 8.24 3.67 1.87 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 1.46 0.62 0.91 0.00 0.00 7 A 8.35 3.94 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 8 K 7.90 3.74 0.00 2.00 2.06 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 D 8.34 4.41 0.00 2.91 2.70 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 10 T 8.43 3.91 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 1.21 0.00 0.00 11 A 8.64 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.08 3.98 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 13 T 7.91 4.12 4.41 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 1.20 0.00 0.00 14 L 8.10 3.95 0.00 1.95 1.90 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.43 3.98 0.00 2.16 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 S 8.17 4.40 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.99 4.34 0.00 3.26 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 18 L 8.53 4.06 0.00 1.93 1.75 0.99 0.71 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 19 T 7.89 3.89 4.30 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 1.34 0.00 0.00 20 Y 7.56 3.93 0.00 2.92 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 21 Q 7.87 3.50 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 22 A 8.10 3.93 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 23 L 7.91 3.88 0.00 1.68 1.61 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.36 3.75 0.00 1.80 1.76 0.00 2.29 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.00 25 T 7.64 3.80 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 1.19 0.00 0.00 26 V 7.75 3.93 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 1.06 0.00 0.00 0.96 0.00 0.00 27 L 8.20 3.93 0.00 2.07 1.78 1.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.07 3.97 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 29 Q 8.35 3.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 30 L 8.60 4.10 0.00 1.86 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.17 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.75 4.17 0.00 2.17 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 2.34 2.45 0.00 33 T 7.78 4.38 4.23 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 1.27 0.00 0.00 34 N 8.60 5.00 0.00 2.62 2.67 0.00 0.00 7.07 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 35 P 0.00 4.26 0.00 2.20 2.13 0.00 3.66 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 2.13 2.38 0.00 36 P 0.00 4.32 0.00 2.18 2.13 0.00 3.79 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 2.12 2.16 0.00 37 L 7.99 4.10 0.00 1.77 1.80 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.27 4.06 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 39 L 7.97 3.93 0.00 1.84 1.95 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.34 4.06 0.00 3.54 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.58 4.20 0.00 2.18 1.97 1.22 1.01 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 42 H 8.54 4.15 0.00 3.27 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.15 4.29 0.00 2.63 2.76 0.00 0.00 7.08 7.75 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 44 F 7.85 3.89 0.00 1.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.34 4.54 0.00 4.03 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 46 A 6.98 3.77 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 47 G 8.72 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 0.00 0.00 0.00 48 K 7.89 4.50 0.00 1.94 2.01 0.00 0.93 0.00 0.00 1.38 0.00 0.00 2.32 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.14 7.81 49 V 7.74 3.94 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 0.35 0.00 0.00 0.82 0.00 0.00 50 Q 8.14 4.00 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 51 D 7.91 5.05 0.00 2.77 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 52 G 8.49 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 0.00 0.00 0.00 53 E 8.60 4.21 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 2.39 2.51 0.00 54 K 8.27 4.06 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.07 7.81 55 Y 8.30 4.33 0.00 3.37 3.27 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 56 I 7.98 3.62 2.01 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 1.51 0.81 1.08 0.00 0.00 57 E 8.40 4.10 0.00 2.29 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 2.34 2.45 0.00 58 E 8.42 3.94 0.00 2.35 2.23 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 2.40 2.57 0.00 59 L 7.97 3.94 0.00 1.50 1.58 0.58 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.27 3.95 0.00 3.31 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 61 L 7.54 4.21 0.00 1.69 1.79 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.43 4.40 0.00 1.88 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 2.53 2.57 0.00 63 K 8.02 4.37 0.00 1.33 1.38 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.89 1.14 7.81 64 P 0.00 3.79 0.00 2.31 2.54 0.00 3.59 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 2.03 2.06 0.00 65 D 7.85 4.21 0.00 2.82 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 66 L 7.61 3.87 0.00 1.78 1.68 0.86 0.80 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 67 A 7.50 3.78 0.53 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 0.00 0.00 68 L 7.48 3.89 0.00 1.78 1.70 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.65 3.88 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 70 I 7.97 3.74 2.04 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 1.04 0.00 0.00 71 M 8.23 4.08 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 72 T 7.90 3.93 4.41 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 1.22 0.00 0.00 73 V 7.91 3.64 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 1.09 0.00 0.00 0.97 0.00 0.00 74 R 8.25 3.96 0.00 2.10 2.34 0.00 3.05 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 75 E 8.00 3.91 0.00 2.26 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 0.00 2.48 2.34 0.00 76 H 8.37 4.37 0.00 3.42 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.40 3.66 1.94 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 1.43 0.53 0.94 0.00 0.00 78 A 7.99 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.04 3.94 0.00 2.20 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 2.37 2.52 0.00 80 E 8.00 4.31 0.00 2.15 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 2.62 2.40 0.00 81 I 8.02 4.63 2.01 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 1.76 0.98 0.99 0.00 0.00 82 A 8.22 4.05 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 83 E 7.99 3.88 0.00 1.81 1.85 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 1.48 1.47 0.00 84 F 7.99 4.73 0.00 3.14 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 85 L 7.88 4.07 0.00 1.85 1.75 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 87 E 8.28 3.98 0.00 2.08 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 2.44 2.46 0.00 88 M 7.91 4.14 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 89 V 8.07 3.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 90 V 8.03 3.57 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 1.00 0.00 0.00 0.98 0.00 0.00 91 T 8.47 4.07 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 1.24 0.00 0.00 92 G 7.97 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 93 I 7.81 3.72 2.09 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 1.51 0.62 0.91 0.00 0.00 94 Q 8.34 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 95 Q 8.37 4.06 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 96 A 8.13 4.15 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 97 N 8.58 4.36 0.00 2.93 2.90 0.00 0.00 6.86 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 98 M 8.17 4.25 0.00 2.44 2.32 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 99 E 8.31 4.04 0.00 2.02 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 2.24 2.22 0.00 100 K 7.90 4.29 0.00 2.14 1.87 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 101 R 8.05 4.06 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 102 R 7.72 4.17 0.00 1.90 1.84 0.00 3.27 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 103 Q 8.07 4.43 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *104 H 7.90 4.91 0.00 2.93 2.88 0.00 7.18 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 0.00 105 L 7.80 4.39 0.00 1.71 1.47 0.92 0.87 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 * Residues marked with a * may have inaccurate shift predictions.