NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8343 8.2033 118.3889 59.9415 30.4642 175.6730 2 D 4.3380 8.0714 119.0406 56.1261 40.8249 176.7445 3 A 3.9900 8.8553 122.7108 54.7848 19.3771 177.9999 4 F 4.4973 7.9690 112.4961 58.6594 39.5303 176.4645 5 V 4.0064 7.4432 121.9766 61.7584 32.0057 176.3293 6 G 3.8232 7.5460 113.5915 44.7491 0.0000 170.7801 7 T 4.9599 7.5019 116.0760 61.6586 70.8319 174.2085 8 W 5.6015 9.0516 125.2600 54.7062 33.3536 174.3643 9 K 5.0963 9.1724 123.2399 54.6669 35.1149 175.2804 10 L 3.5069 8.3115 125.4309 55.3638 41.9833 176.5537 11 V 4.4031 8.1154 124.7418 63.8744 34.2832 175.5324 12 S 4.6750 7.3967 112.2442 57.2183 66.1582 173.4209 13 S 4.9622 8.3276 114.9643 56.9370 65.8101 173.0089 14 E 4.4632 8.6863 125.0364 55.5101 33.9926 175.2474 15 N 4.1735 9.1217 121.3370 54.7827 37.8251 175.5224 16 F 4.5897 8.1665 122.0914 60.4291 39.3563 176.5217 17 D 4.1182 8.1218 117.2789 57.2457 40.9558 177.8367 18 D 4.3332 8.0099 119.2062 57.2008 40.9228 177.9328 19 Y 4.0387 7.8316 119.6318 61.1321 38.8950 177.6868 20 M 3.7138 7.9757 122.0077 58.8439 31.5637 179.6956 *21 K 4.0063 7.6133 123.9702 59.7552 31.7233 181.8774 22 E 4.1227 7.6675 119.3009 58.8152 29.5609 178.7663 23 V 3.8626 7.2139 118.0381 65.1010 31.5468 176.4254 24 G 4.1428 7.1984 105.1134 45.1550 0.0000 173.9025 25 V 3.6430 7.7714 120.3020 62.1404 32.0937 176.9142 26 G 3.9164 8.4224 113.1627 44.1357 0.0000 174.3260 27 F 3.9735 8.7410 121.3376 61.3188 38.9918 177.0309 28 A 4.1551 8.2898 119.8035 55.4557 18.3374 179.6600 29 T 3.9103 7.8655 113.8024 66.9861 68.5557 176.9195 30 R 3.7333 8.0362 119.9783 58.9865 29.7025 179.4421 31 K 3.7839 7.2407 117.3054 59.5985 32.4297 179.6688 32 V 3.7906 7.4527 111.3796 63.9233 30.9345 178.5898 33 A 3.5554 7.6553 120.8261 54.6831 17.8732 179.8661 34 G 3.7409 7.6730 103.3635 47.5749 0.0000 175.0670 35 M 4.3217 7.3431 116.9699 55.9615 32.3234 177.9299 36 A 4.0968 7.4679 120.4706 54.4368 20.1091 177.5851 37 K 3.6851 7.8100 114.2171 56.8742 29.0817 173.1152 38 P 4.8798 0.0000 0.0000 62.4790 34.2671 176.0824 39 N 5.2732 8.8343 118.1459 51.9856 40.9011 173.7077 40 M 4.8402 9.1500 124.9965 54.4690 33.9435 174.6227 41 I 5.0124 8.8403 128.0495 59.8036 39.8568 174.6186 42 I 5.1355 8.8385 128.8140 59.5557 39.5757 175.1872 43 S 5.0386 9.0946 120.6497 56.6186 67.1163 172.9134 44 V 4.7151 8.2289 119.1124 61.1741 34.6339 174.3802 45 N 4.7575 8.9932 125.7069 52.2004 41.3606 175.2373 46 G 3.7578 8.2113 118.0817 47.0718 0.0000 172.8010 47 D 4.5638 8.9178 123.4766 52.7048 39.7340 175.0619 48 L 4.4960 7.7995 123.9255 53.7831 43.7174 175.1116 49 V 4.4020 7.9954 127.0703 61.6118 33.6533 174.5312 50 T 4.8748 8.6246 123.6124 61.7201 72.0845 172.8852 51 I 4.8420 8.8399 126.9847 59.7367 39.9341 174.4525 52 R 5.0192 9.0839 128.4760 54.5814 32.9672 174.7618 53 S 5.1061 8.9700 118.9556 56.6138 65.7856 172.2762 54 E 5.2374 9.0512 126.4230 53.8342 32.5582 175.3797 55 S 4.6743 8.2293 116.2811 58.2471 65.9244 175.4688 56 T 4.0015 8.7475 116.2342 66.4812 67.7764 175.5578 57 F 4.2455 7.7519 122.5352 60.2222 39.7526 174.1809 58 K 4.2328 8.2661 118.8680 54.9114 35.3427 174.7916 59 N 5.4016 8.5535 120.1914 51.9335 40.9547 173.8716 60 T 4.6110 8.4235 114.0871 60.1145 72.5221 173.0366 61 E 5.2281 8.4699 121.8755 55.1956 32.7082 173.9164 62 I 4.7487 8.6960 120.4927 59.2244 40.7206 174.5433 63 S 5.1437 8.4408 120.1309 56.7777 65.7739 173.1837 64 F 4.5437 8.2243 117.8090 55.7026 41.6144 172.9630 65 K 4.9550 8.4448 118.8464 54.2724 34.6896 176.1242 66 L 4.3782 8.6291 123.6946 56.7241 41.9248 177.7591 67 G 3.9042 9.2170 111.3262 45.6029 0.0000 173.0021 68 V 4.3489 7.4928 118.8040 60.2632 33.1696 174.9527 69 E 4.5607 8.8491 129.0410 56.4931 30.2294 175.6358 70 F 5.1651 8.9278 120.6125 55.2683 42.0184 173.2402 71 D 5.0582 8.8269 119.7275 54.1140 41.9877 175.6556 72 E 4.7106 8.8262 122.6322 54.7802 33.5642 173.9178 73 I 4.7467 8.4171 128.0004 59.9557 38.2455 175.8724 74 T 4.1249 8.4830 118.1475 60.7186 69.5856 175.4264 75 A 4.0402 8.5458 124.1625 54.7656 18.4437 177.9959 76 D 4.8030 8.0806 113.0537 53.1286 39.6544 175.9701 77 D 4.5001 7.8475 117.5688 55.8014 38.6740 174.2412 78 R 4.0347 7.5663 117.6707 55.5640 30.7952 175.6433 79 K 4.8049 8.4218 123.7205 55.5442 32.9695 175.7986 80 V 4.8179 8.6403 120.2183 59.5263 36.3480 174.5376 81 K 4.8464 8.9676 121.7230 54.9969 34.1055 175.9337 82 S 5.0111 8.4916 120.8851 56.4925 66.6621 172.9881 83 I 4.8435 8.2727 122.7272 59.3212 41.3287 173.7222 84 I 5.1354 8.5249 129.4896 59.7082 40.1429 174.6161 85 T 5.0080 8.8587 116.0516 59.7821 72.9321 172.2348 86 L 4.9590 8.3644 123.6082 53.5284 43.5281 175.6695 87 D 4.3019 9.1161 127.4328 54.1348 42.4416 174.7983 88 G 3.6644 9.2998 116.3459 46.6911 0.0000 173.6121 89 G 3.9438 8.6079 106.3669 44.9907 0.0000 173.8509 90 A 5.1663 7.4494 121.4897 49.9480 22.4058 176.1720 91 L 4.4182 8.3092 120.9415 54.3737 42.8690 176.2418 92 V 4.5001 8.6636 125.3403 61.0977 33.7460 173.9375 93 Q 4.9097 8.8458 129.8134 54.2965 31.5435 174.0143 94 V 4.7645 8.4969 126.5037 61.2870 34.0815 174.0033 95 Q 5.1069 9.0675 127.1338 54.1113 31.2500 174.6799 96 K 5.4427 8.8458 123.7438 54.4618 35.8615 175.3791 97 W 4.8083 9.0157 118.2633 56.3420 31.8778 174.3866 98 D 4.3211 9.8134 123.9065 55.4787 37.7108 174.8383 99 G 3.7419 8.2796 104.7710 45.6309 0.0000 173.9355 100 K 4.2154 6.9534 119.6680 54.8045 34.2552 174.7422 101 S 5.6736 7.5106 112.4124 58.7315 65.5909 173.4935 102 T 5.0578 8.7262 114.1097 61.0172 71.4612 172.1744 103 T 5.0468 8.9612 122.0136 61.8348 72.1206 173.2218 104 I 4.6581 9.1543 127.1888 59.4386 39.6727 174.0381 105 K 4.6924 8.9451 129.9673 55.1891 33.8198 175.3155 106 R 5.0967 9.1551 127.3775 54.3079 32.5194 175.2369 107 K 5.1892 8.9042 122.5834 55.2563 36.6233 175.4296 108 R 4.6660 8.3448 119.8433 55.5203 31.7738 176.8516 109 D 4.4304 9.0193 122.3133 54.0670 43.2532 176.0807 110 G 3.9104 8.1188 118.9395 46.7578 0.0000 171.8288 111 D 4.8502 8.8703 124.9912 53.1818 39.6232 175.8685 112 K 4.9515 7.7846 119.5020 54.9536 35.5248 174.9135 113 L 4.3250 8.4054 126.5329 53.9332 43.4240 175.4021 114 V 4.5889 8.8297 128.1778 61.4210 33.2783 174.4834 115 V 4.7917 8.6923 129.8967 61.3806 33.0932 174.1841 116 E 5.0510 9.0756 126.6929 54.7019 32.2570 174.5228 117 C 5.1026 8.5011 121.8179 57.7240 30.9288 173.0298 118 V 4.9877 8.8242 123.2514 61.4587 35.0206 174.3458 119 M 4.8767 9.0916 127.1324 53.7685 34.3736 174.8801 120 K 4.0595 9.3551 128.9439 57.5837 31.5062 175.4323 121 G 3.8909 8.2494 107.0257 45.6278 0.0000 172.3186 122 V 4.1925 7.7815 120.3454 61.5300 31.9460 174.1455 123 T 5.0625 8.4274 117.7296 60.0008 70.4875 173.5613 124 S 5.0804 8.6866 118.9558 56.8416 66.2728 172.5956 125 T 4.9823 8.6676 120.2967 61.8363 72.3130 173.0925 126 R 4.8351 9.0086 125.0409 54.3228 33.7012 174.4963 127 V 4.6812 8.1412 123.9126 61.5635 33.6593 174.2220 128 Y 5.4370 9.1899 125.0127 56.2227 41.8999 174.1565 129 E 5.3919 8.9579 118.0386 54.3512 34.0963 174.8786 130 R 3.9128 8.6398 118.8674 55.8244 30.4870 176.9336 131 A 4.1975 8.1447 125.3335 52.1314 17.9818 176.9968 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 C 8.20 4.83 0.00 3.07 3.13 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 2 D 8.07 4.34 0.00 2.86 2.75 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 0.00 0.00 0.00 3 A 8.86 3.99 1.03 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 4 F 7.97 4.50 0.00 3.30 3.13 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 5 V 7.44 4.01 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 0.81 0.00 0.00 1.07 0.00 0.00 6 G 7.55 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 7 T 7.50 4.96 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 1.20 0.00 0.00 8 W 9.05 5.60 0.00 3.29 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 9 K 9.17 5.10 0.00 1.86 1.97 0.00 1.34 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.42 7.81 10 L 8.31 3.51 0.00 1.59 1.48 0.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.12 4.40 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 0.82 0.00 0.00 0.94 0.00 0.00 12 S 7.40 4.67 0.00 3.83 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 13 S 8.33 4.96 0.00 3.64 3.63 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 14 E 8.69 4.46 0.00 1.92 1.78 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 2.20 2.22 0.00 15 N 9.12 4.17 0.00 3.00 3.05 0.00 0.00 6.84 7.71 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 16 F 8.17 4.59 0.00 3.07 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 17 D 8.12 4.12 0.00 2.78 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 18 D 8.01 4.33 0.00 3.04 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 19 Y 7.83 4.04 0.00 3.13 3.11 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 20 M 7.98 3.71 0.00 1.79 1.70 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.13 0.00 *21 K 7.61 4.01 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 22 E 7.67 4.12 0.00 2.01 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 2.32 2.34 0.00 23 V 7.21 3.86 1.91 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 0.72 0.00 0.00 0.24 0.00 0.00 24 G 7.20 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 25 V 7.77 3.64 2.03 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 0.68 0.00 0.00 0.90 0.00 0.00 26 G 8.42 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 F 8.74 3.97 0.00 3.16 3.02 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 0.00 0.00 0.00 0.00 28 A 8.29 4.16 1.44 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 0.00 0.00 0.00 29 T 7.87 3.91 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 30 R 8.04 3.73 0.00 1.83 1.91 0.00 3.04 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.75 0.00 31 K 7.24 3.78 0.00 1.73 1.79 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 32 V 7.45 3.79 2.21 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 1.00 0.00 0.00 1.19 0.00 0.00 33 A 7.66 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.67 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 0.00 0.00 0.00 35 M 7.34 4.32 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 36 A 7.47 4.10 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.81 3.69 0.00 1.91 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.38 7.81 38 P 0.00 4.88 0.00 2.25 2.30 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 39 N 8.83 5.27 0.00 2.77 2.84 0.00 0.00 6.95 7.55 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 40 M 9.15 4.84 0.00 1.87 1.55 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 41 I 8.84 5.01 1.91 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 1.25 0.68 0.93 0.00 0.00 42 I 8.84 5.14 2.31 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 1.35 0.82 1.01 0.00 0.00 43 S 9.09 5.04 0.00 3.81 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 44 V 8.23 4.72 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 0.82 0.00 0.00 0.91 0.00 0.00 45 N 8.99 4.76 0.00 2.66 2.58 0.00 0.00 6.82 7.62 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 46 G 8.21 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 0.00 0.00 0.00 47 D 8.92 4.56 0.00 2.77 2.75 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 0.00 0.00 0.00 48 L 7.80 4.50 0.00 1.70 1.60 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.00 4.40 0.67 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 0.75 0.00 0.00 0.71 0.00 0.00 50 T 8.62 4.87 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 1.22 0.00 0.00 51 I 8.84 4.84 2.03 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 1.19 1.21 0.93 0.00 0.00 52 R 9.08 5.02 0.00 1.87 1.78 0.00 3.04 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 53 S 8.97 5.11 0.00 3.94 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 54 E 9.05 5.24 0.00 1.98 1.83 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 2.23 2.08 0.00 55 S 8.23 4.67 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 4.00 4.31 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 1.25 0.00 0.00 57 F 7.75 4.25 0.00 3.10 3.07 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 58 K 8.27 4.23 0.00 0.79 1.14 0.00 1.20 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.11 1.08 7.81 59 N 8.55 5.40 0.00 2.62 2.70 0.00 0.00 6.41 7.05 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 60 T 8.42 4.61 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 1.23 0.00 0.00 61 E 8.47 5.23 0.00 1.97 1.83 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 2.21 2.31 0.00 62 I 8.70 4.75 2.07 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 0.88 1.14 0.00 0.00 63 S 8.44 5.14 0.00 3.64 3.63 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 64 F 8.22 4.54 0.00 2.52 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 0.00 0.00 0.00 65 K 8.44 4.95 0.00 1.76 1.75 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.41 7.81 66 L 8.63 4.38 0.00 1.68 1.69 0.96 1.06 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 67 G 9.22 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 68 V 7.49 4.35 2.29 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 0.88 0.00 0.00 0.98 0.00 0.00 69 E 8.85 4.56 0.00 2.04 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 2.25 2.27 0.00 70 F 8.93 5.17 0.00 3.09 3.08 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 71 D 8.83 5.06 0.00 2.65 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 72 E 8.83 4.71 0.00 2.02 1.56 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 0.00 2.19 2.38 0.00 73 I 8.42 4.75 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 1.41 0.98 0.89 0.00 0.00 74 T 8.48 4.12 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 1.06 0.00 0.00 75 A 8.55 4.04 1.55 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 0.00 0.00 76 D 8.08 4.80 0.00 2.80 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 77 D 7.85 4.50 0.00 2.89 2.85 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 78 R 7.57 4.03 0.00 1.49 1.27 0.00 2.21 0.00 0.00 2.75 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 79 K 8.42 4.80 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.46 7.81 80 V 8.64 4.82 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 0.22 0.00 0.00 0.82 0.00 0.00 81 K 8.97 4.85 0.00 1.61 1.76 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.53 7.81 82 S 8.49 5.01 0.00 2.72 2.75 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 0.00 0.00 0.00 83 I 8.27 4.84 1.85 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 1.23 1.37 0.88 0.00 0.00 84 I 8.52 5.14 1.43 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.74 0.00 0.00 85 T 8.86 5.01 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 1.22 0.00 0.00 86 L 8.36 4.96 0.00 1.67 1.63 1.05 1.16 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 87 D 9.12 4.30 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.30 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 89 G 8.61 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 90 A 7.45 5.17 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 91 L 8.31 4.42 0.00 1.14 1.35 0.32 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.66 4.50 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 0.98 0.00 0.00 0.97 0.00 0.00 93 Q 8.85 4.91 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 94 V 8.50 4.76 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 0.93 0.00 0.00 0.93 0.00 0.00 95 Q 9.07 5.11 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.53 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 96 K 8.85 5.44 0.00 1.69 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 97 W 9.02 4.81 0.00 3.39 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 98 D 9.81 4.32 0.00 2.49 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 99 G 8.28 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 0.00 0.00 0.00 100 K 6.95 4.22 0.00 0.79 1.02 0.00 1.07 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.93 0.77 7.81 101 S 7.51 5.67 0.00 3.88 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 0.00 102 T 8.73 5.06 4.57 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 0.00 0.00 0.00 1.39 0.00 0.00 103 T 8.96 5.05 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 1.26 0.00 0.00 104 I 9.15 4.66 1.83 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 1.11 0.76 0.86 0.00 0.00 105 K 8.95 4.69 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 106 R 9.16 5.10 0.00 1.50 1.73 0.00 2.95 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 107 K 8.90 5.19 0.00 1.83 1.90 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.39 7.81 108 R 8.34 4.67 0.00 1.53 1.73 0.00 2.72 0.00 0.00 2.79 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.06 0.00 109 D 9.02 4.43 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 0.00 111 D 8.87 4.85 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 0.00 112 K 7.78 4.95 0.00 1.76 1.74 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.51 7.81 113 L 8.41 4.32 0.00 0.27 0.96 -0.14 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.83 4.59 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 0.86 0.00 0.00 0.91 0.00 0.00 115 V 8.69 4.79 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 0.95 0.00 0.00 0.88 0.00 0.00 116 E 9.08 5.05 0.00 1.99 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 2.14 2.21 0.00 117 C 8.50 5.10 0.00 1.53 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 0.00 118 V 8.82 4.99 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 0.99 0.00 0.00 0.93 0.00 0.00 119 M 9.09 4.88 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 120 K 9.36 4.06 0.00 1.97 1.96 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 121 G 8.25 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 0.00 0.00 0.00 122 V 7.78 4.19 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 1.12 0.00 0.00 1.03 0.00 0.00 123 T 8.43 5.06 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 1.24 0.00 0.00 124 S 8.69 5.08 0.00 4.20 3.63 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 0.00 125 T 8.67 4.98 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 1.18 0.00 0.00 126 R 9.01 4.84 0.00 1.71 1.48 0.00 2.85 0.00 0.00 2.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 127 V 8.14 4.68 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 0.96 0.00 0.00 0.89 0.00 0.00 128 Y 9.19 5.44 0.00 2.90 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 0.00 129 E 8.96 5.39 0.00 2.14 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 0.00 2.26 2.32 0.00 130 R 8.64 3.91 0.00 1.55 1.65 0.00 3.00 0.00 0.00 2.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 131 A 8.14 4.20 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 * Residues marked with a * may have inaccurate shift predictions.