NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6374 8.3649 120.5307 54.4154 42.6909 176.2905 4 T 3.9801 7.8457 117.7266 64.8931 68.6165 175.2708 5 L 4.0065 8.1427 121.7705 57.3417 42.7370 178.7380 6 K 4.0624 8.0422 118.6626 57.9827 32.4058 176.8116 7 N 4.7392 7.8181 113.8478 52.9440 38.7389 175.0749 8 I 3.9550 7.8511 121.8815 60.9178 37.9504 174.9135 9 K 4.8975 8.3850 124.7699 54.3041 34.3330 177.3449 10 V 3.5518 8.8516 124.4180 66.0673 31.5226 178.2466 11 K 3.8671 7.9642 117.2484 60.1675 32.1738 177.7692 12 D 4.4464 8.3518 118.7600 56.3701 41.3719 177.0095 13 V 4.3519 7.4402 110.7251 60.1493 31.8714 175.9181 *15 T 4.1014 7.3941 116.2295 63.6559 70.2017 175.3093 16 K 4.0645 8.7601 125.4299 58.6651 33.3757 177.7514 17 N 4.6765 7.7018 116.8028 51.7447 37.0259 174.8229 18 V 3.8662 7.2979 118.8402 60.9813 33.0510 177.1893 19 I 3.9473 8.0946 124.3252 61.2903 37.7371 174.8855 20 T 4.9577 8.1593 112.7623 59.8913 72.3729 172.0158 21 A 5.0398 8.9234 122.2728 50.1658 23.2300 175.0172 22 K 4.9255 8.4682 117.8320 54.2240 35.4795 177.9268 23 R 3.8511 8.7315 119.4855 59.8669 29.0652 177.5618 24 H 4.7028 7.9129 111.7953 55.1809 29.3047 174.8821 25 E 4.0537 8.2683 122.7846 55.4927 30.1685 176.3821 26 G 3.9553 9.2840 113.5511 44.9598 0.0000 175.1435 27 V 3.5288 8.1304 124.9221 64.5983 31.4752 179.1208 28 V 3.6294 7.6162 118.9103 65.6382 31.5393 177.7142 29 E 4.0164 8.2137 116.6307 59.2549 29.2193 178.8211 30 A 4.0195 8.2182 121.5987 54.7788 18.5134 178.8392 31 F 4.3452 8.4866 118.6481 61.9340 39.7909 176.9638 32 E 4.0077 8.7192 118.2379 58.9963 29.1637 179.4971 33 K 4.2635 8.0325 118.2678 56.8049 32.1472 178.5295 *35 L 4.0891 7.9150 119.2548 54.0525 43.5009 179.2157 36 K 3.7002 7.8923 118.4181 58.7836 32.0813 176.8615 37 Y 4.5617 7.5549 113.1873 56.6944 38.6416 175.7330 38 K 3.8380 7.6936 117.8583 57.9004 29.9823 175.0159 39 I 4.6542 7.4711 109.7515 59.1743 40.8293 175.6543 40 S 4.8131 8.6857 114.8633 57.5991 64.5182 172.9146 41 S 4.9577 7.8222 113.7141 58.1053 66.3108 174.3988 42 L 4.3833 9.0053 122.6850 53.3099 43.9642 172.1676 43 P 4.6555 0.0000 0.0000 62.9280 32.7833 175.1271 44 V 4.7910 9.0682 124.3300 61.3237 33.2429 174.5968 45 I 5.2444 8.3798 121.0713 59.1437 40.7399 175.2908 46 D 4.7280 8.6283 123.8074 52.2620 41.1361 176.8191 47 D 4.4267 8.5642 117.8161 56.9448 40.7761 177.1079 48 E 4.4674 8.1445 117.3519 56.0084 30.1592 175.5689 49 N 4.1721 7.9767 114.4359 54.1346 38.3788 173.3264 50 K 4.5896 8.6635 117.9211 55.0590 33.2463 175.9026 51 V 4.3091 8.2007 124.6593 62.6830 31.7419 175.4767 52 I 4.2286 8.6173 128.7339 62.1614 39.0226 175.5438 53 G 4.0528 7.4780 106.3002 46.5812 0.0000 171.7458 54 I 5.1527 8.3313 118.2872 59.8212 41.0710 174.9568 55 V 4.8364 8.6574 120.4754 59.8128 36.0315 174.5828 56 T 5.1892 8.2489 111.2397 59.4666 72.0326 175.0363 57 T 4.2374 8.7670 114.1907 65.3249 68.7232 176.9261 58 T 4.0357 7.9957 118.0650 66.6692 68.5785 176.1320 59 D 4.4327 8.2007 120.4955 57.5154 40.8910 178.9368 60 I 4.0155 8.0517 120.4382 64.3123 37.1381 178.5073 61 G 3.5031 8.6796 106.9386 47.9798 0.0000 174.8618 62 Y 4.1928 8.0328 122.0495 60.6965 38.9667 178.1480 63 N 3.9919 8.2086 116.9331 55.3622 38.4701 177.4021 64 L 3.8954 7.8070 122.5008 58.1565 42.1128 178.7952 65 I 3.7106 7.4454 116.9424 63.5851 37.9136 177.0149 66 R 4.2256 7.1017 115.4802 54.5781 30.9121 175.8623 67 D 4.2324 7.5946 118.4780 55.0164 37.9056 173.5954 68 K 4.4896 8.0818 113.8776 56.1916 35.2955 175.8053 69 Y 5.0448 7.6330 116.1156 56.4097 41.5010 175.0303 70 T 4.5551 7.9454 112.7065 59.5519 71.1238 175.2899 71 L 4.1258 8.2805 122.4960 57.5906 42.2936 177.9444 72 E 4.0477 8.2673 118.3740 59.4932 29.9340 177.4068 73 T 3.7527 7.4634 108.0517 62.5088 68.8158 174.1637 74 T 4.8285 7.8781 115.4391 59.9798 70.9047 174.9533 75 I 3.7582 8.6780 122.3612 64.6571 37.2601 178.8448 76 G 3.9223 8.4000 108.2792 48.9548 0.0000 174.6661 77 D 4.5200 7.5900 117.5639 55.9529 40.9967 177.3440 78 V 4.3573 7.3734 113.0385 60.8800 32.1813 175.6268 *80 T 4.0603 7.7157 112.4282 62.0083 68.1150 172.9749 81 K 4.2989 8.6150 127.0193 57.1635 32.4508 176.4575 82 D 4.9327 7.5210 116.0884 54.3939 41.1241 176.7188 83 V 3.6608 7.7576 118.1173 62.3283 31.4644 175.2431 84 I 4.4397 8.2525 122.2076 59.7480 39.2391 174.7840 85 T 4.9247 8.3355 114.4526 59.7749 72.1787 172.5251 86 I 4.7333 8.2876 120.0618 59.3985 42.0597 173.7368 87 H 5.1439 8.7525 126.9963 55.5913 30.8437 176.1125 88 E 4.0234 8.6106 122.0359 59.0372 29.6708 178.4703 89 D 4.3633 7.5422 117.3492 55.3566 41.6189 176.2559 90 A 4.1880 7.5547 122.5641 52.1156 19.1863 176.6819 91 S 5.0287 8.1535 114.3973 57.1849 66.1941 175.2749 92 I 3.6902 8.0625 123.4522 64.5890 36.8907 178.6098 93 L 3.9859 7.6121 119.1627 58.1633 41.5261 179.6141 94 E 4.0142 8.2139 117.8262 58.9973 29.0901 179.3124 95 A 3.9748 7.8278 120.2469 55.3151 18.6026 179.2431 96 I 3.7915 7.8876 117.2537 64.6785 37.5965 178.5706 97 K 4.2100 8.0012 118.8944 58.9689 31.6506 179.8602 98 K 4.0932 7.7640 116.7931 57.0438 32.0754 177.0231 *100 D 4.6325 8.1131 119.0220 53.4492 42.8162 176.3028 101 I 3.5656 7.4858 111.8963 63.3393 37.3619 175.8667 *109 I 3.8661 7.5423 113.0975 60.9358 38.0468 174.7399 110 N 5.0948 8.6020 121.9374 53.5213 40.0332 174.7050 111 Q 5.0988 7.9204 116.7510 53.9239 33.0227 174.3883 112 L 4.7935 9.0264 122.6677 52.2062 44.9629 174.2868 113 P 4.6454 0.0000 0.0000 62.5095 32.8250 175.2516 114 V 4.7590 9.0879 124.6772 61.5515 33.5540 175.0370 115 V 5.0190 8.8322 121.0398 59.7307 34.9536 176.0463 116 D 5.0229 8.5656 122.9461 52.6175 41.5458 176.8019 117 K 4.1422 8.7256 118.4154 59.3060 32.7704 178.0835 118 N 4.8167 8.5978 116.0764 52.9793 38.7014 175.7102 119 N 4.2275 7.7552 112.0095 53.7108 37.2531 174.6431 120 K 4.4671 7.5451 117.8175 55.2548 33.1127 176.1266 121 L 4.5505 8.1248 125.1103 55.0219 42.4889 177.0836 122 V 4.3384 8.5787 123.7771 61.0323 33.3552 175.3251 123 G 3.9601 6.9786 106.2195 45.6073 0.0000 170.9227 124 I 4.9807 8.4118 119.5422 59.4904 40.8448 175.0405 125 I 4.6036 8.8508 127.6547 59.4682 39.9999 174.8303 126 S 5.1094 9.0482 123.8685 56.5612 65.9378 174.8869 127 D 4.4860 8.8914 120.3315 57.6494 40.3878 179.6034 128 G 3.6499 8.0838 105.3769 47.9879 0.0000 175.0250 129 D 4.3913 8.2534 121.6377 57.2843 40.8562 179.2423 130 I 3.7436 7.5798 119.6863 64.2497 37.0106 178.4327 131 I 3.6390 7.9078 120.7591 64.5800 37.1409 178.0888 132 R 3.8565 8.1725 119.5732 60.2828 29.5079 178.4984 133 T 3.9835 7.5357 113.8839 66.5375 68.7039 176.7161 134 I 3.9042 7.8726 121.9432 64.1598 36.8916 178.2530 135 S 4.1438 8.1781 113.7441 61.2637 62.2904 175.8632 136 K 4.1934 7.8549 118.4089 57.7074 31.8913 177.6424 137 I 4.1744 7.8308 125.9359 61.3220 37.4297 175.0846 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 3 D 8.36 4.64 0.00 2.68 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 4 T 7.85 3.98 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 1.31 0.00 0.00 5 L 8.14 4.01 0.00 1.70 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.04 4.06 0.00 1.71 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 N 7.82 4.74 0.00 2.84 2.91 0.00 0.00 6.07 7.81 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 8 I 7.85 3.95 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 1.53 1.01 0.91 0.00 0.00 9 K 8.38 4.90 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.34 7.81 10 V 8.85 3.55 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 0.96 0.00 0.00 0.93 0.00 0.00 11 K 7.96 3.87 0.00 1.88 1.98 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.43 7.81 12 D 8.35 4.45 0.00 2.82 2.77 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 13 V 7.44 4.35 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 0.71 0.00 0.00 0.98 0.00 0.00 *15 T 7.39 4.10 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 1.20 0.00 0.00 16 K 8.76 4.06 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 17 N 7.70 4.68 0.00 2.68 2.75 0.00 0.00 6.93 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 18 V 7.30 3.87 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 0.75 0.00 0.00 0.92 0.00 0.00 19 I 8.09 3.95 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 0.80 0.00 0.00 20 T 8.16 4.96 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 1.19 0.00 0.00 21 A 8.92 5.04 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 22 K 8.47 4.93 0.00 1.58 1.63 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 23 R 8.73 3.85 0.00 1.99 2.23 0.00 2.93 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 24 H 7.91 4.70 0.00 3.13 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.27 4.05 0.00 2.12 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 2.31 2.27 0.00 26 G 9.28 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.13 3.53 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 0.33 0.00 0.00 0.48 0.00 0.00 28 V 7.62 3.63 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 1.24 0.00 0.00 0.94 0.00 0.00 29 E 8.21 4.02 0.00 2.26 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 0.00 2.49 2.40 0.00 30 A 8.22 4.02 1.43 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 0.00 0.00 0.00 31 F 8.49 4.35 0.00 3.04 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.72 4.01 0.00 2.06 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 0.00 2.42 2.69 0.00 33 K 8.03 4.26 0.00 1.97 1.98 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.76 7.81 *35 L 7.91 4.09 0.00 1.71 1.55 0.65 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.89 3.70 0.00 1.66 1.46 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.51 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.71 1.11 7.81 37 Y 7.55 4.56 0.00 2.99 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 38 K 7.69 3.84 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.34 7.81 39 I 7.47 4.65 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 1.53 0.70 0.99 0.00 0.00 40 S 8.69 4.81 0.00 3.92 4.12 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 41 S 7.82 4.96 0.00 3.98 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 42 L 9.01 4.38 0.00 1.77 1.56 0.96 1.37 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 43 P 0.00 4.66 0.00 2.10 1.97 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 44 V 9.07 4.79 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 0.97 0.00 0.00 0.99 0.00 0.00 45 I 8.38 5.24 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 1.38 0.83 0.90 0.00 0.00 46 D 8.63 4.73 0.00 2.91 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 47 D 8.56 4.43 0.00 2.66 2.77 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 48 E 8.14 4.47 0.00 1.94 1.94 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 2.23 2.21 0.00 49 N 7.98 4.17 0.00 2.89 2.84 0.00 0.00 6.85 7.18 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 50 K 8.66 4.59 0.00 1.77 2.06 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 51 V 8.20 4.31 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 0.90 0.00 0.00 0.93 0.00 0.00 52 I 8.62 4.23 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 1.32 1.00 0.91 0.00 0.00 53 G 7.48 4.05 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 0.00 0.00 0.00 54 I 8.33 5.15 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 1.36 0.78 0.93 0.00 0.00 55 V 8.66 4.84 2.12 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 0.72 0.00 0.00 0.97 0.00 0.00 56 T 8.25 5.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 T 8.77 4.24 4.44 0.00 0.00 0.00 0.00 0.00 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 58 T 8.00 4.04 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 1.22 0.00 0.00 59 D 8.20 4.43 0.00 2.86 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 60 I 8.05 4.02 2.03 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 1.80 1.05 0.85 0.00 0.00 61 G 8.68 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.03 4.19 0.00 3.14 3.19 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 63 N 8.21 3.99 0.00 2.43 1.95 0.00 0.00 6.75 6.59 0.00 0.00 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 L 7.81 3.90 0.00 1.82 1.49 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.45 3.71 1.95 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 1.52 0.78 0.86 0.00 0.00 66 R 7.10 4.23 0.00 1.58 1.65 0.00 3.10 0.00 0.00 2.70 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 67 D 7.59 4.23 0.00 2.71 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 68 K 8.08 4.49 0.00 1.42 1.33 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.65 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.18 1.22 7.81 69 Y 7.63 5.04 0.00 2.86 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 70 T 7.95 4.56 4.26 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 1.24 0.00 0.00 71 L 8.28 4.13 0.00 1.62 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.27 4.05 0.00 2.00 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 0.00 2.34 2.25 0.00 73 T 7.46 3.75 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 1.26 0.00 0.00 74 T 7.88 4.83 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 1.30 0.00 0.00 75 I 8.68 3.76 1.93 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 1.51 0.98 0.91 0.00 0.00 76 G 8.40 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 77 D 7.59 4.52 0.00 2.95 2.77 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 78 V 7.37 4.36 2.19 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 0.62 0.00 0.00 0.95 0.00 0.00 *80 T 7.72 4.06 4.26 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 1.23 0.00 0.00 81 K 8.62 4.30 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 82 D 7.52 4.93 0.00 2.70 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 83 V 7.76 3.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 84 I 8.25 4.44 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 1.47 0.68 0.92 0.00 0.00 85 T 8.34 4.92 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 1.22 0.00 0.00 86 I 8.29 4.73 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 1.13 1.59 0.92 0.00 0.00 87 H 8.75 5.14 0.00 3.26 3.14 0.00 5.74 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 88 E 8.61 4.02 0.00 2.17 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 0.00 2.17 2.14 0.00 89 D 7.54 4.36 0.00 2.56 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 90 A 7.55 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.15 5.03 0.00 4.27 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 92 I 8.06 3.69 2.01 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 1.52 0.81 0.91 0.00 0.00 93 L 7.61 3.99 0.00 1.70 1.73 0.92 0.82 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 94 E 8.21 4.01 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 95 A 7.83 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.89 3.79 2.00 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 1.52 0.74 0.91 0.00 0.00 97 K 8.00 4.21 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 98 K 7.76 4.09 0.00 1.97 1.80 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *100 D 8.11 4.63 0.00 2.68 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 0.00 101 I 7.49 3.57 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 1.50 0.59 0.98 0.00 0.00 *109 I 7.54 3.87 2.03 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 1.42 0.61 0.92 0.00 0.00 110 N 8.60 5.09 0.00 2.75 2.88 0.00 0.00 6.84 7.67 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 0.00 111 Q 7.92 5.10 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 112 L 9.03 4.79 0.00 1.50 1.54 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.65 0.00 2.07 1.97 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 114 V 9.09 4.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 115 V 8.83 5.02 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 0.85 0.00 0.00 1.00 0.00 0.00 116 D 8.57 5.02 0.00 2.89 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 0.00 117 K 8.73 4.14 0.00 1.83 1.93 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 118 N 8.60 4.82 0.00 2.88 2.78 0.00 0.00 6.85 6.43 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 0.00 119 N 7.76 4.23 0.00 2.92 2.94 0.00 0.00 6.86 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 0.00 120 K 7.55 4.47 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.51 7.81 121 L 8.12 4.55 0.00 1.62 1.56 1.01 0.71 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 0.00 122 V 8.58 4.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 123 G 6.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.41 4.98 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 0.71 0.91 0.00 0.00 125 I 8.85 4.60 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 1.28 0.92 0.95 0.00 0.00 126 S 9.05 5.11 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.89 4.49 0.00 2.80 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 0.00 128 G 8.08 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 0.00 129 D 8.25 4.39 0.00 2.88 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 0.00 130 I 7.58 3.74 2.00 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 1.52 0.73 0.91 0.00 0.00 131 I 7.91 3.64 2.00 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 1.56 0.99 0.91 0.00 0.00 132 R 8.17 3.86 0.00 1.98 2.16 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 133 T 7.54 3.98 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 134 I 7.87 3.90 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 1.41 0.77 0.91 0.00 0.00 135 S 8.18 4.14 0.00 3.94 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 0.00 136 K 7.85 4.19 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.59 7.81 137 I 7.83 4.17 1.98 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 1.38 0.65 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.