NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3465 8.2649 123.5816 52.6298 20.0188 176.0810 2 T 4.5710 8.2106 113.9830 63.3321 70.9999 173.0597 3 K 5.3300 8.2917 121.7712 54.9324 37.4414 174.7163 4 A 5.3465 9.2176 124.3175 51.4514 23.4812 175.0510 5 V 5.0204 8.5732 116.5520 61.0346 35.2800 173.0803 6 A 5.0347 8.9734 123.0623 50.4630 23.2186 175.0940 7 V 4.6127 8.3823 121.5824 61.1915 33.9094 174.3891 8 L 4.8761 8.9173 129.3609 54.0684 43.0372 176.2323 9 K 4.8247 8.9866 122.1895 55.6140 37.1110 176.3945 10 G 4.5152 7.8860 108.3472 46.3206 0.0000 172.3020 11 D 4.4809 8.9926 118.7024 57.0940 41.6113 176.7660 12 G 4.1003 7.6274 111.1536 44.7469 0.0000 172.0373 13 P 4.4095 0.0000 0.0000 63.5140 32.1002 175.8206 14 V 4.2846 7.5494 120.4518 63.1314 31.9353 175.0502 15 Q 4.8332 8.7315 126.2544 54.5535 33.4918 174.2713 16 G 4.2700 8.1909 106.7260 46.0151 0.0000 172.2383 17 I 5.0742 8.1561 120.6508 59.3228 40.7814 174.8327 18 I 4.6693 8.5609 127.5102 59.4764 40.1720 174.6539 19 N 5.0038 8.6201 124.6086 51.5413 41.2620 173.9441 20 F 5.6481 8.5744 118.3335 55.1423 43.9281 173.6305 21 E 5.3194 8.8863 121.3105 55.3215 33.3063 173.3996 22 Q 4.5657 9.1663 128.1562 54.4315 31.0709 174.6918 23 K 4.0737 9.1899 128.4458 58.8691 32.9611 176.0944 24 E 4.5210 7.8493 117.8759 54.6119 30.8986 177.2841 25 S 3.8577 8.6690 118.1458 60.8995 62.4211 174.5875 26 N 4.9249 8.0018 113.4930 52.0573 37.8538 174.6582 27 G 3.9060 8.4926 109.5714 44.5635 0.0000 171.5287 28 P 4.6804 0.0000 0.0000 62.7011 32.5427 175.8038 29 V 4.5813 9.2721 122.3888 61.4696 33.7894 174.5517 30 K 5.0049 9.1969 127.7191 55.2415 34.2364 175.6100 31 V 4.8786 9.1995 124.9072 60.8183 34.2905 174.2854 32 W 5.9408 7.8480 123.4691 55.4445 32.0330 175.3716 33 G 3.6176 7.6353 106.2871 45.7469 0.0000 171.2227 34 S 5.1321 7.8193 113.9867 56.9810 66.7542 174.4651 35 I 5.1675 8.5446 124.6549 59.5043 41.4625 174.5059 36 K 4.8583 9.2987 125.2659 55.5112 36.3470 176.9464 37 G 3.7986 8.8596 105.5946 46.6695 0.0000 173.2910 38 L 4.5626 7.3681 119.7304 52.8140 43.4849 176.0542 39 T 4.2949 8.1442 110.8092 60.8125 70.0267 174.2365 40 E 4.0621 8.6838 124.6074 58.1696 30.3352 175.6343 41 G 4.0776 8.6295 109.5344 43.8529 0.0000 172.2073 42 L 4.8187 8.1320 118.4171 54.8412 42.7641 176.6789 43 H 4.9352 9.1456 119.5605 53.6395 32.8409 173.1482 44 G 4.0564 9.1395 111.1811 47.1631 0.0000 172.0844 45 F 5.5502 9.1724 125.3066 56.8923 42.3006 173.0780 46 H 5.3649 8.8028 122.1872 54.1814 33.9240 172.6528 47 V 4.4799 8.8189 121.0264 62.2025 32.9099 175.1434 48 H 5.0876 9.4052 125.5962 54.5515 30.6224 176.0186 49 E 3.6911 9.4369 122.4204 58.9935 29.3382 177.0424 50 F 4.9102 8.2568 118.1605 54.8651 41.6626 176.8489 51 G 4.2166 8.2765 112.3202 43.8252 0.0000 174.0281 52 D 4.7466 7.8297 117.0544 52.6762 42.6828 174.6792 53 N 4.8012 8.6140 124.3391 53.3228 39.3900 175.3701 54 T 3.9226 8.3892 108.2156 64.6945 69.2499 174.0763 55 A 4.7083 8.0030 124.7356 51.2125 19.6391 175.3105 56 G 3.8978 7.7982 113.9172 47.0574 0.0000 176.1238 57 C 4.4506 8.6070 116.2501 59.4752 39.3268 175.8524 58 T 3.8634 7.7727 117.6691 66.4631 67.7389 175.7301 59 S 4.5326 7.3849 112.8977 59.1679 63.4403 175.4872 60 A 4.4482 7.6175 126.9145 54.4426 18.3165 178.8400 61 G 4.1601 7.9238 104.5182 44.5687 0.0000 170.5383 62 P 4.7533 0.0000 0.0000 61.7767 34.2277 174.9843 63 H 4.5134 8.4834 116.5030 55.9160 29.3302 175.7166 64 F 4.2997 9.0621 125.7026 58.6700 40.4962 174.0905 65 N 4.0444 8.1125 120.8476 52.4656 39.5443 170.6042 66 P 4.5585 0.0000 0.0000 61.0166 32.7305 175.5088 67 L 4.6392 8.0921 123.6900 53.2692 45.5042 176.3037 *79 R 4.1446 8.1492 117.4672 55.5600 30.7862 175.4903 80 S 4.4155 8.2120 112.2818 58.7597 63.5148 175.4782 81 V 3.4428 8.1246 121.6331 66.3823 31.3377 177.8852 82 G 3.8289 8.0108 106.4518 48.6067 0.0000 173.8922 83 S 4.4970 7.6764 116.6513 58.0433 62.7797 174.0081 84 L 4.6740 8.8769 126.7803 53.7278 42.5796 178.1074 85 G 4.0803 8.4493 108.5983 46.2227 0.0000 174.0045 86 N 5.6345 8.5960 120.9366 51.4914 42.7215 173.4341 87 V 4.3586 8.5941 113.2814 59.9256 35.5417 175.2216 88 T 4.9597 8.1515 117.9365 61.8268 71.1681 173.1933 89 A 4.5765 9.0298 130.1645 51.2348 20.3788 177.3968 90 D 5.0555 8.8672 122.2886 52.0116 41.4135 177.0487 91 K 4.6130 8.4884 116.6654 58.9227 32.4457 177.0390 92 D 4.7363 8.6275 119.1014 53.9452 41.0969 176.7540 93 G 4.0326 8.4891 107.3704 45.0314 0.0000 172.9762 94 V 4.5747 7.8841 119.5483 60.8273 33.8105 174.2354 95 A 5.2240 8.9526 130.5468 49.7930 20.6080 175.2691 96 D 4.7550 8.5819 122.8803 53.9533 42.1008 176.4956 97 V 4.1421 8.9342 124.8552 61.6723 33.6009 175.1892 98 S 4.6692 8.3779 122.3437 57.7400 64.2726 172.8788 99 I 4.8855 9.4951 128.0476 59.5002 41.8203 174.1223 100 E 5.1480 8.7973 124.4957 54.5950 32.4471 174.3846 101 D 4.8562 9.3086 125.7329 53.0820 44.6545 175.6745 102 S 4.5578 9.0030 120.2484 58.7322 63.9805 175.1875 103 V 3.9504 8.0208 120.3443 64.9654 31.8171 176.3713 104 I 4.0922 8.1187 111.8013 60.9327 38.2453 174.3444 105 S 4.6616 8.7203 114.6433 57.5143 65.5466 173.9385 106 L 4.7655 8.7667 121.2232 53.9056 41.5172 176.5826 107 S 4.4116 8.1085 111.5368 58.6098 65.9866 176.2059 108 G 3.8463 8.4035 108.9337 44.7011 0.0000 173.5856 109 D 4.4667 8.5563 117.0307 57.2260 41.1458 177.0186 110 H 5.0264 8.1573 114.8869 55.4248 28.9667 174.3984 111 S 5.1462 8.2584 115.3028 58.1002 62.7696 173.9591 112 I 3.7297 8.0135 119.3541 60.3358 37.9956 175.3216 113 I 3.6943 7.1706 123.4783 62.9084 37.2257 176.5017 114 G 3.8093 9.3437 113.4242 45.4652 0.0000 172.8848 115 R 4.8489 7.3285 119.2373 54.6004 33.8355 174.4376 116 T 4.9514 8.0470 115.2437 62.1977 71.5606 173.4530 117 L 4.7904 8.6634 128.1882 53.7845 44.3385 175.2945 118 V 4.9937 8.7260 125.6791 60.9740 35.2187 174.1478 119 V 5.0421 8.6865 127.1362 60.4886 33.4995 174.9559 120 H 5.2196 9.0900 122.6673 54.4981 30.0808 175.2032 121 E 4.1825 9.2232 122.0909 59.0555 30.0022 176.8625 122 K 4.7011 8.5356 117.7228 53.8950 35.5684 175.5695 123 A 4.5359 8.2765 122.4151 52.0356 19.6916 176.5169 124 D 4.6756 9.2689 121.7676 53.8363 41.7366 176.3420 125 D 4.5246 8.8164 125.1933 53.4596 39.9797 176.4276 126 L 3.7899 9.4466 119.2293 55.9585 39.7430 175.6463 127 G 3.9872 9.1215 105.3563 45.6740 0.0000 174.6699 128 K 4.6519 7.9063 118.2790 55.6845 32.5089 177.0199 129 G 3.7011 8.1162 105.8747 46.0490 0.0000 174.6644 130 G 3.9422 9.5857 107.7673 45.5124 0.0000 172.9341 131 N 4.7891 7.5635 115.6671 54.6478 44.9739 175.2190 *140 A 4.3735 7.3363 118.1533 50.8111 20.7258 177.7188 141 G 3.6542 8.0157 104.4706 44.4085 0.0000 173.5405 142 S 4.3693 8.5348 112.8867 58.5806 64.6918 174.0730 143 R 4.4181 8.3840 120.2689 55.2283 29.4140 176.4156 144 L 4.2753 8.8600 126.0924 57.5894 42.9048 177.2335 145 A 4.7747 7.7877 117.5577 51.5316 22.7498 174.0154 146 C 5.6987 8.2083 113.4486 55.6188 46.7106 172.8875 147 G 4.8254 8.0110 102.1320 45.8756 0.0000 173.2309 148 V 4.1829 8.5215 123.7742 62.7924 32.7701 175.4172 149 I 4.2346 8.7666 129.1795 60.6602 38.0775 175.2077 150 G 4.4240 8.8317 114.6340 43.7865 0.0000 171.9815 151 I 4.4697 8.3272 121.5483 61.2723 37.6002 175.4193 152 A 4.8258 8.5233 127.5600 49.7802 22.4641 175.9737 153 Q 4.0850 8.5368 118.6168 56.4241 29.2279 175.7714 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 A 8.26 4.35 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 2 T 8.21 4.57 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 1.31 0.00 0.00 3 K 8.29 5.33 0.00 1.71 1.78 0.00 1.90 0.00 0.00 2.01 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.74 1.59 7.81 4 A 9.22 5.35 1.14 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 5 V 8.57 5.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 6 A 8.97 5.03 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 7 V 8.38 4.61 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 0.99 0.00 0.00 0.92 0.00 0.00 8 L 8.92 4.88 0.00 1.71 1.60 1.08 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 4.82 0.00 1.66 1.62 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.89 4.52 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 0.00 0.00 0.00 11 D 8.99 4.48 0.00 2.66 2.74 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 12 G 7.63 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 13 P 0.00 4.41 0.00 2.22 2.29 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 14 V 7.55 4.28 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 0.77 0.00 0.00 0.90 0.00 0.00 15 Q 8.73 4.83 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 16 G 8.19 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 17 I 8.16 5.07 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 1.20 1.17 0.83 0.00 0.00 18 I 8.56 4.67 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.62 0.46 0.00 0.00 19 N 8.62 5.00 0.00 1.44 1.42 0.00 0.00 6.39 5.35 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 20 F 8.57 5.65 0.00 2.83 2.91 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 21 E 8.89 5.32 0.00 2.41 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 2.41 2.44 0.00 22 Q 9.17 4.57 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 23 K 9.19 4.07 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.48 7.81 24 E 7.85 4.52 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 25 S 8.67 3.86 0.00 3.83 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 26 N 8.00 4.92 0.00 2.83 2.85 0.00 0.00 5.99 7.00 0.00 0.00 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 8.49 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 28 P 0.00 4.68 0.00 2.14 2.10 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 2.02 1.99 0.00 29 V 9.27 4.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.04 0.00 0.00 30 K 9.20 5.00 0.00 1.93 1.86 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 V 9.20 4.88 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 0.74 0.00 0.00 1.09 0.00 0.00 32 W 7.85 5.94 0.00 3.48 3.17 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 33 G 7.64 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 34 S 7.82 5.13 0.00 3.88 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 35 I 8.54 5.17 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.37 0.94 0.00 0.00 36 K 9.30 4.86 0.00 1.72 1.87 0.00 1.32 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.33 7.81 37 G 8.86 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 38 L 7.37 4.56 0.00 1.59 1.41 0.79 0.71 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 39 T 8.14 4.29 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 1.24 0.00 0.00 40 E 8.68 4.06 0.00 2.02 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 2.39 2.49 0.00 41 G 8.63 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 42 L 8.13 4.82 0.00 1.52 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.15 4.94 0.00 3.00 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.14 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 45 F 9.17 5.55 0.00 2.97 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 46 H 8.80 5.36 0.00 3.12 2.87 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.82 4.48 2.11 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 0.83 0.00 0.00 0.86 0.00 0.00 48 H 9.41 5.09 0.00 3.07 3.44 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.44 3.69 0.00 1.67 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 1.47 1.84 0.00 50 F 8.26 4.91 0.00 3.01 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 51 G 8.28 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 0.00 0.00 0.00 0.00 52 D 7.83 4.75 0.00 2.64 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 53 N 8.61 4.80 0.00 2.71 2.78 0.00 0.00 7.24 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 54 T 8.39 3.92 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 1.21 0.00 0.00 55 A 8.00 4.71 1.25 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 56 G 7.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.61 4.45 0.00 2.98 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 58 T 7.77 3.86 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 1.23 0.00 0.00 59 S 7.38 4.53 0.00 4.16 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 60 A 7.62 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.92 4.16 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 0.00 62 P 0.00 4.75 0.00 2.10 2.24 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 63 H 8.48 4.51 0.00 2.94 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.06 4.30 0.00 2.83 2.96 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 65 N 8.11 4.04 0.00 2.48 2.52 0.00 0.00 7.08 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 66 P 0.00 4.56 0.00 2.14 1.87 0.00 2.78 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 67 L 8.09 4.64 0.00 1.56 1.54 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *79 R 8.15 4.14 0.00 1.85 1.76 0.00 3.28 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 80 S 8.21 4.42 0.00 4.10 3.98 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 81 V 8.12 3.44 1.53 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 0.51 0.00 0.00 0.51 0.00 0.00 82 G 8.01 3.83 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 83 S 7.68 4.50 0.00 3.76 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 84 L 8.88 4.67 0.00 1.84 1.85 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 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 86 N 8.60 5.63 0.00 2.59 2.70 0.00 0.00 6.58 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 87 V 8.59 4.36 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 -0.36 0.00 0.00 0.75 0.00 0.00 88 T 8.15 4.96 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 1.20 0.00 0.00 89 A 9.03 4.58 1.26 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 0.00 0.00 90 D 8.87 5.06 0.00 2.86 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 91 K 8.49 4.61 0.00 1.88 1.99 0.00 1.14 0.00 0.00 2.36 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.63 4.74 0.00 2.73 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 93 G 8.49 4.03 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 0.00 0.00 0.00 94 V 7.88 4.57 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 0.93 0.00 0.00 0.97 0.00 0.00 95 A 8.95 5.22 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 96 D 8.58 4.75 0.00 2.55 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 97 V 8.93 4.14 1.98 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 0.75 0.00 0.00 0.59 0.00 0.00 98 S 8.38 4.67 0.00 3.91 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 99 I 9.50 4.89 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 1.02 0.00 0.00 100 E 8.80 5.15 0.00 1.96 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 2.32 0.00 101 D 9.31 4.86 0.00 2.79 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 0.00 102 S 9.00 4.56 0.00 3.92 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 0.00 103 V 8.02 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 8.12 4.09 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 1.02 0.00 0.00 105 S 8.72 4.66 0.00 3.89 3.76 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 0.00 106 L 8.77 4.77 0.00 1.89 1.62 1.00 0.67 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 0.00 107 S 8.11 4.41 0.00 3.95 3.78 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 0.00 108 G 8.40 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 0.00 109 D 8.56 4.47 0.00 2.68 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 0.00 110 H 8.16 5.03 0.00 3.24 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.26 5.15 0.00 3.91 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 0.00 112 I 8.01 3.73 1.54 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 1.37 0.05 0.90 0.00 0.00 113 I 7.17 3.69 1.76 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 1.09 0.82 0.83 0.00 0.00 114 G 9.34 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 0.00 115 R 7.33 4.85 0.00 1.59 1.79 0.00 2.21 0.00 0.00 2.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.00 116 T 8.05 4.95 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 1.22 0.00 0.00 117 L 8.66 4.79 0.00 1.76 1.51 0.29 0.90 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 0.00 118 V 8.73 4.99 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 0.69 0.00 0.00 0.76 0.00 0.00 119 V 8.69 5.04 2.32 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 0.81 0.00 0.00 0.97 0.00 0.00 120 H 9.09 5.22 0.00 3.08 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.22 4.18 0.00 2.12 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 2.36 2.34 0.00 122 K 8.54 4.70 0.00 1.70 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.28 4.54 1.23 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 0.00 0.00 0.00 124 D 9.27 4.68 0.00 2.72 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 0.00 125 D 8.82 4.52 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.45 3.79 0.00 1.78 1.79 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.12 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 0.00 0.00 0.00 0.00 128 K 7.91 4.65 0.00 1.81 1.76 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 129 G 8.12 3.70 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 0.00 0.00 0.00 130 G 9.59 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 0.00 131 N 7.56 4.79 0.00 2.62 2.74 0.00 0.00 7.03 7.96 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 *140 A 7.34 4.37 1.24 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 0.00 0.00 141 G 8.02 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 0.00 142 S 8.53 4.37 0.00 3.94 4.04 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 0.00 143 R 8.38 4.42 0.00 1.69 1.87 0.00 3.19 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 144 L 8.86 4.28 0.00 1.71 1.71 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.79 4.77 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 0.00 146 C 8.21 5.70 0.00 3.02 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 0.00 147 G 8.01 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 0.00 148 V 8.52 4.18 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 0.76 0.00 0.00 0.96 0.00 0.00 149 I 8.77 4.23 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.35 0.33 0.00 0.00 150 G 8.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.33 4.47 1.86 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 1.24 0.54 0.91 0.00 0.00 152 A 8.52 4.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.54 4.09 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.