NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4498 8.1627 120.6135 55.5661 34.9316 174.8780 2 V 4.0031 7.7040 118.4285 62.5618 31.4937 174.1662 3 I 4.1759 9.2284 131.7823 63.8565 38.2519 175.8732 4 A 4.6102 7.6352 120.7639 51.1326 22.4772 174.9399 5 T 4.8737 8.4653 117.3460 61.7335 71.3291 173.8477 6 I 4.4959 8.8273 126.7275 59.2680 40.6936 174.9417 7 Q 4.5398 8.7611 126.7839 55.7200 29.1295 177.3552 8 A 4.5650 9.2644 126.6869 54.5240 18.6066 178.6775 9 E 4.1912 8.5389 111.6159 58.4088 30.2107 176.4110 10 D 4.8410 8.0262 120.6932 54.5379 41.2616 176.3447 11 H 4.5361 7.7768 114.4034 55.1135 29.8009 175.5092 12 S 4.4596 8.5295 117.4910 61.0918 63.7345 174.1694 13 Q 4.8452 7.9445 117.4643 54.6512 33.4394 173.6324 14 Q 4.2433 7.9308 117.7510 55.3449 32.1030 173.3186 15 S 3.9323 7.5464 113.7684 57.6673 65.3073 174.8677 16 G 4.1927 9.3758 114.8327 46.3740 0.0000 172.6304 17 T 4.8391 7.7431 109.2652 59.9159 71.7269 173.5115 18 Q 4.6294 8.6506 122.9796 54.2207 31.9882 174.1688 19 Q 4.8784 8.7002 127.4708 55.9212 30.1993 174.3509 20 E 4.8637 9.1255 122.7108 54.9941 33.8474 174.2606 21 T 4.5541 8.5335 117.3965 63.9854 69.0820 174.0135 22 T 4.8212 8.5307 121.1048 60.6184 69.3173 174.2157 23 T 4.4773 8.5737 115.8569 61.2942 69.5145 174.0807 24 D 4.5015 7.8645 122.6088 54.1695 41.7089 175.4851 25 T 3.9570 8.3291 118.6200 65.7696 68.5742 174.7390 26 G 3.9151 8.8536 115.0056 43.8902 0.0000 175.4554 27 G 3.6585 8.8009 108.3014 48.5591 0.0000 172.1966 28 G 4.0607 8.7953 106.8230 45.1237 0.0000 173.2089 29 K 5.3446 8.3728 122.8631 54.4070 36.0618 174.4395 30 N 5.2785 9.2708 119.0853 51.1358 41.5814 173.1174 31 V 4.4473 8.9284 120.1680 62.4119 33.3282 175.3274 32 G 4.1446 8.9253 113.9699 45.7929 0.0000 170.6829 33 Y 3.5068 7.4058 112.5890 58.7838 35.7307 171.4984 34 I 4.1907 6.8907 119.5409 60.1452 38.8870 175.5349 35 D 5.1737 8.9463 124.5506 51.5842 44.0062 175.3457 36 A 4.3060 8.5456 123.7077 54.4939 18.5379 178.1791 37 G 4.1279 9.1907 112.2217 45.1813 0.0000 173.7889 38 D 4.8030 8.0917 119.8521 54.4742 42.1559 175.3404 39 W 5.7990 8.1424 116.4490 55.6700 32.3372 173.2717 40 L 5.0300 9.5123 120.0388 53.0552 45.3352 175.5788 41 S 4.9472 9.1929 118.2624 56.2869 65.3754 173.9284 42 Y 4.6667 8.8602 124.2652 57.7322 38.3846 178.0133 43 A 4.0556 7.9929 125.6873 55.0030 18.5684 180.4017 44 G 3.8228 8.1736 104.4403 47.7986 0.0000 174.1107 45 T 4.6133 7.5791 109.7649 58.4627 68.2528 171.2406 46 P 4.5662 0.0000 0.0000 63.6424 32.7374 175.7537 47 V 4.4593 8.7430 123.5254 61.0831 34.3235 173.7415 48 N 5.1250 8.7859 126.1687 52.8520 40.2404 173.8490 49 I 4.3452 8.6684 127.7510 59.0013 38.3767 175.1638 50 P 4.3247 0.0000 0.0000 65.2165 31.7582 176.6817 51 S 4.7135 7.5934 110.0887 56.6754 65.8630 174.2987 52 S 4.6244 8.7517 119.3726 57.7273 63.7340 175.4797 53 G 3.7944 7.8714 110.8564 45.8839 0.0000 170.5266 54 S 4.9007 8.0292 116.5108 58.1439 63.3856 174.5909 55 Y 4.6853 9.0983 124.0653 56.0217 42.1929 174.0211 56 L 4.9315 8.8055 125.1622 53.9201 44.0414 175.0002 57 I 4.6031 8.6451 127.8355 59.5822 39.3220 174.5116 58 E 5.1266 8.8806 126.6875 54.7020 32.7318 174.6624 59 Y 4.8730 8.8165 120.1573 56.1834 42.1744 174.4604 60 R 4.4237 8.2252 124.9710 55.0321 31.0426 175.3684 61 V 5.5146 9.0758 119.5860 59.7501 36.3626 174.7349 62 A 4.6669 8.3883 122.7491 50.5501 22.8896 175.4586 63 S 4.2644 8.4947 114.1796 57.4605 65.8463 175.0858 64 Q 3.3498 6.9657 128.9285 58.6714 28.7062 176.5750 65 N 4.5754 7.3888 110.5355 51.8467 40.3037 175.7664 66 G 3.6502 7.8482 107.6121 44.6276 0.0000 173.5390 67 G 3.9112 8.8909 106.6344 44.8467 0.0000 173.9611 68 G 4.1949 7.6729 107.0547 46.2071 0.0000 172.7039 69 S 4.9529 8.4045 112.8358 57.1613 66.7095 173.5686 70 L 5.3606 8.3955 120.5469 54.6152 44.5330 174.8797 71 T 5.1173 9.0604 116.6232 61.8494 71.4674 172.9044 72 F 5.5229 9.4768 129.8181 57.1274 41.3942 174.5583 73 E 4.4765 8.3646 122.7455 55.6212 33.3032 173.6332 74 E 4.5932 8.4698 118.4659 55.1719 31.2393 176.6826 75 A 4.0264 8.6624 126.1055 54.1813 18.7827 177.3735 76 G 3.8582 8.4842 110.8981 44.9743 0.0000 173.8361 77 G 3.8668 7.1573 105.6825 44.6995 0.0000 173.6754 78 A 4.8432 7.4034 120.4448 49.7253 22.2541 174.4526 79 P 4.4427 0.0000 0.0000 62.6951 33.0801 175.4132 80 V 4.0544 8.2238 121.4372 63.1966 31.8610 175.1452 81 H 4.8034 8.8653 125.3096 57.3648 30.0619 175.2964 82 G 4.3158 7.4559 103.1085 46.2491 0.0000 172.0363 83 T 5.3388 8.6425 109.4001 60.0289 72.2353 173.1757 84 I 4.4739 8.1493 121.3324 59.6048 41.8421 173.5434 85 A 4.5487 8.4421 130.6666 51.6420 19.5555 176.5564 86 I 4.1685 7.8909 123.3974 58.7683 38.3731 174.3421 87 P 4.5283 0.0000 0.0000 61.8287 32.5451 176.1038 88 A 4.0750 8.4069 124.1919 52.6039 18.7143 177.7174 89 T 4.2312 8.7226 111.8570 61.0371 69.8898 175.5504 90 G 3.7745 8.8666 110.5062 44.6478 0.0000 173.2237 91 G 3.7954 6.6989 106.3917 44.6565 0.0000 174.8495 92 W 4.3412 8.6163 120.2757 58.6834 29.2641 177.0202 93 Q 4.3736 7.8206 116.6169 55.7191 29.3630 175.0060 94 T 4.4418 7.1859 115.6179 62.0208 69.3162 174.3289 95 W 5.0426 8.7075 126.3812 55.5463 31.3868 175.6149 96 T 4.7857 8.9860 116.3822 61.1890 71.1888 172.1758 97 T 5.0545 8.5103 121.7933 61.7916 70.3141 174.0804 98 I 4.7478 8.5803 119.9871 59.4170 40.9516 174.3095 99 Q 5.3381 8.3738 119.3801 55.7106 31.5049 172.8107 100 H 5.1111 9.2672 115.4664 54.9534 32.6361 171.8761 101 T 5.1413 8.4020 108.5983 60.3577 70.9233 174.0638 102 V 4.6587 8.5287 115.2912 59.7911 36.7221 173.7684 103 N 5.2328 8.8039 121.2789 53.1868 40.0664 174.2119 104 L 5.0571 9.1631 125.4836 52.7714 45.6768 176.2793 105 S 4.8108 8.8503 117.3944 57.7877 64.1391 173.8619 106 A 4.1733 8.5191 124.1944 53.4427 19.0657 176.3400 107 G 3.6594 8.4447 105.7575 44.0050 0.0000 172.0727 108 S 4.8839 8.4683 114.5134 57.9498 63.2687 174.4181 109 H 4.7928 9.3881 123.7887 53.9295 32.5411 173.1745 110 Q 4.6501 8.6103 120.1162 54.2249 30.8057 175.1472 111 F 5.1611 8.6323 123.1570 57.1267 41.1455 175.1172 112 G 4.7553 9.3376 107.2752 45.1186 0.0000 171.5442 113 I 5.5326 9.2663 121.4057 59.2187 41.0766 174.4089 114 K 5.1748 9.2334 127.8233 54.5271 34.9218 174.6387 115 A 5.0294 9.2793 130.1074 52.0993 19.0119 177.6946 116 N 4.7086 9.2526 120.5041 54.9911 40.0247 175.6590 117 A 4.6905 8.0359 119.0057 50.7957 22.9122 176.8763 118 G 4.2707 8.6760 110.0328 44.9468 0.0000 174.1655 119 G 4.1752 9.3354 108.8682 45.3486 0.0000 173.0899 120 W 5.6862 7.5789 114.0889 54.9064 31.4472 173.3350 121 N 5.3398 9.6972 117.6890 51.4782 42.0485 173.5257 122 L 5.2763 8.9877 122.5676 54.1405 45.0689 176.0080 123 N 4.5446 9.5512 125.8327 55.1083 40.2967 174.3782 124 W 5.6082 7.1697 113.0927 55.7983 31.7434 172.8214 125 I 5.0835 9.2456 120.9854 59.6012 40.7888 174.8283 126 R 4.9887 8.8910 124.7561 54.7724 33.7320 173.5816 127 I 4.8091 8.7533 127.1389 59.7214 39.5110 174.4604 128 N 5.5570 9.1666 123.8342 51.1092 42.6012 174.3955 129 K 4.3252 9.1638 121.7577 56.8343 32.4531 177.0842 130 T 4.1046 8.1752 113.5561 63.3533 70.5717 174.9419 *131 H 4.5154 8.0731 122.3742 54.6089 28.6959 176.7951 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 4.45 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 V 7.70 4.00 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 0.74 0.00 0.00 0.94 0.00 0.00 3 I 9.23 4.18 2.02 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 1.31 1.11 0.94 0.00 0.00 4 A 7.64 4.61 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.47 4.87 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 0.87 0.00 0.00 6 I 8.83 4.50 1.66 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 1.20 0.62 0.39 0.00 0.00 7 Q 8.76 4.54 0.00 2.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 8 A 9.26 4.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.54 4.19 0.00 2.12 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 0.00 2.32 2.31 0.00 10 D 8.03 4.84 0.00 2.98 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 0.00 11 H 7.78 4.54 0.00 3.29 2.88 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.53 4.46 0.00 3.97 4.09 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 13 Q 7.94 4.85 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 14 Q 7.93 4.24 0.00 1.67 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 1.77 2.11 0.00 15 S 7.55 3.93 0.00 2.72 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 16 G 9.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.74 4.84 4.27 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 1.08 0.00 0.00 18 Q 8.65 4.63 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 19 Q 8.70 4.88 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 20 E 9.13 4.86 0.00 2.08 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 0.00 2.44 2.38 0.00 21 T 8.53 4.55 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 22 T 8.53 4.82 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 1.12 0.00 0.00 23 T 8.57 4.48 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 D 7.86 4.50 0.00 1.58 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 0.00 0.00 0.00 25 T 8.33 3.96 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 G 8.85 3.92 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 0.00 0.00 0.00 27 G 8.80 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 28 G 8.80 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 0.00 0.00 0.00 29 K 8.37 5.34 0.00 1.63 1.80 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 30 N 9.27 5.28 0.00 3.07 2.88 0.00 0.00 6.84 7.33 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 31 V 8.93 4.45 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 0.87 0.00 0.00 1.10 0.00 0.00 32 G 8.93 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 33 Y 7.41 3.51 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 6.89 4.19 1.19 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.78 0.35 0.00 0.00 35 D 8.95 5.17 0.00 2.63 2.53 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 36 A 8.55 4.31 1.34 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 0.00 0.00 37 G 9.19 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.09 4.80 0.00 2.68 2.55 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 39 W 8.14 5.80 0.00 3.55 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 40 L 9.51 5.03 0.00 1.80 1.46 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.19 4.95 0.00 4.00 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 42 Y 8.86 4.67 0.00 3.48 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 43 A 7.99 4.06 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 44 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 45 T 7.58 4.61 4.33 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 1.30 0.00 0.00 46 P 0.00 4.57 0.00 1.95 1.99 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 47 V 8.74 4.46 2.30 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 1.10 0.00 0.00 1.15 0.00 0.00 48 N 8.79 5.13 0.00 2.78 2.70 0.00 0.00 7.01 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.67 4.35 1.91 0.00 0.00 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 1.08 0.47 0.67 0.00 0.00 50 P 0.00 4.32 0.00 2.24 2.23 0.00 3.85 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 2.16 2.05 0.00 51 S 7.59 4.71 0.00 4.06 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 52 S 8.75 4.62 0.00 3.94 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 53 G 7.87 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 54 S 8.03 4.90 0.00 3.86 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 55 Y 9.10 4.69 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.81 4.93 0.00 1.74 1.52 1.05 1.04 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 57 I 8.65 4.60 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 -0.26 0.00 0.00 58 E 8.88 5.13 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 59 Y 8.82 4.87 0.00 2.77 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 60 R 8.23 4.42 0.00 0.67 0.66 0.00 3.04 0.00 0.00 2.81 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.28 0.00 61 V 9.08 5.51 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 0.69 0.00 0.00 0.89 0.00 0.00 62 A 8.39 4.67 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.49 4.26 0.00 3.85 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 64 Q 6.97 3.35 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.57 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 65 N 7.39 4.58 0.00 2.60 2.71 0.00 0.00 6.92 7.65 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 66 G 7.85 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.89 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 68 G 7.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.40 4.95 0.00 3.86 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 70 L 8.40 5.36 0.00 1.97 1.59 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.06 5.12 4.33 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 1.30 0.00 0.00 72 F 9.48 5.52 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 73 E 8.36 4.48 0.00 2.04 1.95 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 2.38 2.24 0.00 74 E 8.47 4.59 0.00 2.01 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 2.34 2.35 0.00 75 A 8.66 4.03 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 76 G 8.48 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 77 G 7.16 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 0.00 0.00 0.00 78 A 7.40 4.84 1.15 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 0.00 0.00 79 P 0.00 4.44 0.00 2.19 2.21 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 80 V 8.22 4.05 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 0.86 0.00 0.00 0.97 0.00 0.00 81 H 8.87 4.80 0.00 3.36 3.49 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.46 4.32 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 0.00 83 T 8.64 5.34 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 84 I 8.15 4.47 1.41 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.04 0.23 0.00 0.00 85 A 8.44 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.89 4.17 1.34 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.03 0.69 0.00 0.00 87 P 0.00 4.53 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 88 A 8.41 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.72 4.23 4.15 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 1.10 0.00 0.00 90 G 8.87 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 0.00 0.00 0.00 91 G 6.70 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 92 W 8.62 4.34 0.00 3.22 3.06 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 93 Q 7.82 4.37 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 94 T 7.19 4.44 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 1.23 0.00 0.00 95 W 8.71 5.04 0.00 3.30 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 96 T 8.99 4.79 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 1.18 0.00 0.00 97 T 8.51 5.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 98 I 8.58 4.75 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.86 0.00 0.00 99 Q 8.37 5.34 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 100 H 9.27 5.11 0.00 3.24 3.40 0.00 5.25 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.40 5.14 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 0.00 102 V 8.53 4.66 2.33 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 0.79 0.00 0.00 1.12 0.00 0.00 103 N 8.80 5.23 0.00 2.79 2.78 0.00 0.00 6.79 7.78 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 0.00 104 L 9.16 5.06 0.00 1.50 1.37 0.76 0.94 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 0.00 105 S 8.85 4.81 0.00 3.90 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 0.00 106 A 8.52 4.17 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 G 8.44 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 0.00 108 S 8.47 4.88 0.00 3.86 3.72 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 0.00 109 H 9.39 4.79 0.00 2.32 1.86 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.61 4.65 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 111 F 8.63 5.16 0.00 3.33 3.05 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 0.00 112 G 9.34 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 9.27 5.53 2.29 0.00 0.00 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 1.64 1.35 1.28 0.00 0.00 114 K 9.23 5.17 0.00 1.94 1.74 0.00 1.66 0.00 0.00 2.06 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 115 A 9.28 5.03 1.51 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 0.00 116 N 9.25 4.71 0.00 2.68 2.93 0.00 0.00 6.80 6.95 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 0.00 117 A 8.04 4.69 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 0.00 118 G 8.68 4.27 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 0.00 119 G 9.34 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 0.00 0.00 0.00 0.00 120 W 7.58 5.69 0.00 3.49 2.97 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 0.00 121 N 9.70 5.34 0.00 2.51 3.14 0.00 0.00 6.76 6.75 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 0.00 122 L 8.99 5.28 0.00 2.21 1.69 1.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 N 9.55 4.54 0.00 1.68 2.06 0.00 0.00 6.32 7.51 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 0.00 124 W 7.17 5.61 0.00 3.45 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 0.00 125 I 9.25 5.08 1.76 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 1.26 0.64 0.51 0.00 0.00 126 R 8.89 4.99 0.00 1.84 1.91 0.00 2.92 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 127 I 8.75 4.81 1.81 0.00 0.00 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 0.89 0.42 0.86 0.00 0.00 128 N 9.17 5.56 0.00 2.57 2.65 0.00 0.00 6.65 7.57 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 0.00 129 K 9.16 4.33 0.00 1.58 1.64 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.51 7.81 130 T 8.18 4.10 4.15 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 1.13 0.00 0.00 *131 H 8.07 4.52 0.00 2.70 2.92 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.