NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7151 8.4449 117.8484 55.6664 30.2013 176.1210 *2 R 4.4697 8.6058 126.4395 57.0872 31.9680 173.2567 3 T 5.0884 9.7711 112.0999 59.8383 72.1774 172.5528 4 L 5.2294 9.0712 125.6219 53.3048 45.3045 174.6638 5 A 5.1715 8.9238 127.9535 50.2489 21.7504 175.5021 6 V 4.8572 9.0695 121.3585 61.0877 35.2327 174.2678 7 I 4.8009 8.7805 127.8608 59.6478 40.1728 174.4812 8 S 5.1094 9.1277 123.4297 56.2043 65.8264 174.6291 9 A 4.9401 8.1771 125.8347 51.6199 19.4941 176.9377 10 G 3.7999 8.2173 107.1279 47.0184 0.0000 174.3287 11 L 4.4956 8.3787 120.3260 55.7476 43.3593 177.5508 12 S 4.4540 7.8722 113.4812 58.4949 63.5635 173.7750 13 T 4.4095 8.0085 111.7320 59.7506 70.0082 171.9631 14 P 4.4337 0.0000 0.0000 62.6633 32.1202 175.7501 15 S 4.6991 8.2131 111.6797 56.2106 65.3221 174.6320 16 S 4.2001 8.6793 125.1314 61.8703 62.7439 176.7034 17 T 3.8191 7.8596 118.0571 66.7354 68.2492 176.3983 18 R 3.9045 7.9107 120.2044 59.3830 30.0858 178.5906 19 Q 3.9699 8.0403 117.9387 59.1046 28.7824 178.6750 20 I 3.8004 8.0144 119.2259 63.6787 37.8980 177.8186 21 A 4.0024 7.9101 122.0576 55.1309 18.2172 179.3312 22 D 4.3543 8.4822 119.2058 56.9448 40.8931 179.1195 23 S 4.4440 7.9788 116.9154 61.1128 62.8417 176.6606 24 I 3.6193 7.7883 122.5757 64.5541 36.4369 178.6480 25 S 4.1592 8.2234 114.9921 61.5171 62.6133 176.3999 26 E 3.9328 8.7533 122.3465 59.1021 29.2414 179.1510 27 A 3.9795 8.5277 121.1710 55.1103 18.3775 179.8919 28 V 3.5883 8.1695 117.3200 66.2848 31.6544 178.4697 29 T 3.8688 8.0766 115.6191 66.4361 68.1761 176.5641 30 A 3.9806 8.0919 122.6210 54.9812 17.8927 179.5208 31 A 3.9163 8.0106 119.4051 55.3577 18.4901 179.9709 32 V 3.6720 8.0053 116.3686 65.5152 31.5609 178.2639 33 S 4.6964 8.1712 114.2958 60.7038 62.0382 175.8596 34 A 4.1146 8.2582 122.8843 54.4997 18.0942 178.7168 35 R 4.3871 7.3042 114.1731 55.9835 30.3302 177.4797 36 G 3.9234 8.1118 107.0961 45.3399 0.0000 172.9667 37 E 4.6830 8.0733 118.2451 54.2379 32.9579 174.5264 38 A 4.9761 8.2305 122.0386 50.4499 21.3341 175.7880 39 L 4.9896 8.1753 121.1199 53.2778 45.2082 175.4171 40 S 4.9232 9.2159 121.1259 56.4675 64.7311 172.8201 41 V 4.7771 8.3767 125.9828 59.9495 33.6774 174.7531 42 S 4.5795 9.4160 121.1053 56.9163 64.0016 172.4353 43 T 4.9230 8.4017 124.4114 62.1165 69.8130 174.2982 44 I 4.3560 9.0764 128.5820 59.5617 39.9778 174.6622 45 E 4.7782 8.4815 126.1125 54.5301 30.6493 176.6946 46 L 3.9015 8.8628 127.2921 57.7280 41.8744 179.5408 47 S 4.4622 8.0397 109.8517 59.1883 62.9832 174.0598 48 E 4.6358 8.1557 119.0806 56.3782 30.2268 176.1746 49 L 4.8773 7.7747 117.2391 53.1765 42.8841 178.0768 50 I 3.6826 7.9040 119.7702 64.3066 37.3417 175.1017 51 P 4.4124 0.0000 0.0000 66.0505 31.3857 177.2272 52 D 4.5030 8.2699 118.4746 57.2411 40.8093 178.8502 53 L 4.1457 7.8754 115.4365 55.8170 41.1358 178.2080 *55 T 4.3671 8.1103 117.0459 63.8466 70.0485 177.4258 56 A 4.8790 7.7042 119.9883 52.4142 17.4949 178.4769 *58 T 4.4234 7.9212 117.9404 64.8736 70.7083 174.4780 59 T 4.7408 8.1524 116.7109 61.7622 72.3484 174.0115 60 R 4.4546 8.4563 119.0115 56.1819 29.8285 176.3823 61 V 3.9035 7.3585 118.0981 62.9424 32.2294 174.4420 62 H 4.9661 8.4775 123.8299 54.0046 30.7437 175.1996 63 T 4.2181 8.2091 114.6222 61.5055 71.0227 175.6672 64 T 3.8362 8.3290 117.5582 66.5067 68.4848 176.7543 65 K 3.9003 7.9567 121.0202 59.6100 32.2973 178.5570 66 L 4.0197 8.1010 120.4717 57.8114 41.9039 178.4807 67 E 3.9778 8.4467 119.8853 59.2980 29.4939 178.6651 68 E 4.0370 8.1377 118.2048 59.1147 29.5167 179.3124 69 I 3.7110 7.7050 120.0098 64.7347 37.2560 178.6782 70 T 3.9589 8.2809 110.9378 64.6601 68.6255 176.9616 71 S 4.0362 8.1427 117.8392 61.5066 62.7330 176.4495 72 A 4.0241 8.0274 122.2383 55.1081 18.3216 178.8766 73 L 3.9839 7.9640 118.9610 58.7739 42.0298 179.4810 74 S 4.2843 8.3801 114.7105 61.0521 62.6262 176.0236 75 A 4.2794 7.6292 121.6530 52.4425 18.8733 177.8470 76 S 4.8684 7.1663 112.6998 58.2727 63.5566 173.8999 77 D 4.6562 8.4079 121.7524 56.0783 41.6272 177.2150 78 G 4.3541 7.9043 103.4814 44.3730 0.0000 171.3607 79 L 5.3814 8.8245 122.0163 53.0687 46.1329 175.2137 80 V 4.9812 8.8911 125.0509 61.1953 34.6290 174.4250 81 V 5.1713 8.8148 120.3863 59.6223 34.6453 174.5665 82 A 5.0735 9.1884 125.7439 49.4967 22.9028 174.7008 83 T 4.4252 7.8183 113.5765 59.8861 70.9739 171.5085 84 P 4.7517 0.0000 0.0000 62.5299 33.0541 175.2558 85 V 4.4507 7.7053 119.6596 61.3146 32.9812 174.7934 86 F 5.1860 8.6538 127.1823 56.8366 41.2448 175.9673 87 K 4.0987 9.6213 124.0923 57.6536 29.4026 175.0822 88 A 3.4242 8.5314 115.5335 52.6268 16.3307 177.7168 89 S 4.3402 7.4846 113.1700 59.1626 65.2847 173.2687 90 Y 4.5202 7.5301 118.2946 56.5857 38.7085 175.9294 91 T 4.2383 8.1944 117.4667 63.4692 70.2020 176.2836 92 G 3.7493 8.8205 110.8004 47.8531 0.0000 175.6139 93 L 4.2040 8.0218 121.4738 57.8191 42.5691 178.3138 94 F 4.4117 8.2275 120.1506 61.0779 39.5578 179.1824 95 K 3.7842 8.3820 120.4599 55.8889 31.5501 178.4336 *97 F 4.5119 8.0603 120.4483 57.8801 41.1777 176.7626 98 F 3.8018 7.6131 117.2683 60.0028 38.9416 177.5398 99 D 4.5062 8.0285 120.2928 57.1907 40.6777 177.8538 100 I 3.8082 7.0875 118.2409 63.1927 37.3074 176.4627 101 L 4.1879 6.7728 118.5453 53.6147 42.4415 176.4521 102 D 4.5238 8.2610 120.2861 54.3246 41.5164 177.7052 103 T 3.8489 8.5717 119.7593 66.6082 68.5010 174.5468 104 D 4.8951 8.0403 116.9840 52.1722 39.9021 177.2437 105 A 4.2073 8.2590 125.1599 54.9185 18.1220 179.7484 106 L 4.7099 7.6257 114.1915 54.5617 42.3575 176.0995 107 T 3.8686 7.9168 116.7715 64.9065 68.3931 170.4035 108 G 3.7240 8.8096 121.7427 44.4900 0.0000 170.1748 *110 P 4.4487 0.0000 0.0000 62.2960 33.2497 175.9548 111 T 5.3334 8.9033 119.7308 62.1061 73.7344 172.7531 112 I 4.8395 8.6906 125.7740 59.5547 39.8866 174.6239 113 I 4.8154 8.4103 120.5193 59.6433 39.9026 174.4908 114 A 5.3162 8.8839 125.1847 51.0036 23.3907 174.3228 115 A 4.5508 8.4639 118.7203 51.8329 23.2859 175.3609 116 T 4.3525 8.0107 112.5318 61.0183 71.8083 172.5305 117 A 4.2933 7.8000 125.4065 51.7328 23.2852 177.2515 118 G 3.5798 8.8270 104.6454 49.7372 0.0000 175.0809 119 S 4.9390 7.7912 114.5547 56.3208 65.6596 173.3782 120 A 4.6885 8.2175 121.6059 51.9267 19.3497 178.5419 121 R 3.7707 7.9370 113.6736 59.1123 29.4245 177.1441 122 H 4.8921 7.7914 114.3681 55.3011 29.4585 176.4272 123 S 2.7900 7.5477 118.3817 60.9423 62.5015 176.0856 124 L 4.2761 7.6911 117.8265 55.5257 41.1261 179.0187 125 V 3.7081 7.7983 121.9699 64.5250 31.2023 178.2606 126 L 4.0216 7.9046 119.5709 57.8099 41.4113 178.4683 127 D 4.6189 7.8000 114.2137 54.4933 41.2600 176.2914 128 Y 4.6785 7.6082 115.1573 57.5770 39.5148 175.3802 129 A 4.5940 7.9412 121.9774 52.8000 22.0369 178.3707 130 L 4.1524 8.1537 113.7202 57.8102 41.8805 179.7436 131 R 3.8937 8.3649 118.9191 59.1524 30.0416 176.8378 132 P 4.2733 0.0000 0.0000 65.2081 31.0929 178.3083 133 L 3.9850 7.6784 118.6116 58.3079 42.3986 178.7041 134 L 4.1300 8.2069 119.1179 57.8234 41.5335 179.8143 135 S 4.1647 8.3921 115.3124 61.4892 62.7285 177.1827 136 Y 4.1421 7.8475 122.5991 57.5196 39.3513 176.5445 *138 R 4.4094 8.1932 113.4300 55.5649 32.5175 175.6592 139 A 4.7900 8.3499 120.4654 50.8145 20.1890 178.7257 140 V 4.1123 8.2320 119.5215 60.1979 33.0612 175.1430 141 V 4.5116 8.2324 126.8830 61.5442 31.8918 176.0362 142 V 3.6973 8.3938 122.1237 61.3991 31.6856 174.7570 143 P 4.2707 0.0000 0.0000 66.1825 31.1895 177.5558 144 T 4.0746 7.8750 117.6397 63.4591 66.8024 174.4905 145 G 3.9873 8.2619 113.3726 45.5958 0.0000 171.0590 146 V 4.6016 8.6448 120.9781 61.0023 33.9387 174.1433 147 F 4.9945 9.2558 130.7199 56.4474 41.4983 174.5363 148 A 4.0859 8.3513 129.3997 50.4368 20.1345 175.9710 149 A 4.5023 8.0526 125.3497 51.5971 19.2176 177.7857 150 T 2.4800 8.3474 113.5264 64.4457 69.2646 175.6482 151 E 4.1603 7.7981 120.3938 56.4826 30.1884 176.7630 152 D 4.8756 7.5694 119.9294 53.8853 41.6956 176.2545 153 F 4.8718 7.9589 117.3630 57.6309 39.9040 175.2282 154 G 4.0160 9.0269 110.6583 46.3483 0.0000 175.3868 155 G 4.0919 8.3383 108.9478 44.1847 0.0000 172.0652 156 P 4.2532 0.0000 0.0000 65.9015 31.1473 178.1691 157 E 4.0946 8.3803 116.6808 59.8103 29.3840 179.7198 158 G 3.8313 8.0420 104.3361 47.7845 0.0000 175.4659 159 A 4.0250 8.2015 123.0174 54.8669 18.3334 179.1750 160 E 3.8020 8.1861 117.7801 58.8742 29.6825 178.6321 161 F 4.3497 8.3308 121.0131 61.4378 39.5507 176.9491 162 N 4.0194 8.5360 116.4199 55.9961 38.1575 177.3402 163 K 3.9430 7.6001 120.9816 59.2845 32.2521 178.9351 164 R 3.8434 7.8087 119.1651 59.2613 29.9490 178.5688 165 I 3.4668 7.5203 119.6606 64.1329 36.9753 178.2032 166 A 3.9150 7.8206 121.5677 55.1985 18.2279 179.6465 167 R 3.8117 8.2190 117.1645 59.4704 30.0857 178.6574 168 A 3.9750 8.0493 120.5060 54.9928 18.3966 179.5016 169 A 4.0376 8.1665 119.5904 55.0474 18.3349 180.1014 170 G 3.5209 8.4423 104.6836 48.0035 0.0000 175.6487 171 E 3.9574 8.0604 121.4424 58.9647 29.5176 179.4032 172 L 3.8948 7.9538 119.9172 58.1689 42.2718 178.5341 173 A 4.0414 8.4706 121.0770 55.4501 17.9131 179.8029 174 S 4.0544 8.3360 113.5270 61.7633 63.0678 176.8218 175 L 4.0130 7.6852 121.0910 57.9884 41.1669 179.6636 176 I 3.9150 7.9329 119.9943 63.7873 37.1922 178.3066 177 V 4.0030 7.7306 110.6676 62.2201 31.8302 177.1564 178 E 4.3375 7.6062 116.0194 55.7135 30.1505 176.1999 179 E 4.1874 7.1559 118.6575 56.3098 30.4772 176.8364 180 S 4.3311 8.5028 115.6694 58.4910 62.4741 173.7436 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 0 H 8.44 4.72 0.00 3.14 2.53 0.00 5.72 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 8.61 4.47 0.00 1.86 1.89 0.00 3.23 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 3 T 9.77 5.09 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 4 L 9.07 5.23 0.00 1.71 1.62 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.92 5.17 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 6 V 9.07 4.86 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 0.97 0.00 0.00 0.93 0.00 0.00 7 I 8.78 4.80 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.58 0.62 0.00 0.00 8 S 9.13 5.11 0.00 3.77 3.75 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 9 A 8.18 4.94 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 10 G 8.22 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 11 L 8.38 4.50 0.00 1.77 1.80 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.87 4.45 0.00 3.94 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 13 T 8.01 4.41 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 14 P 0.00 4.43 0.00 2.21 2.13 0.00 3.71 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 2.01 1.97 0.00 15 S 8.21 4.70 0.00 4.13 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 16 S 8.68 4.20 0.00 3.91 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 17 T 7.86 3.82 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 18 R 7.91 3.90 0.00 2.06 2.08 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 19 Q 8.04 3.97 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 20 I 8.01 3.80 1.96 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 1.51 1.52 0.99 0.00 0.00 21 A 7.91 4.00 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 22 D 8.48 4.35 0.00 2.79 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 23 S 7.98 4.44 0.00 3.98 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 24 I 7.79 3.62 1.98 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 1.90 0.88 0.90 0.00 0.00 25 S 8.22 4.16 0.00 4.03 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 26 E 8.75 3.93 0.00 2.09 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 2.31 2.47 0.00 27 A 8.53 3.98 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 28 V 8.17 3.59 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 1.02 0.00 0.00 0.94 0.00 0.00 29 T 8.08 3.87 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 1.20 0.00 0.00 30 A 8.09 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.92 1.39 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 0.00 0.00 0.00 32 V 8.01 3.67 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 1.03 0.00 0.00 0.95 0.00 0.00 33 S 8.17 4.70 0.00 4.07 4.02 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 34 A 8.26 4.11 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 35 R 7.30 4.39 0.00 1.82 1.96 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 36 G 8.11 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 37 E 8.07 4.68 0.00 2.02 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 2.20 2.20 0.00 38 A 8.23 4.98 1.22 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 39 L 8.18 4.99 0.00 1.61 1.50 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.22 4.92 0.00 3.88 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 41 V 8.38 4.78 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 0.76 0.00 0.00 0.92 0.00 0.00 42 S 9.42 4.58 0.00 3.84 3.87 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 0.00 0.00 0.00 43 T 8.40 4.92 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 1.19 0.00 0.00 44 I 9.08 4.36 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.69 0.00 0.00 45 E 8.48 4.78 0.00 1.97 1.86 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 2.28 2.24 0.00 46 L 8.86 3.90 0.00 1.68 1.71 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 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0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.38 4.28 0.00 3.91 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 75 A 7.63 4.28 1.38 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 0.00 0.00 0.00 76 S 7.17 4.87 0.00 4.02 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 77 D 8.41 4.66 0.00 2.72 2.92 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 78 G 7.90 4.35 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 0.00 79 L 8.82 5.38 0.00 1.80 1.65 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.89 4.98 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 0.95 0.00 0.00 0.95 0.00 0.00 81 V 8.81 5.17 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 0.99 0.00 0.00 1.14 0.00 0.00 82 A 9.19 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0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 126 L 7.90 4.02 0.00 1.80 1.82 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 127 D 7.80 4.62 0.00 2.32 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 0.00 0.00 0.00 128 Y 7.61 4.68 0.00 3.11 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 0.00 129 A 7.94 4.59 1.12 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 0.00 0.00 130 L 8.15 4.15 0.00 1.99 1.82 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.36 3.89 0.00 2.00 1.89 0.00 3.34 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 132 P 0.00 4.27 0.00 2.26 2.12 0.00 3.85 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 2.21 2.14 0.00 133 L 7.68 3.99 0.00 1.93 1.87 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.21 4.13 0.00 1.69 1.73 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.39 4.16 0.00 4.02 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 0.00 136 Y 7.85 4.14 0.00 3.00 3.21 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 *138 R 8.19 4.41 0.00 1.78 1.92 0.00 3.35 0.00 0.00 3.21 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 139 A 8.35 4.79 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 0.00 140 V 8.23 4.11 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 0.77 0.00 0.00 0.94 0.00 0.00 141 V 8.23 4.51 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 0.83 0.00 0.00 0.96 0.00 0.00 142 V 8.39 3.70 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 0.67 0.00 0.00 0.99 0.00 0.00 143 P 0.00 4.27 0.00 2.04 2.14 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 144 T 7.87 4.07 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 1.25 0.00 0.00 145 G 8.26 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 0.00 146 V 8.64 4.60 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 1.08 0.00 0.00 0.93 0.00 0.00 147 F 9.26 4.99 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.09 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 0.00 149 A 8.05 4.50 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 0.00 150 T 8.35 2.48 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 1.14 0.00 0.00 151 E 7.80 4.16 0.00 1.88 1.93 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 2.22 2.21 0.00 152 D 7.57 4.88 0.00 2.49 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 0.00 153 F 7.96 4.87 0.00 3.01 2.87 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 0.00 0.00 0.00 154 G 9.03 4.02 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 0.00 0.00 0.00 155 G 8.34 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.25 0.00 2.19 2.15 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 157 E 8.38 4.09 0.00 2.06 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 2.44 2.42 0.00 158 G 8.04 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 0.00 159 A 8.20 4.02 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 0.00 160 E 8.19 3.80 0.00 2.40 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 2.33 2.50 0.00 161 F 8.33 4.35 0.00 3.23 3.29 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 0.00 162 N 8.54 4.02 0.00 2.71 2.76 0.00 0.00 6.70 7.79 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 0.00 163 K 7.60 3.94 0.00 1.85 1.91 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 164 R 7.81 3.84 0.00 2.08 1.96 0.00 3.30 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 165 I 7.52 3.47 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.19 0.74 0.00 0.00 166 A 7.82 3.92 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 0.00 167 R 8.22 3.81 0.00 1.86 2.05 0.00 3.10 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 168 A 8.05 3.98 1.42 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 0.00 169 A 8.17 4.04 1.37 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 0.00 0.00 0.00 170 G 8.44 3.52 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 0.00 171 E 8.06 3.96 0.00 2.21 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 0.00 2.33 2.32 0.00 172 L 7.95 3.89 0.00 1.86 1.78 0.97 1.13 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 0.00 173 A 8.47 4.04 1.40 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 0.00 0.00 0.00 174 S 8.34 4.05 0.00 4.03 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 0.00 175 L 7.69 4.01 0.00 1.93 1.73 0.92 1.18 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 0.00 176 I 7.93 3.92 2.03 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 1.71 1.09 0.91 0.00 0.00 177 V 7.73 4.00 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 0.84 0.00 0.00 1.04 0.00 0.00 178 E 7.61 4.34 0.00 2.11 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 0.00 2.55 2.34 0.00 179 E 7.16 4.19 0.00 2.23 1.90 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 2.33 2.49 0.00 180 S 8.50 4.33 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.