NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1240 8.1633 120.7336 55.2451 33.7331 173.9972 2 R 5.3901 9.1812 122.2844 50.5360 34.4402 169.3612 3 V 5.0513 8.3525 121.6041 59.8817 36.0750 173.9431 4 V 4.8527 9.4596 121.8029 61.3362 34.7597 174.1220 5 I 4.9861 8.8511 128.3661 59.7263 40.0842 174.6487 6 Q 5.4738 8.9352 124.4225 52.8323 32.8959 174.4126 7 R 4.4075 8.7321 124.6625 56.6217 30.7571 175.7123 8 V 4.8511 8.9875 120.1389 59.9963 34.5240 176.5535 9 K 4.2929 8.3596 119.9997 56.4134 33.3538 176.8278 10 G 4.4546 7.5617 106.7361 45.6732 0.0000 172.0307 11 A 5.4665 8.5076 121.6591 50.8384 23.1315 175.2669 12 I 4.7453 8.4968 123.3268 59.3794 40.1692 174.4362 13 L 5.1384 8.4800 128.2708 53.6078 44.9109 175.5012 14 S 5.9886 8.8743 122.0106 56.2739 66.5672 174.2519 15 V 4.8437 8.2860 108.8455 60.2366 34.8679 175.2994 *27 L 4.4236 7.8201 120.1570 55.5361 41.5432 175.8324 28 E 4.6447 8.4866 125.1624 53.6344 31.8893 174.8269 29 I 4.2861 8.4713 121.7004 61.6574 37.4263 175.8448 30 I 4.6347 8.7995 116.6869 60.8427 40.2077 175.5889 31 S 4.8722 7.9838 117.0017 56.6745 67.1207 173.0871 32 E 4.9562 8.6059 123.2337 55.1750 32.3829 174.0404 33 I 5.3014 8.6658 119.9162 57.2913 41.5031 176.2922 34 K 4.7131 8.9345 122.6067 55.8670 31.0514 178.3928 35 N 4.3822 8.6225 125.5361 53.9744 39.6608 173.0107 36 G 4.7253 6.2655 108.7882 46.0955 0.0000 172.4185 37 L 5.2728 8.2415 124.0329 52.8089 45.2845 175.4196 38 I 4.3884 8.6028 123.7140 60.3774 39.9962 174.2725 39 C 5.0212 9.0406 125.4963 58.0843 31.7394 173.0463 40 F 5.3195 9.3851 124.3281 56.0327 40.1973 174.7916 41 L 5.3856 9.1015 126.5023 53.1315 45.4090 175.3643 42 G 4.8343 9.3992 112.4526 44.7356 0.0000 171.5566 43 I 5.1280 8.8659 124.5868 60.5380 39.5276 174.0457 44 H 4.0604 10.2797 128.9560 54.6341 31.5395 176.4357 45 K 3.7571 8.1290 126.9933 57.4869 31.5301 176.8936 46 N 5.0294 7.6393 114.5180 52.8620 39.1021 174.7166 47 D 4.8547 8.1988 118.4737 54.3363 42.7540 176.9647 48 T 4.9181 8.3637 112.3610 61.4887 69.7302 175.7488 49 W 4.8862 8.9922 125.4009 59.4398 31.0070 178.0723 50 E 3.9750 8.4583 118.5225 59.6999 28.8209 179.0055 51 D 4.4848 8.3337 117.6454 57.6826 41.1835 178.4349 52 A 3.7926 7.5718 120.1374 55.5528 18.3270 179.4014 53 L 3.4996 8.2158 117.7619 57.3359 41.7053 178.9529 54 Y 3.8688 8.8148 120.1702 61.3026 38.8428 178.5237 55 I 3.7379 8.2310 120.8161 64.3495 37.2893 177.9926 56 I 3.1672 7.7963 120.0645 65.5294 36.7981 178.1277 57 R 3.4378 8.0872 116.3921 59.8906 30.2937 177.6340 58 K 3.9111 8.2832 117.6841 59.8898 32.1112 179.2131 59 C 4.1971 7.8581 115.8680 62.7664 28.1199 175.6608 60 L 4.2950 7.9961 118.9092 55.8488 41.2460 177.6727 61 N 4.8147 7.6232 113.9330 52.4479 40.0111 174.3233 62 L 4.0856 7.7349 120.1791 54.0077 41.7218 176.5072 63 R 4.5778 8.5886 123.6977 56.6390 28.7856 176.2380 64 L 4.9777 8.4927 121.1468 53.7423 43.9114 176.8785 65 W 4.7151 8.1609 119.3407 54.5188 31.1775 175.6420 66 N 4.7155 8.4110 118.9381 53.5104 38.7808 174.1652 67 N 4.4467 9.3070 115.0553 54.1429 43.4475 174.3902 68 D 4.0362 8.6334 124.5229 55.6677 40.4099 174.1330 69 N 4.4080 9.0458 111.4907 55.4479 39.1778 174.6336 70 K 4.5651 6.7797 113.9413 54.7959 32.1272 175.8165 71 T 4.2915 8.3308 113.9922 60.3627 70.9723 174.2586 72 W 3.7945 7.3261 120.3781 58.3159 27.1532 173.9885 73 D 4.8044 9.0447 118.9939 55.1845 42.8486 176.1400 74 K 4.8030 7.9302 117.8433 54.4372 34.9501 175.9301 75 N 5.6895 9.7402 123.0128 51.0851 40.5996 176.5188 76 V 3.6934 8.4676 119.2436 65.2050 31.3359 178.0829 77 K 3.3876 7.0930 118.0251 59.7815 32.1865 178.0959 78 D 4.2683 8.9954 118.7577 57.7755 40.3001 178.1911 79 L 3.5988 7.4731 116.6260 54.3538 42.2013 177.2841 80 N 4.3089 7.7849 115.1019 53.3004 36.5658 173.0349 81 Y 4.9367 7.8191 115.3151 57.2954 40.6623 176.0849 82 E 5.1053 8.8284 119.5798 55.0082 32.2730 175.5693 83 L 5.1990 8.5768 122.1557 53.9284 43.8653 175.0793 84 L 4.5501 9.1758 125.9524 54.0955 43.6085 175.4277 85 I 4.3348 9.0179 129.6121 60.0263 38.4651 174.9466 86 V 4.8261 8.6301 128.2270 60.7200 34.3666 174.5060 87 S 4.8645 9.1573 122.9969 58.6366 62.9638 173.2144 88 Q 4.5488 9.4008 130.6526 54.0279 30.0597 175.8797 89 F 4.6445 8.4835 122.5624 59.2533 38.3143 177.2525 90 T 4.3659 7.1130 110.2326 62.5264 68.7622 176.0615 91 L 4.0504 7.5893 121.5857 57.5697 42.0675 177.6632 92 F 4.6875 8.6525 116.7933 57.4882 38.8115 176.1185 93 G 3.8048 7.7345 112.2327 43.7791 0.0000 172.1933 94 N 4.2976 8.3692 123.5294 54.6415 39.4886 175.1598 95 T 4.5437 8.3016 117.8722 62.0264 69.4030 175.5432 96 K 4.1115 8.4189 125.7700 57.5086 32.4903 181.1559 97 K 4.3530 7.7163 120.5951 54.3691 30.5848 182.6223 98 G 3.9399 7.5702 111.1625 45.7447 0.0000 171.6663 99 N 4.6713 8.8402 121.9887 53.6436 38.6185 175.2785 100 K 4.4765 7.6705 120.0579 52.0442 34.1824 178.4243 101 P 4.8259 0.0000 0.0000 59.5632 30.3443 175.4452 102 D 4.2381 8.2604 123.5708 54.7911 41.0446 175.4462 103 F 5.1608 8.5481 124.4305 57.0356 39.2187 177.4820 104 H 4.0709 8.6102 121.0704 59.1488 28.7627 176.6078 105 L 4.1012 8.0418 117.2942 56.2253 42.0005 176.6469 106 A 4.0442 7.5994 120.7140 51.1805 19.0070 177.5005 107 K 3.9846 7.8460 122.1486 56.0005 33.2623 176.5615 108 E 3.9779 8.9291 127.4060 56.2777 30.5845 176.0842 109 P 4.3555 0.0000 0.0000 65.9481 31.7233 178.2205 110 N 4.5031 8.1997 113.6547 55.6914 38.9734 176.0778 111 E 4.2630 8.7140 117.2885 58.1395 30.5869 178.4353 112 A 4.1438 8.3084 121.0805 55.9195 18.2393 178.3924 113 L 2.4400 7.6321 115.7493 57.7260 42.0236 178.3217 114 I 3.7816 7.6731 116.7327 65.2263 38.3989 176.7435 115 F 4.2525 9.0202 120.3719 61.0822 38.8542 177.1294 116 Y 4.2408 8.8140 119.0694 59.8926 39.5993 177.7276 117 N 4.6703 8.2769 116.1633 53.9636 37.5801 176.6912 118 K 4.3533 8.5424 120.2454 57.8985 32.4062 178.9307 119 I 3.8269 7.4080 120.2098 64.1004 37.4159 177.8077 120 I 3.9081 7.8171 120.7813 64.5464 36.6774 177.2950 121 D 4.7116 7.5620 115.0700 54.9447 40.7759 176.3252 122 E 4.5542 7.6014 119.4280 56.6794 31.8906 177.5335 123 F 4.5146 7.9748 117.7807 60.5450 38.6733 177.3713 124 K 4.1962 8.1525 118.7989 59.2863 32.1039 178.6721 125 K 3.9221 8.1868 117.5150 60.0576 32.0552 178.2898 126 Q 4.1615 9.1187 119.7372 57.4297 29.2803 176.8290 127 Y 4.3186 8.9004 121.8088 58.5557 37.1322 176.1397 128 N 4.8173 8.6821 112.6674 52.0564 42.6362 173.3702 129 D 4.3074 8.5153 121.5702 57.0710 41.6227 177.1529 130 D 4.3768 7.9172 118.0150 56.7555 41.4935 176.6763 131 K 4.3591 7.8384 115.9426 56.4066 33.4003 176.2174 132 I 4.3724 7.5666 121.9754 59.9244 38.0062 175.0275 133 K 4.7202 8.4217 127.4591 54.5971 35.0739 176.2435 134 I 5.2417 7.3545 116.7325 59.5537 39.9916 174.4660 135 G 4.0830 7.8249 106.1775 45.4980 0.0000 174.4778 136 K 4.0705 8.5389 122.0453 53.9619 30.0666 176.1490 137 F 3.6934 8.7110 126.6236 58.7855 39.5958 174.8954 138 G 3.4864 8.5781 117.9210 45.4061 0.0000 171.5700 139 N 4.9245 7.3602 114.7832 51.7768 43.2848 174.3665 140 Y 4.3619 8.7325 121.9386 58.5692 38.9327 174.6931 141 M 4.8803 8.6153 126.3886 52.6583 35.3695 175.0844 142 N 4.8552 8.4659 119.3591 52.0277 41.8996 172.9601 143 I 4.9091 8.3613 127.3567 59.5365 39.7038 175.1404 144 D 4.5922 9.3194 128.8828 53.8902 41.9876 175.8082 145 V 4.3294 8.3257 123.3224 61.2241 34.2172 174.9368 146 T 4.2597 8.4029 126.5516 63.3481 69.2877 173.8092 147 N 5.0597 8.7747 124.3651 52.1671 40.2223 175.2489 148 D 4.6496 10.6100 124.5699 50.2859 39.8621 174.3953 149 G 4.0033 8.2577 117.3248 44.7890 0.0000 169.7981 150 P 4.4459 0.0000 0.0000 61.2444 32.9674 175.2803 151 V 4.4735 8.1303 117.2730 61.5025 34.2252 173.9447 152 T 5.6839 8.5974 123.8764 60.9483 71.4763 173.5817 153 I 4.6609 8.3397 125.4222 59.7009 41.0487 173.7770 154 Y 5.2710 8.6992 126.8860 56.2461 41.8473 174.6196 155 I 4.2551 6.8413 122.6769 59.7101 42.5572 173.3157 156 D 4.9932 8.1178 125.7308 52.1262 43.6649 175.9514 157 T 3.8676 8.8534 115.1842 62.7767 68.5492 174.8481 158 H 4.7766 7.8969 120.1273 58.0359 30.1677 176.1998 159 D 4.5510 8.1028 117.8002 57.3895 41.4928 177.8412 160 I 4.1484 7.2585 123.2936 61.1672 37.1659 175.6820 161 N 4.5625 8.2976 122.2751 54.5312 39.2476 174.0424 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 5.12 0.00 1.73 2.03 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 9.18 5.39 0.00 1.49 1.72 0.00 2.21 0.00 0.00 2.84 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.00 3 V 8.35 5.05 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 0.83 0.00 0.00 1.04 0.00 0.00 4 V 9.46 4.85 2.36 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 1.19 0.00 0.00 1.17 0.00 0.00 5 I 8.85 4.99 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.89 0.00 0.00 6 Q 8.94 5.47 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 7 R 8.73 4.41 0.00 1.79 1.95 0.00 2.21 0.00 0.00 2.83 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.36 0.00 8 V 8.99 4.85 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 0.87 0.00 0.00 0.97 0.00 0.00 9 K 8.36 4.29 0.00 1.66 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.38 7.81 10 G 7.56 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 5.47 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.50 4.75 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 1.22 0.60 0.97 0.00 0.00 13 L 8.48 5.14 0.00 1.63 1.63 0.95 0.77 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 14 S 8.87 5.99 0.00 3.67 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 15 V 8.29 4.84 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 1.05 0.00 0.00 0.91 0.00 0.00 *27 L 7.82 4.42 0.00 1.62 1.67 0.90 0.61 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 28 E 8.49 4.64 0.00 2.02 1.81 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 2.25 2.25 0.00 29 I 8.47 4.29 1.86 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 1.39 0.70 0.90 0.00 0.00 30 I 8.80 4.63 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.98 0.00 0.00 31 S 7.98 4.87 0.00 3.78 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 32 E 8.61 4.96 0.00 1.92 1.77 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 2.26 2.30 0.00 33 I 8.67 5.30 1.92 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 1.21 1.54 0.89 0.00 0.00 34 K 8.93 4.71 0.00 1.82 1.18 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 35 N 8.62 4.38 0.00 1.98 1.45 0.00 0.00 6.73 7.60 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 36 G 6.27 4.73 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 0.00 0.00 0.00 37 L 8.24 5.27 0.00 1.59 1.53 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.60 4.39 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 1.45 0.84 0.00 0.00 39 C 9.04 5.02 0.00 2.80 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 40 F 9.39 5.32 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.10 5.39 0.00 1.90 1.66 1.19 1.05 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 42 G 9.40 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.87 5.13 2.10 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.30 0.90 0.00 0.00 44 H 10.28 4.06 0.00 3.23 3.48 0.00 5.63 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 45 K 8.13 3.76 0.00 1.76 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.34 7.81 46 N 7.64 5.03 0.00 2.82 2.88 0.00 0.00 6.93 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 8.20 4.85 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.36 4.92 4.43 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 1.30 0.00 0.00 49 W 8.99 4.89 0.00 3.39 3.12 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 50 E 8.46 3.98 0.00 2.09 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 2.51 2.44 0.00 51 D 8.33 4.48 0.00 2.85 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 52 A 7.57 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.22 3.50 0.00 1.58 1.42 0.74 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.81 3.87 0.00 3.12 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 55 I 8.23 3.74 2.13 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 1.56 0.78 0.98 0.00 0.00 56 I 7.80 3.17 1.41 0.00 0.00 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 -0.28 0.66 0.09 0.00 0.00 57 R 8.09 3.44 0.00 1.63 1.76 0.00 3.11 0.00 0.00 2.96 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 58 K 8.28 3.91 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.37 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.65 7.81 59 C 7.86 4.20 0.00 3.41 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.00 4.30 0.00 1.81 1.60 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.62 4.81 0.00 2.70 2.75 0.00 0.00 7.00 7.87 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 62 L 7.73 4.09 0.00 1.70 1.58 0.88 0.90 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 63 R 8.59 4.58 0.00 1.95 2.14 0.00 3.17 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 64 L 8.49 4.98 0.00 0.86 1.07 0.73 0.92 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 65 W 8.16 4.72 0.00 3.68 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 66 N 8.41 4.72 0.00 2.62 2.63 0.00 0.00 6.74 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 9.31 4.45 0.00 2.58 2.66 0.00 0.00 7.13 8.46 0.00 0.00 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 8.63 4.04 0.00 2.81 2.18 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 69 N 9.05 4.41 0.00 2.73 2.79 0.00 0.00 6.80 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 6.78 4.57 0.00 2.08 1.84 0.00 1.66 0.00 0.00 2.15 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.50 7.81 71 T 8.33 4.29 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 1.15 0.00 0.00 72 W 7.33 3.79 0.00 3.44 3.33 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 73 D 9.04 4.80 0.00 2.84 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 74 K 7.93 4.80 0.00 1.86 1.66 0.00 1.93 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.28 7.81 75 N 9.74 5.69 0.00 3.05 3.07 0.00 0.00 6.62 7.68 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 76 V 8.47 3.69 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 0.95 0.00 0.00 1.10 0.00 0.00 77 K 7.09 3.39 0.00 1.62 1.79 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.88 0.82 7.81 78 D 9.00 4.27 0.00 2.71 2.52 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 0.00 0.00 0.00 0.00 79 L 7.47 3.60 0.00 0.27 0.13 0.34 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.78 4.31 0.00 2.63 2.81 0.00 0.00 6.93 7.50 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 81 Y 7.82 4.94 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.83 5.11 0.00 1.95 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 2.26 2.29 0.00 83 L 8.58 5.20 0.00 1.64 1.75 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.18 4.55 0.00 1.68 1.49 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.02 4.33 1.69 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.69 0.00 0.00 86 V 8.63 4.83 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 1.06 0.00 0.00 0.84 0.00 0.00 87 S 9.16 4.86 0.00 4.02 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 88 Q 9.40 4.55 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 89 F 8.48 4.64 0.00 3.26 3.28 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 90 T 7.11 4.37 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 -0.06 0.00 0.00 91 L 7.59 4.05 0.00 1.70 1.72 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.65 4.69 0.00 3.59 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 93 G 7.73 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 94 N 8.37 4.30 0.00 2.75 2.98 0.00 0.00 6.57 7.22 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 95 T 8.30 4.54 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 1.11 0.00 0.00 96 K 8.42 4.11 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 97 K 7.72 4.35 0.00 1.76 1.65 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.98 7.81 98 G 7.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.84 4.67 0.00 2.69 2.83 0.00 0.00 6.46 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 7.67 4.48 0.00 1.74 1.55 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.98 7.81 101 P 0.00 4.83 0.00 0.78 1.68 0.00 3.68 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 102 D 8.26 4.24 0.00 2.58 2.54 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 0.00 103 F 8.55 5.16 0.00 3.19 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 0.00 104 H 8.61 4.07 0.00 3.45 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.04 4.10 0.00 1.93 1.87 1.07 0.91 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 0.00 106 A 7.60 4.04 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 0.00 107 K 7.85 3.98 0.00 1.56 1.64 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.21 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.43 1.29 7.81 108 E 8.93 3.98 0.00 2.00 1.75 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 2.35 2.26 0.00 109 P 0.00 4.36 0.00 2.23 2.09 0.00 3.57 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 2.00 2.01 0.00 110 N 8.20 4.50 0.00 2.87 2.89 0.00 0.00 6.87 7.66 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 0.00 111 E 8.71 4.26 0.00 2.18 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 2.27 2.37 0.00 112 A 8.31 4.14 1.68 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 0.00 0.00 113 L 7.63 2.44 0.00 1.16 1.39 0.62 1.11 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 0.00 114 I 7.67 3.78 1.88 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 1.56 1.10 0.98 0.00 0.00 115 F 9.02 4.25 0.00 3.39 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 0.00 116 Y 8.81 4.24 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.28 4.67 0.00 3.05 2.89 0.00 0.00 6.92 7.66 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 0.00 118 K 8.54 4.35 0.00 1.89 1.85 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.45 7.81 119 I 7.41 3.83 1.83 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.26 0.88 0.00 0.00 120 I 7.82 3.91 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.91 0.00 0.00 121 D 7.56 4.71 0.00 2.88 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 0.00 122 E 7.60 4.55 0.00 2.18 1.58 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 1.86 2.11 0.00 123 F 7.97 4.51 0.00 3.27 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.15 4.20 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 125 K 8.19 3.92 0.00 2.04 1.94 0.00 1.82 0.00 0.00 2.07 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 126 Q 9.12 4.16 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 127 Y 8.90 4.32 0.00 2.99 2.76 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 0.00 128 N 8.68 4.82 0.00 2.57 2.14 0.00 0.00 6.52 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 8.52 4.31 0.00 2.63 2.65 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 0.00 130 D 7.92 4.38 0.00 2.61 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 0.00 131 K 7.84 4.36 0.00 1.49 1.96 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.01 7.81 132 I 7.57 4.37 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.80 0.00 0.00 133 K 8.42 4.72 0.00 1.64 1.65 0.00 1.46 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.38 7.81 134 I 7.35 5.24 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.90 0.96 0.00 0.00 135 G 7.82 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 0.00 0.00 0.00 136 K 8.54 4.07 0.00 1.79 1.67 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 137 F 8.71 3.69 0.00 2.60 2.95 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 0.00 138 G 8.58 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 0.00 0.00 0.00 139 N 7.36 4.92 0.00 2.94 2.71 0.00 0.00 7.18 7.46 0.00 0.00 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 8.73 4.36 0.00 2.93 2.86 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 0.00 141 M 8.62 4.88 0.00 1.93 1.98 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 2.52 2.47 0.00 142 N 8.47 4.86 0.00 2.58 2.56 0.00 0.00 6.82 7.70 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 0.00 143 I 8.36 4.91 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 1.02 0.00 0.00 144 D 9.32 4.59 0.00 2.66 2.60 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 0.00 145 V 8.33 4.33 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 0.87 0.00 0.00 1.03 0.00 0.00 146 T 8.40 4.26 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 1.22 0.00 0.00 147 N 8.77 5.06 0.00 2.63 2.76 0.00 0.00 6.92 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 10.61 4.65 0.00 2.52 2.68 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 0.00 149 G 8.26 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 0.00 0.00 0.00 150 P 0.00 4.45 0.00 2.22 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 151 V 8.13 4.47 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 1.10 0.00 0.00 1.04 0.00 0.00 152 T 8.60 5.68 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 1.31 0.00 0.00 153 I 8.34 4.66 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.88 0.00 0.00 154 Y 8.70 5.27 0.00 2.89 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 6.84 4.26 1.67 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 1.07 0.27 0.77 0.00 0.00 156 D 8.12 4.99 0.00 2.65 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 0.00 157 T 8.85 3.87 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 1.06 0.00 0.00 158 H 7.90 4.78 0.00 3.26 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.10 4.55 0.00 2.61 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 0.00 160 I 7.26 4.15 1.58 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 1.36 0.68 0.12 0.00 0.00 161 N 8.30 4.56 0.00 2.65 2.66 0.00 0.00 6.59 7.56 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 * Residues marked with a * may have inaccurate shift predictions.