NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7298 8.1633 120.2779 55.3077 34.2251 173.9639 2 K 4.8303 8.8572 120.2111 53.8436 37.1733 173.3665 3 K 4.9298 9.8136 126.1789 55.0799 34.7129 174.7075 4 I 4.8001 8.9615 128.7263 59.8027 39.5346 174.2364 5 E 5.1645 9.5117 127.6889 54.5180 31.8927 175.0093 6 A 5.0358 9.1569 126.6283 50.0856 22.4295 174.5705 7 I 4.9460 8.8084 123.8190 59.6793 39.3758 175.1042 8 I 4.9186 8.6458 119.7329 58.5773 41.9471 174.9961 9 R 4.2754 8.3889 121.2956 55.6628 30.7285 176.3746 10 P 4.3125 0.0000 0.0000 65.6827 31.1214 178.6234 11 F 4.5033 8.2485 111.3273 58.6985 38.4103 176.5723 12 K 3.8592 7.5188 118.4467 56.5803 31.9142 178.1607 13 L 3.8955 7.5811 122.1849 58.1163 41.9495 178.3408 14 D 4.2643 7.9591 117.2930 57.4866 41.2773 177.7473 15 E 3.9208 8.1114 118.5660 59.4513 29.3879 179.4469 16 V 3.5092 7.8034 118.0968 65.7227 31.5687 177.8200 17 K 3.8541 8.3274 119.7417 59.6944 31.9581 178.8149 18 I 3.6647 7.9298 119.6737 64.2336 37.1802 178.0290 19 A 3.9831 8.0819 121.7448 55.3495 18.1290 179.7082 20 L 3.9090 8.1739 117.4913 57.9844 41.7545 179.9073 21 V 3.5759 7.9030 118.1676 66.2159 31.2436 177.8532 22 N 4.4257 8.4262 115.0268 55.5578 38.4174 176.2494 23 A 4.4256 7.5370 119.7321 52.0212 18.9198 177.8118 24 G 3.9129 7.8934 106.1046 45.2809 0.0000 174.0265 25 I 4.0155 7.6291 120.5817 61.1274 37.6772 176.7255 26 V 4.5054 8.3583 118.4925 59.8248 32.5065 176.2520 27 G 4.4224 7.7933 110.8061 45.6231 0.0000 172.4128 28 M 4.9050 8.1540 120.1347 54.7248 34.0776 174.0113 29 T 4.7239 8.9150 116.8715 61.8316 72.2764 173.2029 30 V 5.1069 8.4520 124.8800 61.2749 34.7963 174.4025 31 S 4.7520 8.8494 119.8360 56.7861 67.0292 172.1881 32 E 4.7806 8.6678 121.8906 55.8597 30.5862 175.5096 33 V 4.6754 8.8792 118.9467 59.8972 36.8483 174.0653 34 R 5.1798 8.4156 119.2567 54.9905 33.2120 175.5097 35 G 4.5293 9.3407 109.3425 45.8209 0.0000 171.3538 36 F 5.3216 8.0808 113.7190 54.7118 40.9887 175.5634 37 G 4.2349 8.6339 108.2599 45.2818 0.0000 176.1259 38 R 3.9657 8.9734 120.6828 59.3708 30.3104 177.2250 39 Q 4.3625 8.1902 114.4988 55.0095 28.9279 175.8617 40 K 3.5626 9.3107 116.7234 57.3681 30.1639 176.8524 41 G 4.2833 8.4666 103.4674 46.6853 0.0000 173.6755 42 Q 4.5068 7.9162 119.1720 54.3823 29.7690 175.9059 43 T 4.2683 7.8431 113.0331 62.7498 69.7565 175.4319 44 E 4.2047 7.7844 121.6637 57.3442 31.2704 174.5705 45 R 4.2612 8.2486 118.0125 55.5262 26.7023 178.5095 *50 E 4.0565 8.9251 130.0952 57.9533 28.9715 174.0992 *51 Y 4.6179 7.7472 121.6011 54.6212 38.1972 172.9778 52 T 4.4097 7.6164 114.4577 58.9537 68.6809 173.9734 53 V 3.6493 7.7002 128.3185 61.9294 32.6027 176.0874 54 E 4.7347 8.4501 123.2060 54.3987 33.3014 174.8879 55 F 5.3351 8.8676 120.3741 56.4503 40.8938 175.2110 56 L 4.9920 8.7772 121.3803 52.5497 45.5215 175.6704 57 Q 4.5585 8.7566 123.0232 56.5306 29.5288 175.3376 58 K 4.8617 9.1875 124.8140 54.7124 37.1879 174.7924 59 L 5.0938 8.7145 121.0332 52.9932 44.7071 175.6300 60 K 4.8656 9.1681 124.6972 54.8144 34.3450 174.5997 61 L 5.1723 9.1534 128.1169 53.2622 44.1295 175.3902 62 E 5.2047 9.5768 122.6055 54.6620 33.2006 175.0574 63 I 4.7923 8.8899 124.6857 59.6374 41.4531 174.2001 64 V 4.8007 8.4824 126.8895 61.6197 32.9614 175.1147 65 V 4.6363 8.5206 119.4810 59.6445 36.3369 174.5409 66 E 4.4542 8.9229 121.3100 56.1406 30.4630 177.9868 67 D 4.3378 8.8452 120.0064 57.7932 40.8687 178.9133 68 A 4.2220 7.9421 118.8401 53.7961 18.7441 178.1441 69 Q 4.3991 8.0984 114.5000 55.9529 29.2654 177.8489 70 V 3.5261 7.5677 120.3928 66.1626 31.5844 177.3086 71 D 4.3872 8.1321 118.0275 57.8118 40.6539 178.8809 72 T 3.8354 7.8757 115.4350 66.7004 68.4736 176.5491 73 V 3.5664 7.7074 119.9408 66.0433 31.4701 178.1641 74 I 3.6543 7.8274 119.3981 64.4676 37.0005 177.8144 75 D 4.3779 8.3345 120.1627 57.7557 40.7155 179.4806 76 K 4.0449 8.0542 118.4700 59.1539 32.1350 179.5202 77 I 3.6530 7.8967 120.3001 64.3763 36.9648 178.5722 78 V 3.5448 7.9783 118.9186 66.0340 31.1226 177.9854 79 A 3.9931 7.9173 119.1809 54.7562 18.2426 178.9696 80 A 4.1190 7.8530 118.2540 54.5121 19.0613 179.0121 81 A 4.0891 8.2555 118.0637 52.6936 19.4603 178.0689 82 R 4.1270 7.2817 118.1469 56.7204 30.5531 176.2135 83 T 4.4618 9.6556 113.9125 60.8825 70.4456 175.1015 84 G 3.9933 8.9488 109.6520 44.9859 0.0000 172.7634 85 E 4.7614 7.7348 119.4274 53.6514 32.1305 175.6210 86 I 3.7884 8.1452 115.0357 62.9352 37.7617 176.2214 87 G 4.0764 8.8817 110.3485 45.4173 0.0000 174.1756 88 D 4.3015 7.3525 119.9776 56.3550 40.9402 175.1965 89 G 4.2547 7.3575 102.1516 44.3870 0.0000 172.2170 90 K 4.4850 8.1629 118.5504 54.6803 35.8835 174.9650 91 I 4.7464 7.8106 125.3390 59.3394 40.3763 174.7533 92 F 5.0665 9.3456 124.9344 55.6381 42.1676 174.1669 93 V 5.0445 8.6555 123.2395 61.1579 33.4750 174.6976 94 S 4.9404 9.0608 121.6183 55.5846 66.8073 171.6141 95 P 4.6494 0.0000 0.0000 63.0398 32.0323 175.5528 96 V 4.2988 8.0816 122.1092 61.4047 32.8072 175.2792 97 D 4.5192 8.9745 128.4226 57.1163 41.1740 176.5806 98 Q 4.7776 7.5307 116.7324 55.0154 32.2077 173.0915 99 T 4.7999 9.1716 120.3052 61.8630 72.5740 172.9827 100 I 5.0483 8.2015 125.0400 59.5137 41.1815 174.6897 101 R 4.1770 8.9143 128.0132 55.6760 30.9541 177.3196 102 I 3.7402 8.5795 127.7744 64.4454 37.6421 178.2535 103 R 3.8448 8.1962 119.4440 58.8914 29.9105 176.9375 104 T 4.3217 7.2075 102.8644 60.5150 70.1302 175.3283 105 G 3.9050 8.2890 109.6556 45.7348 0.0000 173.8108 106 E 4.1739 7.8575 119.1084 56.1276 30.1692 176.1613 107 K 5.1230 8.1716 119.4916 55.6541 36.6995 178.0598 108 N 3.9614 8.9146 119.6618 53.8425 39.0655 176.2268 109 A 4.2836 8.9212 129.3950 55.9500 17.9342 179.4652 110 D 4.3620 7.9866 116.6714 56.9314 40.6637 178.0948 111 A 4.2386 7.8191 119.2713 53.1251 18.8368 177.6913 112 I 4.2000 7.2604 116.1947 61.3426 38.6299 176.3006 113 S 4.3491 7.3232 115.6015 57.4472 63.3954 173.3331 114 A 4.2858 8.2404 127.5857 51.4593 19.2572 178.4620 *115 W 4.3229 8.5840 118.6235 57.1056 28.1843 173.5622 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 4.73 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.86 4.83 0.00 1.61 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 3 K 9.81 4.93 0.00 1.82 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 I 8.96 4.80 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.91 0.00 0.00 5 E 9.51 5.16 0.00 2.08 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 2.28 2.30 0.00 6 A 9.16 5.04 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 7 I 8.81 4.95 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.00 0.00 0.00 8 I 8.65 4.92 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.85 0.00 0.00 9 R 8.39 4.28 0.00 1.76 2.04 0.00 3.26 0.00 0.00 3.64 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 10 P 0.00 4.31 0.00 2.24 2.16 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 11 F 8.25 4.50 0.00 3.20 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 12 K 7.52 3.86 0.00 1.65 1.61 0.00 1.59 0.00 0.00 0.99 0.00 0.00 2.58 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.58 3.90 0.00 1.74 1.65 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.96 4.26 0.00 2.83 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 15 E 8.11 3.92 0.00 1.97 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 2.39 2.36 0.00 16 V 7.80 3.51 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 1.05 0.00 0.00 0.89 0.00 0.00 17 K 8.33 3.85 0.00 1.93 1.98 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 I 7.93 3.66 1.86 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 1.45 0.62 0.91 0.00 0.00 19 A 8.08 3.98 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 20 L 8.17 3.91 0.00 1.67 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 22 N 8.43 4.43 0.00 2.70 2.86 0.00 0.00 7.02 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.54 4.43 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 24 G 7.89 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 25 I 7.63 4.02 1.92 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 1.29 0.45 0.93 0.00 0.00 26 V 8.36 4.51 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 0.72 0.00 0.00 0.98 0.00 0.00 27 G 7.79 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 28 M 8.15 4.91 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 29 T 8.91 4.72 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 30 V 8.45 5.11 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 0.89 0.00 0.00 0.93 0.00 0.00 31 S 8.85 4.75 0.00 3.89 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 32 E 8.67 4.78 0.00 2.01 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 2.27 2.35 0.00 33 V 8.88 4.68 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 0.68 0.00 0.00 0.96 0.00 0.00 34 R 8.42 5.18 0.00 1.47 1.82 0.00 3.48 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 35 G 9.34 4.53 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 0.00 0.00 0.00 36 F 8.08 5.32 0.00 2.94 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 37 G 8.63 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 0.00 0.00 0.00 0.00 38 R 8.97 3.97 0.00 1.84 2.05 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 39 Q 8.19 4.36 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.33 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 K 9.31 3.56 0.00 1.83 1.52 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.32 7.81 41 G 8.47 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 0.00 0.00 0.00 0.00 42 Q 7.92 4.51 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 43 T 7.84 4.27 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 1.23 0.00 0.00 44 E 7.78 4.20 0.00 1.95 1.92 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 2.31 2.39 0.00 45 R 8.25 4.26 0.00 1.84 1.28 0.00 3.28 0.00 0.00 3.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 *50 E 8.93 4.06 0.00 1.93 1.92 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 2.16 2.29 0.00 *51 Y 7.75 4.62 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.62 4.41 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 1.18 0.00 0.00 53 V 7.70 3.65 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 0.44 0.00 0.00 -0.51 0.00 0.00 54 E 8.45 4.73 0.00 1.84 1.84 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 2.19 2.33 0.00 55 F 8.87 5.34 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.78 4.99 0.00 1.66 1.60 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.76 4.56 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 58 K 9.19 4.86 0.00 1.71 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.59 7.81 59 L 8.71 5.09 0.00 1.57 1.54 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.17 4.87 0.00 1.79 1.67 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 61 L 9.15 5.17 0.00 1.80 1.54 0.90 0.63 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 62 E 9.58 5.20 0.00 1.84 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 2.23 2.26 0.00 63 I 8.89 4.79 1.87 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 1.11 0.52 0.96 0.00 0.00 64 V 8.48 4.80 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 0.84 0.00 0.00 0.93 0.00 0.00 65 V 8.52 4.64 2.20 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 0.63 0.00 0.00 0.93 0.00 0.00 66 E 8.92 4.45 0.00 1.99 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 2.63 2.27 0.00 67 D 8.85 4.34 0.00 2.78 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 68 A 7.94 4.22 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 69 Q 8.10 4.40 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 70 V 7.57 3.53 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 1.03 0.00 0.00 0.99 0.00 0.00 71 D 8.13 4.39 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.88 3.84 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 1.20 0.00 0.00 73 V 7.71 3.57 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 1.09 0.00 0.00 0.99 0.00 0.00 74 I 7.83 3.65 1.98 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 1.49 0.52 0.88 0.00 0.00 75 D 8.33 4.38 0.00 2.85 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 76 K 8.05 4.04 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.60 7.81 77 I 7.90 3.65 1.83 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 1.37 0.58 0.85 0.00 0.00 78 V 7.98 3.54 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 0.98 0.00 0.00 0.90 0.00 0.00 79 A 7.92 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.85 4.12 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 81 A 8.26 4.09 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 82 R 7.28 4.13 0.00 1.83 1.85 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 83 T 9.66 4.46 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 1.37 0.00 0.00 84 G 8.95 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 85 E 7.73 4.76 0.00 1.99 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 2.25 2.37 0.00 86 I 8.15 3.79 1.89 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 1.36 0.54 0.92 0.00 0.00 87 G 8.88 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 88 D 7.35 4.30 0.00 2.51 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 89 G 7.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.16 4.48 0.00 1.63 1.20 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.40 1.13 7.81 91 I 7.81 4.75 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.89 0.00 0.00 92 F 9.35 5.07 0.00 2.88 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 93 V 8.66 5.04 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 9.06 4.94 0.00 3.87 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 95 P 0.00 4.65 0.00 2.10 2.10 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.08 4.30 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 0.81 0.00 0.00 0.96 0.00 0.00 97 D 8.97 4.52 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.53 4.78 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 99 T 9.17 4.80 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 0.00 100 I 8.20 5.05 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 1.23 0.47 0.91 0.00 0.00 101 R 8.91 4.18 0.00 1.88 1.80 0.00 3.24 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 102 I 8.58 3.74 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 1.30 0.68 0.91 0.00 0.00 103 R 8.20 3.84 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.21 4.32 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 0.00 105 G 8.29 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 0.00 106 E 7.86 4.17 0.00 2.08 1.88 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 2.33 2.28 0.00 107 K 8.17 5.12 0.00 1.73 1.66 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.35 7.81 108 N 8.91 3.96 0.00 2.80 1.95 0.00 0.00 6.99 7.32 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 0.00 109 A 8.92 4.28 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 0.00 110 D 7.99 4.36 0.00 2.78 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 0.00 111 A 7.82 4.24 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 0.00 112 I 7.26 4.20 2.07 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 1.43 0.94 0.93 0.00 0.00 113 S 7.32 4.35 0.00 4.14 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 0.00 114 A 8.24 4.29 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 *115 W 8.58 4.32 0.00 2.53 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.