NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3621 8.3349 115.2900 58.1020 64.6621 173.8508 7 H 4.7192 8.8402 114.8612 53.8192 28.7072 176.2006 8 K 4.1302 8.9397 121.9513 59.0393 33.5679 177.1895 9 Q 4.5940 7.8449 117.3978 55.3270 29.6173 175.2515 10 A 4.2456 7.8884 121.2932 51.9798 18.8418 179.2070 11 S 4.2622 8.4826 115.0443 59.8625 64.0581 174.4492 12 C 4.3359 7.8120 122.7316 58.2906 32.3975 172.0684 13 P 4.3710 0.0000 0.0000 64.9126 31.0815 178.5184 14 V 3.7223 7.6272 116.4603 65.6511 31.9320 177.3796 15 A 3.9851 7.7897 120.0853 54.9834 18.4321 179.4336 16 R 4.0140 7.8021 116.2679 59.2900 30.2833 177.6539 17 P 4.3461 0.0000 0.0000 65.1456 31.2123 178.5476 18 L 4.0814 7.8224 117.9308 57.5841 41.1937 179.0340 19 D 4.3445 7.9251 118.1584 56.4756 40.6976 178.1917 20 V 4.1145 7.4692 118.2612 62.6406 32.6047 176.6316 21 I 4.3304 7.6163 109.3018 60.1452 38.7327 176.5126 22 G 3.8805 8.0216 113.2275 43.5071 0.0000 171.5001 23 D 4.5566 7.3112 119.5767 52.9428 42.4296 176.2933 24 G 3.5519 8.5142 106.3947 46.0056 0.0000 174.4009 25 W 4.8795 8.0832 117.5508 57.6986 32.1922 177.7273 26 S 3.9356 9.3172 115.1301 58.8559 62.3441 176.3667 *28 L 4.3631 8.0441 122.3051 55.0153 43.6624 179.4886 29 I 3.5892 7.8947 119.4364 64.2416 36.8398 178.5693 30 V 3.5041 7.8788 118.9614 65.9480 31.4208 177.5659 31 R 4.1657 8.2863 118.0237 60.0669 29.7643 177.7945 32 D 4.4610 8.7027 118.3379 57.4324 40.9790 178.5937 33 A 4.5164 8.4779 122.8410 54.8599 18.1373 179.7613 34 F 4.3435 8.3080 115.2750 60.3042 39.0753 176.8773 35 E 4.4029 8.0238 116.0526 56.4553 29.6475 177.2631 36 G 4.0951 7.7984 106.9697 44.9552 0.0000 174.2828 37 L 4.0472 7.9831 121.1996 54.7918 42.1810 177.7139 38 T 4.8468 9.0434 109.4270 58.9022 70.7620 173.6781 39 R 5.0518 7.5290 121.3737 54.0583 33.5822 176.2144 40 F 4.1901 9.2414 124.3706 61.8797 39.4440 178.0393 41 G 3.6859 8.3759 104.4809 47.6730 0.0000 175.3655 42 E 3.8797 7.9258 120.3529 59.2220 29.4620 179.2195 43 F 4.1973 7.5721 117.6350 60.5601 38.9390 177.1948 44 Q 3.7638 7.9116 119.2360 59.4923 28.5368 179.0137 45 K 4.1341 7.6500 117.0806 58.9741 32.1503 179.1756 46 S 4.2473 7.8271 112.9874 61.2293 62.1941 175.5923 47 L 4.5149 8.3622 121.3968 54.7396 41.4193 178.4084 48 G 3.8227 8.1970 105.8100 45.9308 0.0000 172.8481 49 L 3.8221 6.8687 117.6472 53.0103 42.9429 177.0476 50 A 3.9691 8.2140 126.9900 52.3910 19.6104 178.4108 51 K 3.9832 8.9114 124.1912 60.0071 32.2265 179.1929 52 N 4.4087 8.0935 116.4271 55.8691 37.4647 177.3804 53 I 3.6846 7.5735 121.6906 63.9587 37.2666 177.7665 54 L 3.7105 8.1193 121.3950 57.9030 41.7323 178.7491 55 A 4.2326 8.5006 120.7653 55.4151 18.3819 179.4824 56 A 3.9846 8.1285 119.0969 55.3612 18.4498 180.1409 57 R 3.8782 8.0528 116.5298 59.3427 30.1666 179.2977 58 L 3.8513 8.1109 119.0966 57.5902 41.5421 179.2251 59 R 3.9694 8.3838 119.1662 59.7739 29.9638 177.9749 60 N 4.3758 8.2214 116.4589 56.7667 38.9145 176.7886 61 L 4.0412 8.0495 120.4214 57.7046 41.6695 179.7680 62 V 3.6480 8.0537 118.3056 66.0693 31.3157 178.0187 63 E 4.0433 8.4622 117.6741 59.3346 29.3363 178.0748 64 H 4.6744 8.2386 113.6830 54.9848 28.9068 175.6871 65 G 3.9078 7.7967 108.4455 46.6435 0.0000 174.7976 66 V 3.8039 7.8986 117.7058 63.2041 31.7188 175.2598 *68 V 4.2364 7.5238 118.3320 63.2539 32.8045 173.4944 69 A 4.8794 8.4877 129.1420 50.4542 20.7931 176.0084 70 V 4.5466 8.5897 115.3379 59.1830 37.0708 172.2887 71 P 5.0239 0.0000 0.0000 61.8565 32.4058 176.2679 72 A 4.1075 8.8637 125.3936 51.9608 19.0591 178.1853 73 E 3.8870 8.8288 120.7523 59.4216 29.5443 178.5360 74 S 4.2180 7.9981 110.3728 58.5594 63.6425 174.6801 75 G 3.8910 8.1906 109.6471 46.3733 0.0000 174.9487 76 S 4.2832 7.7769 115.6418 60.3829 63.6837 172.9569 77 H 4.6578 7.3448 115.0279 55.4205 31.4162 172.0491 78 Q 5.0766 8.8125 117.0356 54.3439 30.5709 175.4010 79 E 5.2008 9.3950 122.4204 54.8236 33.8425 174.2915 80 Y 5.2857 9.6809 119.6294 56.5205 40.9142 175.2447 81 R 4.9297 8.9523 121.9533 53.9567 34.2852 175.2898 82 L 4.3567 8.4831 122.3257 55.0597 42.4525 177.5801 83 T 4.2723 8.6103 114.3100 60.7622 70.4463 175.0870 84 D 4.3936 8.7699 120.4596 57.4980 40.3767 178.8831 85 K 4.0120 8.1306 118.4877 59.6185 32.5136 178.5228 86 G 3.7453 8.2270 105.8193 47.9735 0.0000 175.9590 87 R 4.1934 8.6072 120.6591 58.6732 29.8531 178.5441 88 A 4.3475 7.8797 118.9858 53.8726 18.5985 178.6234 89 L 4.2857 8.1552 117.1641 55.4845 41.7148 178.4559 90 F 4.0272 8.3819 122.3019 61.0954 39.1781 175.1172 91 P 3.9931 0.0000 0.0000 65.3585 31.0421 178.2966 92 L 3.8653 7.8227 118.6103 57.9778 42.0009 178.5496 93 L 3.8897 8.0890 120.5065 58.1959 41.9504 179.0427 94 V 3.3103 7.4457 117.9477 65.8634 31.3510 177.8563 95 A 3.9618 8.1303 120.6697 55.1017 18.1355 179.6799 96 I 3.7139 8.0181 118.6280 64.5259 37.2135 178.3149 97 R 3.8934 8.1014 119.6883 59.9960 29.8330 178.5479 98 Q 4.1472 8.4232 117.6684 58.4946 28.6589 178.4774 99 W 4.5518 8.5494 129.9178 60.2995 30.7736 178.3194 100 G 3.6625 8.5926 106.0348 47.9714 0.0000 175.4296 101 E 3.8950 8.4506 120.4655 59.2879 29.5324 178.9669 102 D 4.3109 8.0194 117.8171 56.3130 41.0124 176.7694 103 Y 4.4911 7.8458 113.3171 57.2822 39.7324 175.9794 104 F 4.3913 8.4585 116.7675 56.7210 39.9862 175.0845 105 F 4.8379 7.9091 119.1255 55.1451 41.7448 175.1365 106 A 4.2794 9.4405 127.9669 51.1821 18.9681 176.6510 107 P 4.2533 0.0000 0.0000 65.7494 31.3863 177.5724 108 D 4.5921 7.9912 114.2271 53.9387 39.9711 175.9789 109 E 4.5237 7.9682 120.2933 55.5068 30.7313 175.4039 110 S 4.7012 8.2534 115.1677 56.9193 66.0994 172.3106 111 H 4.7371 7.6376 114.7989 54.0056 30.9331 173.3645 112 V 3.8654 8.1048 113.4191 61.5419 31.9871 175.8927 113 R 4.6494 8.0711 119.1370 54.2729 33.4785 174.8573 114 L 4.5597 8.2811 122.7370 54.2187 43.3721 175.6994 115 V 4.9966 8.2096 118.4395 59.0808 35.8158 175.2409 116 E 4.0440 9.0740 123.1094 56.7177 29.8067 178.1291 117 R 3.7909 9.0293 124.3590 59.3080 30.2059 177.3121 118 D 4.7135 8.3425 120.9048 53.7466 39.9780 177.1016 119 S 5.7123 9.2760 128.7808 60.0646 61.5226 179.0393 120 G 3.9476 8.0605 106.2123 45.5034 0.0000 173.4985 121 Q 4.2439 7.5944 119.4157 54.7716 29.9942 173.9102 122 P 4.7509 0.0000 0.0000 62.5632 32.1665 176.4302 123 V 3.7446 8.5110 124.7187 62.3655 31.8631 174.4099 124 P 4.4272 0.0000 0.0000 61.8526 31.9772 176.0823 125 R 3.9283 8.3872 120.3144 56.7057 30.1820 175.9690 126 L 4.1448 9.2462 128.1446 54.9997 41.5595 175.6633 127 Q 4.7384 8.2355 124.9563 54.0225 31.4485 175.6904 128 V 3.9468 8.1937 121.8624 62.8458 32.7822 175.0272 129 R 5.2048 8.4723 125.2847 54.2710 33.8777 175.2178 130 A 4.3739 9.1562 125.3924 50.8839 19.7406 178.8677 131 G 3.8082 8.7083 108.3820 48.9785 0.0000 174.5529 132 D 4.4241 7.9836 116.5154 53.9202 39.7756 177.1119 133 G 3.9685 8.4338 109.8187 45.1914 0.0000 174.1598 134 S 4.3922 8.3056 114.8540 56.9038 63.9562 171.8123 135 P 4.6615 0.0000 0.0000 63.2015 31.7130 175.3315 136 L 4.7407 8.8721 126.3124 53.1869 44.0976 175.8991 137 A 4.4506 8.5810 127.5199 50.9600 20.2972 177.8329 138 A 3.9488 8.7491 122.6690 55.2779 18.5943 180.2056 139 E 4.0686 8.0886 111.9565 58.8942 29.8291 177.1499 140 D 4.7331 7.9207 118.8532 54.1936 40.7932 175.5803 141 T 4.7491 7.6455 109.4591 59.8696 71.6082 172.9407 142 R 4.5876 8.0031 116.5593 54.9068 32.2404 174.2328 143 V 4.1374 8.1622 118.7279 61.3810 32.5783 174.9352 144 S 4.7737 8.3065 121.3766 56.1577 64.5478 173.7342 145 R 4.1113 8.5166 124.5544 56.6264 29.8037 176.4696 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 6 S 8.33 4.36 0.00 3.82 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 0.00 7 H 8.84 4.72 0.00 3.28 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.94 4.13 0.00 1.89 1.98 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 9 Q 7.84 4.59 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 10 A 7.89 4.25 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 11 S 8.48 4.26 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.81 4.34 0.00 2.98 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 13 P 0.00 4.37 0.00 2.05 2.09 0.00 3.71 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 2.01 2.13 0.00 14 V 7.63 3.72 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 0.79 0.00 0.00 0.89 0.00 0.00 15 A 7.79 3.99 1.11 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 0.00 0.00 16 R 7.80 4.01 0.00 1.91 2.02 0.00 3.14 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 1.88 1.89 0.00 17 P 0.00 4.35 0.00 2.14 2.10 0.00 3.61 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 2.15 2.17 0.00 18 L 7.82 4.08 0.00 1.94 1.76 0.89 0.98 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 19 D 7.93 4.34 0.00 2.87 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 20 V 7.47 4.11 1.79 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 0.84 0.00 0.00 0.89 0.00 0.00 21 I 7.62 4.33 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 1.48 0.71 0.91 0.00 0.00 22 G 8.02 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 0.00 0.00 0.00 23 D 7.31 4.56 0.00 2.80 2.67 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 24 G 8.51 3.55 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 0.00 25 W 8.08 4.88 0.00 3.36 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 26 S 9.32 3.94 0.00 3.88 3.89 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 *28 L 8.04 4.36 0.00 2.01 1.87 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.89 3.59 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.13 0.00 0.00 30 V 7.88 3.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.94 0.00 0.00 31 R 8.29 4.17 0.00 2.03 2.18 0.00 3.30 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 32 D 8.70 4.46 0.00 3.25 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 33 A 8.48 4.52 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 34 F 8.31 4.34 0.00 3.36 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 35 E 8.02 4.40 0.00 2.15 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 2.42 2.59 0.00 36 G 7.80 4.10 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 0.00 0.00 0.00 37 L 7.98 4.05 0.00 1.62 0.72 0.95 0.45 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 38 T 9.04 4.85 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 1.28 0.00 0.00 39 R 7.53 5.05 0.00 1.80 1.91 0.00 2.77 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 40 F 9.24 4.19 0.00 3.44 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 41 G 8.38 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 42 E 7.93 3.88 0.00 1.77 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 0.00 2.28 2.28 0.00 43 F 7.57 4.20 0.00 2.92 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 44 Q 7.91 3.76 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 45 K 7.65 4.13 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.58 7.81 46 S 7.83 4.25 0.00 3.91 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 0.00 47 L 8.36 4.51 0.00 1.67 1.74 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.20 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 49 L 6.87 3.82 0.00 0.81 1.11 -0.65 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.21 3.97 1.21 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 0.00 0.00 51 K 8.91 3.98 0.00 1.88 2.08 0.00 1.73 0.00 0.00 2.00 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.61 7.81 52 N 8.09 4.41 0.00 2.95 3.08 0.00 0.00 6.26 7.80 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 53 I 7.57 3.68 1.80 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 1.46 1.08 0.69 0.00 0.00 54 L 8.12 3.71 0.00 1.41 1.63 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.50 4.23 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 56 A 8.13 3.98 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 57 R 8.05 3.88 0.00 1.76 1.96 0.00 3.49 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 58 L 8.11 3.85 0.00 1.87 1.66 0.45 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.38 3.97 0.00 2.06 2.14 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 60 N 8.22 4.38 0.00 2.93 3.00 0.00 0.00 7.30 6.52 0.00 0.00 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 8.05 4.04 0.00 1.89 1.70 0.80 0.63 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 62 V 8.05 3.65 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 1.06 0.00 0.00 1.12 0.00 0.00 63 E 8.46 4.04 0.00 1.94 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 2.35 2.64 0.00 64 H 8.24 4.67 0.00 3.27 3.34 0.00 5.77 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 65 G 7.80 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 66 V 7.90 3.80 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 0.92 0.00 0.00 0.96 0.00 0.00 *68 V 7.52 4.24 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 0.97 0.00 0.00 0.94 0.00 0.00 69 A 8.49 4.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.59 4.55 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 0.64 0.00 0.00 0.90 0.00 0.00 71 P 0.00 5.02 0.00 2.03 2.10 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 72 A 8.86 4.11 1.11 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 0.00 0.00 73 E 8.83 3.89 0.00 1.92 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 2.29 2.31 0.00 74 S 8.00 4.22 0.00 4.01 3.96 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 75 G 8.19 3.89 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 76 S 7.78 4.28 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.34 4.66 0.00 3.26 3.46 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 78 Q 8.81 5.08 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 79 E 9.39 5.20 0.00 1.86 1.89 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 2.33 2.40 0.00 80 Y 9.68 5.29 0.00 3.07 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 81 R 8.95 4.93 0.00 1.65 1.79 0.00 3.35 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 82 L 8.48 4.36 0.00 1.38 1.48 -0.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.61 4.27 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 1.25 0.00 0.00 84 D 8.77 4.39 0.00 2.73 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 85 K 8.13 4.01 0.00 1.77 2.01 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.55 7.81 86 G 8.23 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 87 R 8.61 4.19 0.00 1.90 2.14 0.00 3.14 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 88 A 7.88 4.35 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 89 L 8.16 4.29 0.00 2.16 1.91 0.99 0.77 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 90 F 8.38 4.03 0.00 2.93 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 91 P 0.00 3.99 0.00 2.17 2.04 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 92 L 7.82 3.87 0.00 1.71 1.80 0.92 0.49 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 93 L 8.09 3.89 0.00 1.85 1.65 0.99 1.29 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 94 V 7.45 3.31 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 0.87 0.00 0.00 -0.10 0.00 0.00 95 A 8.13 3.96 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 96 I 8.02 3.71 2.01 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 0.77 0.94 0.00 0.00 97 R 8.10 3.89 0.00 1.90 2.06 0.00 3.04 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 1.71 1.68 0.00 98 Q 8.42 4.15 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 99 W 8.55 4.55 0.00 3.54 3.49 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 0.00 100 G 8.59 3.66 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 0.00 0.00 0.00 101 E 8.45 3.89 0.00 2.07 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 1.93 2.40 0.00 102 D 8.02 4.31 0.00 2.66 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 0.00 0.00 0.00 103 Y 7.85 4.49 0.00 2.31 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 0.00 104 F 8.46 4.39 0.00 2.94 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 0.00 105 F 7.91 4.84 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.44 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.25 0.00 2.05 2.14 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 2.03 2.08 0.00 108 D 7.99 4.59 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.97 4.52 0.00 2.32 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 2.38 2.32 0.00 110 S 8.25 4.70 0.00 3.81 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 0.00 111 H 7.64 4.74 0.00 2.91 2.72 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.10 3.87 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 0.73 0.00 0.00 0.94 0.00 0.00 113 R 8.07 4.65 0.00 1.73 1.77 0.00 3.29 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 114 L 8.28 4.56 0.00 1.78 1.53 1.04 0.85 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 0.00 115 V 8.21 5.00 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 0.82 0.00 0.00 0.94 0.00 0.00 116 E 9.07 4.04 0.00 1.90 1.89 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 2.35 2.42 0.00 117 R 9.03 3.79 0.00 1.80 2.01 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 118 D 8.34 4.71 0.00 2.66 2.64 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 0.00 119 S 9.28 5.71 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.59 4.24 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 122 P 0.00 4.75 0.00 1.92 1.97 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 123 V 8.51 3.74 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 0.73 0.00 0.00 0.97 0.00 0.00 124 P 0.00 4.43 0.00 2.08 1.97 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 125 R 8.39 3.93 0.00 1.77 1.86 0.00 3.25 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 126 L 9.25 4.14 0.00 1.51 1.67 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.24 4.74 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 128 V 8.19 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 0.98 0.00 0.00 0.92 0.00 0.00 129 R 8.47 5.20 0.00 1.68 1.77 0.00 3.26 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 130 A 9.16 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.71 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.98 4.42 0.00 2.78 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 0.00 133 G 8.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.31 4.39 0.00 4.02 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 0.00 135 P 0.00 4.66 0.00 1.96 2.24 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 136 L 8.87 4.74 0.00 1.63 1.52 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.58 4.45 1.29 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 0.00 0.00 138 A 8.75 3.95 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 0.00 139 E 8.09 4.07 0.00 2.08 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 0.00 2.28 2.28 0.00 140 D 7.92 4.73 0.00 2.84 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 0.00 141 T 7.65 4.75 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 1.25 0.00 0.00 142 R 8.00 4.59 0.00 1.88 1.88 0.00 3.01 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 143 V 8.16 4.14 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 0.79 0.00 0.00 0.91 0.00 0.00 144 S 8.31 4.77 0.00 3.83 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 0.00 145 R 8.52 4.11 0.00 1.84 1.83 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.