NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0496 8.1633 120.7275 55.1826 34.0387 173.7001 2 R 4.9212 9.3129 120.7049 52.3257 33.3358 169.9205 3 V 4.9550 8.9990 123.2001 59.8657 35.2696 174.3162 4 V 4.8948 8.7843 124.3253 61.5902 33.4576 174.0649 5 I 4.8776 8.7572 130.0384 59.8656 39.2932 174.9392 6 Q 5.7442 8.9702 125.9034 53.1542 32.1891 174.6153 7 R 4.6744 8.4544 124.0199 55.8084 31.5246 175.3165 8 V 4.9680 8.8455 119.3683 59.5328 35.1905 176.9691 9 K 4.1820 9.3769 123.8242 57.7486 32.6162 177.3822 10 G 4.4888 7.6190 108.2868 45.8112 0.0000 171.8342 11 A 5.1118 8.0184 121.5636 50.7939 23.2198 175.3145 12 I 4.6700 9.2720 124.2918 59.3168 40.1061 174.5107 13 L 5.2763 9.1148 128.9143 53.3908 45.0718 175.2366 14 S 5.2992 9.5346 120.8813 56.9849 67.4725 173.2519 15 V 4.6269 8.2300 114.6914 59.6495 36.4423 174.9477 16 R 4.7657 8.5779 120.8582 54.9089 29.4999 176.8530 17 K 3.8320 8.4834 124.8772 59.5754 32.6674 177.5357 *25 K 4.1258 7.6792 118.3751 56.3341 33.4338 174.7112 26 E 4.7768 8.1934 123.7449 55.1049 34.4298 174.0231 27 L 5.0275 8.5117 119.7696 55.1245 42.9425 176.9167 28 E 4.7161 8.8757 119.1389 54.9085 33.2193 174.5322 29 I 4.2655 8.8220 125.3564 61.1112 37.5295 175.6738 30 I 4.6386 8.2245 117.9543 59.8098 39.3184 175.1102 31 S 4.6113 7.8057 114.1175 58.1327 65.4323 174.5514 32 E 5.2635 8.7156 125.9271 55.2271 32.5485 173.8407 33 I 4.7719 8.8069 119.6860 58.5066 41.5672 175.3473 34 K 4.6248 9.5563 126.6385 55.8575 30.9372 177.4377 35 N 4.6863 8.5545 123.9603 53.4738 39.8233 174.5805 36 G 4.3718 7.3960 109.9220 46.3493 0.0000 171.8890 37 L 5.3363 8.7356 123.9934 52.7830 45.7431 175.0971 38 I 4.8069 8.4992 122.2631 59.3914 40.9831 174.0379 39 C 5.1233 8.6942 125.8286 58.1343 32.2448 172.7628 40 F 5.2523 9.2451 123.3484 55.9030 40.6959 174.5863 41 L 5.1025 9.6913 126.7272 53.3625 44.7044 175.0571 42 G 4.6424 9.4583 115.0959 44.9010 0.0000 171.8608 43 I 5.0132 8.4956 126.7039 59.7932 39.1600 175.3078 44 H 3.7815 9.7695 128.6556 55.0812 30.3240 176.3347 45 K 3.8825 7.3860 122.6774 59.2029 32.5735 177.6190 46 N 4.8192 8.0273 115.2504 52.8911 38.6985 174.5919 47 D 4.6399 7.6065 119.2685 54.5377 41.5696 175.6881 48 T 4.9170 8.6258 112.4898 58.9797 72.0330 175.0113 49 W 4.3896 9.0437 129.9363 60.9678 30.4113 177.2339 50 E 3.8952 8.5492 116.5969 59.7893 29.1526 179.0005 51 D 4.4528 8.0977 118.1693 57.4894 41.0122 177.9575 52 A 3.8452 8.1673 120.3136 55.6159 18.1676 179.1981 53 L 3.4248 7.3250 116.3621 58.0278 41.6495 179.6635 54 Y 3.8136 7.7021 118.5988 60.6526 38.7609 177.4257 55 I 3.7134 7.9398 120.3476 64.7146 37.1283 178.0469 56 I 3.0957 7.3892 119.9136 64.3902 36.8417 177.9055 57 R 3.7080 7.6491 119.0718 60.1928 29.7095 177.8331 58 K 3.5974 8.0124 116.7282 60.1857 31.9034 178.4282 59 C 3.9848 8.5190 117.9700 63.4924 28.7328 176.3708 60 L 4.2592 8.4192 119.8999 56.5538 41.1643 178.2138 61 N 4.6765 8.3525 114.6968 52.3119 40.3458 175.3397 62 L 3.8219 7.7013 120.2698 55.5258 42.1310 177.1889 63 R 4.6714 8.6066 122.4947 55.3166 29.6455 175.8649 64 L 4.8818 8.6800 121.7271 53.7442 44.1776 176.9053 65 W 4.6098 8.2435 119.2489 54.2459 30.8848 175.3703 66 N 4.5615 8.5750 119.5807 54.0438 38.1264 175.7214 67 N 4.4833 9.1700 123.9982 53.0378 37.4269 171.9883 68 D 4.3134 7.1196 116.7043 55.2477 40.9084 175.7053 69 N 4.6655 10.2058 123.7436 52.3299 36.3157 174.2802 70 K 4.3324 7.4884 114.3581 56.4665 35.4412 174.4364 71 T 4.4498 8.4305 110.6149 59.9593 71.4578 173.7047 72 W 3.8198 7.3784 119.3784 58.5474 26.7916 174.1708 73 D 4.8119 8.1787 116.6463 55.2211 43.2562 175.6934 74 K 4.6197 8.1582 118.1711 54.5389 33.9906 175.5771 75 N 5.4575 8.3216 119.0897 50.9886 40.0800 175.8108 76 V 3.2899 7.7664 114.4909 65.8879 31.9193 178.5583 77 K 3.6309 7.8421 118.9549 59.1397 32.2361 178.5955 78 D 4.2301 8.3730 118.1993 56.9143 40.7547 177.5837 79 L 4.1512 6.9299 115.7018 53.5803 41.6353 175.6215 80 N 4.1725 7.6613 115.2399 54.9491 37.6760 173.5219 81 Y 4.9199 8.0747 113.8244 56.8816 40.2897 174.9956 82 E 5.0164 8.5681 118.9195 55.0996 32.7766 175.5332 83 L 5.2371 8.8268 120.2755 52.9936 46.4690 175.6677 84 L 4.9726 8.7022 123.8122 53.5350 45.1931 174.9799 85 I 4.7369 8.6921 128.5401 59.6502 39.4070 175.0572 86 V 4.4859 8.8567 127.4154 60.8240 34.3917 174.6001 87 S 4.8019 8.7047 122.8652 58.8276 63.3450 174.3683 88 Q 4.5432 9.3618 125.8926 53.9890 30.3026 174.9993 89 F 4.3700 9.0383 119.4091 59.8257 38.3231 178.5328 90 T 3.2755 6.7015 110.7578 64.0905 68.3304 175.8646 91 L 3.8923 7.7134 121.3374 57.1573 41.6614 177.7112 92 F 4.5011 9.0157 116.9277 56.9247 38.8555 176.0408 93 G 3.6852 8.2082 111.2770 45.8506 0.0000 172.8666 94 N 4.5686 9.4538 127.0369 53.2038 39.5635 175.7003 95 T 4.7551 8.1443 113.8004 61.4395 70.0029 175.1656 96 K 3.9771 8.4403 123.2147 59.6932 32.0961 177.6152 97 K 4.1440 7.8940 120.3120 55.5356 31.1817 176.7119 98 G 3.8483 8.4545 111.4847 45.1627 0.0000 170.8461 99 N 4.6325 8.4142 113.3840 52.7246 38.8666 175.5455 100 K 4.3000 7.6431 120.8592 53.3351 31.6533 173.5000 101 P 4.1852 0.0000 0.0000 62.9449 31.5657 175.3633 102 D 4.4947 9.2752 121.1627 53.0868 42.2489 176.6877 103 F 5.2554 8.3883 122.9790 57.5003 40.1734 176.6187 104 H 4.1391 8.3423 120.8488 58.7371 30.0789 176.3088 105 L 4.0657 8.1255 118.8400 57.4029 41.8875 176.9798 106 A 4.1477 8.0383 119.4935 51.2091 19.1426 177.6080 107 K 3.9997 8.4647 121.9635 55.9219 33.3534 176.6013 108 E 3.9483 8.9594 127.7712 56.4573 30.4878 175.9193 109 P 4.3091 0.0000 0.0000 65.7813 30.8846 178.1428 110 N 4.3896 8.6605 115.8867 56.2089 38.4736 177.4540 111 E 4.3131 8.1414 118.9052 58.9907 29.5607 179.0631 112 A 4.1386 7.9823 120.7909 54.9423 18.0005 179.3485 113 L 2.9377 7.3559 118.4745 57.8249 41.8795 179.4035 114 I 3.7304 7.2086 120.1785 64.2859 37.0867 177.5676 115 F 4.0316 8.1983 120.9267 61.8277 39.1482 176.2392 116 Y 4.3623 8.8401 119.1046 61.3378 38.5414 178.2534 117 N 4.3787 8.0968 116.2584 56.4185 38.5918 177.5830 118 K 4.0254 7.9103 119.4975 59.1739 32.0258 179.5575 119 I 3.5422 8.0418 120.6080 64.3470 37.0023 178.3113 120 I 3.8326 7.9224 120.9499 64.7606 36.8958 178.1078 121 D 4.3927 8.2982 119.6165 57.5657 40.6650 178.6913 122 E 4.0222 8.3947 119.7166 59.0570 29.4709 178.8168 123 F 4.2465 8.3734 118.2765 60.6301 38.7816 177.8141 124 K 4.0700 8.2666 117.0604 59.0644 31.9023 179.1206 125 K 4.1070 8.1610 119.3057 59.8138 32.3719 178.7528 126 Q 4.2780 8.5705 116.2039 55.8656 28.8782 175.8220 127 Y 5.0501 8.1960 116.9527 57.4713 38.5300 177.0152 128 N 4.6706 8.8601 119.0383 52.1001 41.6501 173.0731 129 D 4.4620 8.7462 123.9949 54.6071 39.3979 176.1264 130 D 4.5276 8.9467 120.0921 55.1206 42.0632 176.7389 131 K 4.3863 7.9989 117.8209 56.0272 33.3710 175.6810 132 I 4.6259 7.5557 121.4381 59.7031 38.8565 175.0336 133 K 4.8325 9.3240 127.1253 54.5326 35.4490 175.3500 134 I 5.1881 7.5260 113.8084 57.8436 40.7731 176.0717 135 G 4.2480 8.2488 115.5660 46.1668 0.0000 175.3028 136 K 4.6224 8.4669 126.3102 54.2989 34.6275 176.0244 137 F 3.7663 9.3709 129.2183 61.3813 39.1644 176.4041 138 G 3.7423 8.0559 106.0180 46.4835 0.0000 173.4854 139 N 4.7021 7.6986 117.4029 52.2404 39.5362 174.2701 140 Y 4.1202 8.4537 121.7036 57.9838 39.4216 174.8599 141 M 4.9912 7.5322 125.3562 53.4104 36.2537 174.4223 142 N 4.8033 8.8164 118.5324 52.0261 42.3678 173.1293 143 I 4.9285 8.3090 126.2742 59.4184 40.4481 175.0569 144 D 4.5368 8.9861 128.7387 54.2711 41.4728 175.7264 145 V 4.5229 8.4242 123.7280 61.4365 34.1375 175.6971 146 T 4.5022 8.5893 124.8157 61.3461 68.9592 172.0967 147 N 4.6507 8.5539 122.4536 53.5960 39.3964 174.1683 148 D 4.1610 10.4558 125.4464 55.9391 40.6614 173.6315 149 G 3.6211 8.8390 118.4895 44.4889 0.0000 170.9907 150 P 4.4121 0.0000 0.0000 61.4581 33.0208 176.0611 151 V 4.4212 8.0473 117.3821 61.6579 34.6191 173.9597 152 T 5.0421 8.6886 124.0975 62.0591 71.1321 173.2342 153 I 4.4511 8.9406 128.5684 60.0609 39.3439 174.5493 154 Y 5.2090 8.5494 126.3292 55.9210 41.7005 174.4721 155 I 4.4071 7.9377 126.2529 59.3701 41.1590 173.5456 156 D 5.2199 8.2511 126.2588 52.5422 43.0924 177.0574 157 T 3.8477 8.9782 116.7411 64.5600 69.1966 176.0761 158 H 4.2863 7.9941 117.2878 57.5299 28.6134 175.1767 159 D 4.8457 7.4242 117.1332 53.7680 41.0946 176.3099 160 I 3.9472 7.7604 125.7178 61.4652 38.1832 174.0980 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 1 M 8.16 5.05 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.31 4.92 0.00 1.52 1.73 0.00 2.21 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 3 V 9.00 4.95 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 0.78 0.00 0.00 1.03 0.00 0.00 4 V 8.78 4.89 2.35 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 1.20 0.00 0.00 1.18 0.00 0.00 5 I 8.76 4.88 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.95 0.00 0.00 6 Q 8.97 5.74 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 7 R 8.45 4.67 0.00 1.53 1.59 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.00 8 V 8.85 4.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 9 K 9.38 4.18 0.00 1.77 1.86 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.55 7.81 10 G 7.62 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.02 5.11 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 12 I 9.27 4.67 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 1.11 1.00 0.91 0.00 0.00 13 L 9.11 5.28 0.00 1.62 1.66 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.53 5.30 0.00 3.74 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 15 V 8.23 4.63 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 16 R 8.58 4.77 0.00 1.74 1.93 0.00 3.32 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 17 K 8.48 3.83 0.00 1.89 2.18 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.41 7.81 *25 K 7.68 4.13 0.00 2.08 1.79 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.05 7.81 26 E 8.19 4.78 0.00 1.95 1.82 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 2.29 2.39 0.00 27 L 8.51 5.03 0.00 1.57 1.64 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.88 4.72 0.00 2.02 2.02 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 2.34 2.32 0.00 29 I 8.82 4.27 1.88 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 1.04 0.96 0.91 0.00 0.00 30 I 8.22 4.64 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 1.02 0.00 0.00 31 S 7.81 4.61 0.00 3.88 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 32 E 8.72 5.26 0.00 1.97 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 2.18 2.36 0.00 33 I 8.81 4.77 1.93 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 1.19 0.55 0.87 0.00 0.00 34 K 9.56 4.62 0.00 1.66 1.40 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.50 7.81 35 N 8.55 4.69 0.00 1.44 1.93 0.00 0.00 6.66 7.69 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 36 G 7.40 4.37 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 0.00 37 L 8.74 5.34 0.00 1.65 1.58 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.50 4.81 1.73 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 0.32 1.31 0.90 0.00 0.00 39 C 8.69 5.12 0.00 2.85 2.82 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 40 F 9.25 5.25 0.00 2.97 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 41 L 9.69 5.10 0.00 2.03 1.80 1.22 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.46 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 43 I 8.50 5.01 1.95 0.00 0.00 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 1.56 1.06 0.62 0.00 0.00 44 H 9.77 3.78 0.00 2.58 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.39 3.88 0.00 1.79 1.74 0.00 1.55 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.25 7.81 46 N 8.03 4.82 0.00 2.83 2.90 0.00 0.00 6.95 8.06 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 47 D 7.61 4.64 0.00 2.48 2.39 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 48 T 8.63 4.92 4.39 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 1.35 0.00 0.00 49 W 9.04 4.39 0.00 3.43 3.16 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 0.00 0.00 0.00 0.00 50 E 8.55 3.90 0.00 2.03 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 2.44 0.00 51 D 8.10 4.45 0.00 3.20 2.81 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 52 A 8.17 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.32 3.42 0.00 1.49 1.58 0.54 1.07 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 54 Y 7.70 3.81 0.00 3.18 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 55 I 7.94 3.71 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.89 1.00 0.00 0.00 56 I 7.39 3.10 1.39 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.38 0.00 0.00 57 R 7.65 3.71 0.00 1.80 1.78 0.00 3.02 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.76 0.00 58 K 8.01 3.60 0.00 1.89 1.74 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.31 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.95 1.46 7.81 59 C 8.52 3.98 0.00 3.39 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 60 L 8.42 4.26 0.00 1.66 1.63 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.35 4.68 0.00 2.55 2.81 0.00 0.00 7.00 7.62 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 62 L 7.70 3.82 0.00 1.71 1.71 0.94 0.83 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 63 R 8.61 4.67 0.00 1.93 2.03 0.00 3.18 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 64 L 8.68 4.88 0.00 0.91 1.33 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.24 4.61 0.00 3.38 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.57 4.56 0.00 2.65 2.74 0.00 0.00 6.90 8.00 0.00 0.00 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 N 9.17 4.48 0.00 2.78 2.75 0.00 0.00 6.45 8.65 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 68 D 7.12 4.31 0.00 2.70 2.56 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 69 N 10.21 4.67 0.00 2.81 3.28 0.00 0.00 7.02 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 70 K 7.49 4.33 0.00 1.93 1.86 0.00 1.29 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 71 T 8.43 4.45 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 1.12 0.00 0.00 72 W 7.38 3.82 0.00 3.41 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 73 D 8.18 4.81 0.00 2.76 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 74 K 8.16 4.62 0.00 1.86 1.64 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 75 N 8.32 5.46 0.00 3.13 3.15 0.00 0.00 6.67 7.49 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 76 V 7.77 3.29 2.02 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 1.08 0.00 0.00 1.19 0.00 0.00 77 K 7.84 3.63 0.00 1.60 1.51 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.94 7.81 78 D 8.37 4.23 0.00 2.70 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 79 L 6.93 4.15 0.00 0.27 0.52 0.16 0.66 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 80 N 7.66 4.17 0.00 2.73 2.79 0.00 0.00 7.01 8.06 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 81 Y 8.07 4.92 0.00 2.71 2.71 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 82 E 8.57 5.02 0.00 1.88 1.82 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 2.22 2.27 0.00 83 L 8.83 5.24 0.00 1.44 1.26 1.12 0.76 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 84 L 8.70 4.97 0.00 1.66 1.39 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.69 4.74 1.84 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.41 1.05 0.00 0.00 86 V 8.86 4.49 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 1.04 0.00 0.00 0.87 0.00 0.00 87 S 8.70 4.80 0.00 3.43 3.30 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 88 Q 9.36 4.54 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 89 F 9.04 4.37 0.00 3.28 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 90 T 6.70 3.28 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 0.31 0.00 0.00 91 L 7.71 3.89 0.00 1.95 1.68 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 F 9.02 4.50 0.00 3.29 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 93 G 8.21 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 94 N 9.45 4.57 0.00 2.81 2.79 0.00 0.00 6.48 5.70 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 95 T 8.14 4.76 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 1.16 0.00 0.00 96 K 8.44 3.98 0.00 1.75 1.89 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.44 7.81 97 K 7.89 4.14 0.00 1.69 1.75 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.45 7.81 98 G 8.45 3.85 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 0.00 0.00 0.00 99 N 8.41 4.63 0.00 2.69 2.82 0.00 0.00 6.65 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 0.00 100 K 7.64 4.30 0.00 1.68 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.41 7.81 101 P 0.00 4.19 0.00 1.38 1.86 0.00 3.77 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 1.97 1.98 0.00 102 D 9.28 4.49 0.00 2.53 2.57 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 0.00 103 F 8.39 5.26 0.00 3.27 3.16 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 0.00 0.00 0.00 0.00 104 H 8.34 4.14 0.00 3.21 3.40 0.00 5.95 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 8.13 4.07 0.00 2.00 1.88 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.04 4.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.00 0.00 1.86 1.67 0.00 1.75 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.29 7.81 108 E 8.96 3.95 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 109 P 0.00 4.31 0.00 2.22 2.09 0.00 3.59 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 2.04 2.03 0.00 110 N 8.66 4.39 0.00 3.01 2.85 0.00 0.00 7.16 6.97 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 0.00 111 E 8.14 4.31 0.00 2.03 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 2.33 2.44 0.00 112 A 7.98 4.14 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.36 2.94 0.00 0.89 1.36 0.73 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.21 3.73 2.09 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 1.40 1.02 0.93 0.00 0.00 115 F 8.20 4.03 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.84 4.36 0.00 3.31 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.10 4.38 0.00 3.03 2.89 0.00 0.00 7.11 7.85 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 0.00 118 K 7.91 4.03 0.00 1.95 1.88 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.38 7.81 119 I 8.04 3.54 2.04 0.00 0.00 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 1.18 0.53 0.94 0.00 0.00 120 I 7.92 3.83 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.89 0.00 0.00 121 D 8.30 4.39 0.00 2.85 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 0.00 122 E 8.39 4.02 0.00 2.50 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 2.38 2.32 0.00 123 F 8.37 4.25 0.00 3.31 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 0.00 124 K 8.27 4.07 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.62 7.81 125 K 8.16 4.11 0.00 1.97 1.89 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.57 4.28 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 127 Y 8.20 5.05 0.00 2.75 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 0.00 128 N 8.86 4.67 0.00 2.42 1.57 0.00 0.00 6.64 8.49 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 0.00 129 D 8.75 4.46 0.00 2.78 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 0.00 130 D 8.95 4.53 0.00 2.51 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.00 4.39 0.00 0.93 1.80 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.00 1.06 7.81 132 I 7.56 4.63 1.82 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 1.46 0.92 0.78 0.00 0.00 133 K 9.32 4.83 0.00 1.58 1.66 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.46 7.81 134 I 7.53 5.19 2.13 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 1.29 1.16 0.94 0.00 0.00 135 G 8.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.47 4.62 0.00 1.77 1.65 0.00 1.79 0.00 0.00 1.99 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 137 F 9.37 3.77 0.00 2.92 3.07 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 0.00 0.00 0.00 138 G 8.06 3.74 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 0.00 0.00 0.00 139 N 7.70 4.70 0.00 2.93 2.80 0.00 0.00 6.90 7.01 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 0.00 140 Y 8.45 4.12 0.00 2.95 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 0.00 141 M 7.53 4.99 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 142 N 8.82 4.80 0.00 2.86 2.63 0.00 0.00 7.27 7.12 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 0.00 143 I 8.31 4.93 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.96 0.00 0.00 144 D 8.99 4.54 0.00 2.63 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 0.00 145 V 8.42 4.52 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 0.91 0.00 0.00 1.04 0.00 0.00 146 T 8.59 4.50 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 1.21 0.00 0.00 147 N 8.55 4.65 0.00 2.62 2.79 0.00 0.00 7.04 8.06 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 0.00 148 D 10.46 4.16 0.00 2.73 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 0.00 149 G 8.84 3.62 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 0.00 0.00 0.00 150 P 0.00 4.41 0.00 2.21 2.09 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 151 V 8.05 4.42 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 1.13 0.00 0.00 0.91 0.00 0.00 152 T 8.69 5.04 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 1.28 0.00 0.00 153 I 8.94 4.45 1.91 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 1.15 0.96 0.93 0.00 0.00 154 Y 8.55 5.21 0.00 2.94 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 0.00 155 I 7.94 4.41 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.99 0.00 0.00 156 D 8.25 5.22 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.98 3.85 4.21 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 1.21 0.00 0.00 158 H 7.99 4.29 0.00 3.09 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.42 4.85 0.00 2.76 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 0.00 160 I 7.76 3.95 1.78 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 1.09 0.34 0.52 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.