NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4678 8.1627 118.3281 55.4810 33.6515 173.0202 2 Q 4.9117 8.2697 118.8933 52.5922 31.8420 172.5670 3 I 4.6238 9.4787 119.0563 59.0595 42.2763 173.2115 4 F 5.1135 8.8585 121.4153 55.9780 41.1390 175.4283 5 V 4.6560 8.5633 122.9733 61.2751 33.8913 174.2527 6 K 4.8509 8.8248 129.2474 55.2208 33.7070 176.8702 7 T 4.5887 8.3873 115.6949 59.9377 71.3553 174.4002 8 L 4.9132 8.1084 120.0432 55.6665 41.9799 177.6567 9 T 4.5369 7.8550 104.2547 61.2754 69.7377 174.7775 10 G 3.9905 7.7096 113.7160 45.3967 0.0000 174.5447 11 K 4.0527 7.8794 121.7731 56.9669 33.4106 175.7289 12 T 4.5656 8.5195 123.8299 61.6901 70.3929 173.3595 13 I 4.3722 8.3036 121.1798 60.3188 39.5666 175.3261 14 T 4.7978 8.3671 114.0467 61.1444 70.8589 173.8032 15 L 4.5532 8.1783 122.6773 54.1948 46.0746 173.6535 16 E 5.4771 8.5499 124.9650 54.3859 32.3232 176.1792 17 V 4.3215 7.7358 114.8878 61.1502 35.0828 172.2636 18 E 4.6933 8.4406 119.1328 55.2268 33.2732 176.2362 19 S 4.0998 8.9871 119.1903 61.6469 62.8613 176.0010 20 S 4.0712 8.1828 114.7969 60.4341 61.1531 174.1301 21 D 4.2972 9.7056 121.4624 54.6548 40.8117 176.4939 22 T 4.3915 8.2724 115.0771 61.0923 69.7779 175.3993 23 I 3.9309 7.9401 120.7451 63.6036 37.1267 177.7889 24 D 4.6697 8.0292 118.6829 56.0920 41.1811 177.3661 25 N 4.5140 7.4652 119.4804 55.3793 39.1713 176.7058 26 V 3.5881 7.6777 119.6668 66.4637 31.4577 178.3100 27 K 4.1657 7.6408 116.4374 59.0757 31.6595 179.7115 28 S 4.1219 7.7478 114.0561 61.9252 62.7625 175.9772 29 K 3.7983 8.4198 122.1458 59.3780 31.7887 178.8920 30 I 3.6621 8.1439 119.2140 64.8950 37.1083 177.9603 31 Q 4.7324 7.5695 120.1886 58.3840 28.7918 177.3125 32 D 4.7513 9.3505 116.7788 54.2995 41.4043 176.7151 33 K 4.6405 8.0036 113.4479 58.1386 35.3437 176.3096 34 E 4.5989 7.9578 117.0095 56.3084 31.7714 176.1236 35 G 4.1606 8.5331 111.4016 45.7667 0.0000 174.8385 36 I 3.8250 7.6417 121.5440 60.2914 37.3520 174.1668 37 P 4.6975 0.0000 0.0000 61.6400 32.0420 175.7954 38 P 4.3541 0.0000 0.0000 65.0415 31.8791 177.8498 39 D 4.3177 8.3826 118.5613 57.7749 41.0448 177.5850 40 Q 4.4440 7.9116 114.9258 56.7277 28.7282 175.3973 41 Q 5.1056 8.0943 118.6929 54.1692 30.3943 175.0720 42 R 4.6527 8.6444 123.6781 54.5143 32.8820 174.1507 43 L 5.1942 8.5056 125.2048 53.5715 44.7351 175.3913 44 I 4.9210 8.8116 122.0747 59.6892 41.1860 174.0196 45 F 4.7574 8.7558 128.8939 56.5473 41.9075 174.7987 46 A 3.4979 8.3931 126.0345 53.2559 16.0151 179.6575 47 G 3.5486 7.9922 107.6532 47.0912 0.0000 174.3170 48 K 4.0508 8.5034 121.1832 55.8333 32.2217 176.1074 49 Q 4.4135 8.4901 126.1819 56.2220 29.4713 175.8876 50 L 3.9483 7.9637 125.8240 54.3169 42.4836 175.7232 51 E 4.8914 9.4334 121.6482 54.4470 32.6153 176.6623 52 D 4.5957 9.1242 123.7895 56.0152 41.2224 177.3412 53 G 3.8633 7.5334 106.6247 46.5912 0.0000 174.4158 54 R 4.0904 7.7487 118.7016 55.9039 31.1622 174.8809 55 T 4.6282 7.5607 107.9301 59.5291 71.0844 174.9082 56 L 3.9781 7.9275 124.9139 58.1548 42.1173 179.9551 57 S 4.0736 8.0232 112.4627 60.7608 63.6157 175.3597 58 D 4.4830 7.8122 120.1190 57.7497 40.7344 177.4983 59 Y 4.5128 7.4830 112.1967 58.0030 37.3823 175.4697 60 N 4.1917 9.0125 117.0694 53.9868 38.2636 174.2258 61 I 3.5088 7.8116 117.7468 61.6248 37.5338 175.3476 62 Q 4.7919 7.5788 124.1541 53.5863 30.5104 175.2137 63 K 4.1822 8.2302 116.6111 58.3717 33.4208 177.0223 64 E 3.3332 9.0011 119.0835 57.1873 27.5266 174.8636 65 S 4.6865 7.1505 115.3119 58.4683 64.9756 173.2181 66 T 5.2259 8.5886 116.4184 62.2486 70.9870 173.8830 67 L 4.7966 9.0277 127.3803 53.8440 44.1592 175.5702 68 H 5.0590 8.6371 119.6870 54.5156 30.4951 173.7917 69 L 5.1529 8.5109 125.5875 53.3552 44.0741 175.5829 70 V 4.5051 10.1830 124.8265 61.1372 35.2305 173.7817 71 L 5.0511 8.3692 123.3049 52.9912 43.4663 176.1883 72 R 4.4371 8.9764 125.8435 54.4715 31.5721 174.7650 73 L 4.3041 8.3393 127.1323 54.1261 42.4266 178.2166 74 R 4.3837 8.3733 125.1407 54.4053 29.8831 175.4183 75 G 3.8766 7.6097 120.6013 45.2492 0.0000 171.9851 *79 E 4.4013 9.3562 122.4685 55.6598 31.7647 174.5787 80 T 4.6081 7.7379 114.5497 61.5757 71.3754 173.6875 81 I 3.9524 8.5352 128.7491 60.5116 38.3668 175.1956 82 K 4.9679 8.3519 127.9728 54.4671 34.9196 174.8771 83 F 4.9385 9.3435 125.5885 55.7084 41.9489 174.4538 84 V 5.0379 8.6061 122.0788 61.1555 34.9844 174.3132 85 A 4.7927 8.7542 126.9832 50.3709 22.5178 174.7207 86 D 4.9240 8.7091 121.9857 53.1538 43.8390 174.1688 87 G 3.8839 8.6699 117.5944 45.7989 0.0000 173.6696 88 D 4.4682 8.9842 120.9859 57.4818 41.1596 177.8545 89 I 4.0279 7.7931 110.5388 61.8794 39.0978 177.1153 90 G 4.1518 7.3634 109.6431 46.0075 0.0000 171.1621 91 S 5.0512 8.3961 116.5170 57.3033 65.9278 174.6798 92 G 4.3481 9.5802 109.8379 44.9151 0.0000 172.0176 93 S 5.1209 8.4183 115.0054 57.2473 65.3311 173.4991 94 V 4.5510 9.1186 127.7838 61.1045 34.1872 174.0469 95 I 5.1367 8.5961 128.1094 59.5093 39.6754 174.8125 96 I 4.8829 9.3863 120.1854 59.0563 41.1297 174.5304 97 K 5.2865 8.5749 121.5919 53.6994 35.9524 174.3191 98 P 4.6076 0.0000 0.0000 62.5749 31.8604 175.3016 99 F 5.1067 8.1827 118.0830 55.3438 42.3365 172.8777 100 V 4.4838 8.5251 118.0447 61.0688 33.3452 174.6877 101 D 4.7579 9.3491 128.1327 54.4750 42.0821 175.5238 102 M 4.3077 8.4888 123.7235 57.3961 33.3222 177.7664 103 E 4.0498 8.1695 116.5664 59.2922 30.1430 177.2907 104 H 4.7429 8.4716 119.2239 53.0766 30.3177 171.2345 105 P 4.3870 0.0000 0.0000 65.0203 31.6401 178.0946 106 E 3.7699 8.2228 115.9302 58.5109 29.3511 177.2436 107 T 4.2929 7.7053 112.2154 62.4254 67.8393 174.8631 108 S 3.5495 8.6086 118.0938 59.2694 63.6771 173.8661 109 I 4.1287 6.8395 124.0655 59.7621 38.4233 175.1532 110 K 4.4191 8.3661 126.6690 55.3091 33.8619 176.4453 111 L 4.3646 8.0775 123.3590 53.9181 45.0045 174.1537 112 E 4.6076 8.7201 123.7175 54.4419 31.7531 174.6131 113 M 4.5927 8.5884 122.4779 53.8460 34.2576 174.5036 114 D 4.6725 8.7577 125.5916 55.7690 42.1837 176.7914 115 Q 4.6025 7.5358 114.9427 52.8365 32.8492 172.8301 116 P 4.3326 0.0000 0.0000 63.3278 31.6782 176.0856 117 V 4.4395 8.0482 113.1656 59.7920 34.7519 175.5546 118 D 4.5800 8.3327 121.9167 52.4857 41.7418 173.8337 119 L 4.8287 8.0313 123.1076 52.7177 46.0629 175.7016 120 T 4.7272 7.8766 116.9200 61.8574 72.1936 172.9991 121 F 5.1206 8.7511 122.4857 55.2531 43.0810 175.0333 122 G 3.8968 9.0400 110.8476 45.9854 0.0000 174.4630 123 A 4.2170 8.6911 124.9600 54.3716 18.8922 180.1089 124 K 3.7177 7.9507 117.0316 60.3821 32.5088 178.8539 125 Y 4.0881 7.6248 117.3651 60.7696 37.9733 177.7672 126 L 3.8310 7.5720 118.4926 57.1563 41.4370 179.5710 127 L 3.8876 7.7767 118.9977 57.7688 41.6090 178.4938 128 D 4.4259 7.7659 118.4719 57.5580 40.7355 179.2970 129 I 2.6146 7.1432 119.7234 63.8512 37.0455 178.3970 130 I 3.8072 7.5378 113.3747 63.2387 37.0780 177.9205 131 K 3.8258 7.5660 120.9168 59.4761 31.8984 178.6290 132 G 2.9030 7.5642 104.4911 46.1142 0.0000 175.1653 133 S 4.1787 7.7633 118.3622 61.5252 62.6469 175.9648 134 S 4.3698 7.6809 114.1884 59.4844 63.0851 174.5297 135 L 4.5332 7.4390 121.5724 55.2957 43.1431 176.5142 136 S 4.7203 7.6525 111.6358 56.4744 65.6648 173.4335 137 D 4.5289 9.0098 126.7287 56.8267 40.7793 176.8232 138 R 4.8231 7.5809 115.6622 54.0596 33.2675 175.1940 139 V 4.3915 8.0241 117.9847 60.0120 34.2577 175.0732 140 G 4.0959 8.6449 110.9287 45.0760 0.0000 172.6521 141 I 4.7653 7.7959 121.6527 59.5269 41.3853 174.6641 142 R 4.5007 8.9453 125.5325 54.3043 33.4113 174.4553 143 L 5.0608 8.2015 122.9077 53.2985 45.1545 175.8577 144 S 4.5686 8.2770 113.3155 57.5996 64.9689 175.2264 145 S 4.3340 8.6637 120.0365 60.1345 63.3931 174.6551 146 E 4.3894 8.1614 119.1290 55.8178 29.5652 175.2877 147 A 4.4468 7.4166 119.2068 50.3087 21.7167 174.4301 148 P 4.5175 0.0000 0.0000 63.1373 32.1711 176.3711 149 A 4.2595 8.8907 125.7325 51.9658 19.7739 175.9537 150 L 4.5115 8.4890 124.6456 53.5584 44.0478 175.2222 151 F 5.0736 8.9065 124.3530 55.7442 42.5812 174.2939 152 Q 4.7698 8.6664 123.9380 55.0570 32.7284 172.8414 153 F 5.0627 8.9328 125.3605 56.0889 41.2266 174.6181 154 D 5.2061 8.8207 123.1529 53.1870 42.2459 176.3410 155 L 4.5170 8.2506 122.6066 52.6125 43.4479 176.4740 156 K 3.6972 8.6819 121.2398 58.5341 32.4347 177.1549 157 S 3.6814 8.7979 117.8338 56.9703 60.9506 172.0191 158 G 3.7957 7.1286 113.9071 46.0533 0.0000 168.3963 159 F 5.0113 7.0194 117.9420 56.6251 40.4916 173.4447 160 L 4.8284 8.9487 120.5513 53.5305 44.8855 174.9042 161 Q 5.0104 8.8711 124.4554 54.0567 32.2164 175.0539 162 F 4.8930 9.1511 121.7058 55.8472 41.8038 174.2381 163 F 5.0683 9.1635 123.4301 56.5097 40.2489 175.3473 164 L 4.8316 9.1427 125.2366 52.9887 45.0767 175.2585 165 A 4.5155 8.7736 128.8406 51.0871 18.9097 175.4565 166 P 3.8558 0.0000 0.0000 62.1571 32.0900 176.2240 167 K 3.9074 7.7660 119.3900 55.9447 32.9560 177.9027 168 F 4.4313 8.1287 120.5181 59.9942 39.4299 175.7796 169 N 4.6153 8.0848 120.4434 53.5375 39.4976 174.3080 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 4.47 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 Q 8.27 4.91 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 1.99 2.31 0.00 3 I 9.48 4.62 1.84 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 1.29 0.81 0.85 0.00 0.00 4 F 8.86 5.11 0.00 3.12 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 5 V 8.56 4.66 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 1.02 0.00 0.00 0.98 0.00 0.00 6 K 8.82 4.85 0.00 1.71 2.14 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 7 T 8.39 4.59 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 1.22 0.00 0.00 8 L 8.11 4.91 0.00 1.62 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.86 4.54 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 1.17 0.00 0.00 10 G 7.71 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 11 K 7.88 4.05 0.00 1.86 1.71 0.00 1.58 0.00 0.00 2.18 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 12 T 8.52 4.57 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 1.16 0.00 0.00 13 I 8.30 4.37 1.91 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 1.48 0.76 1.03 0.00 0.00 14 T 8.37 4.80 4.30 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 0.00 0.00 0.00 1.38 0.00 0.00 15 L 8.18 4.55 0.00 1.83 1.51 0.93 0.94 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 16 E 8.55 5.48 0.00 1.84 1.79 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 0.00 2.30 2.12 0.00 17 V 7.74 4.32 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 0.61 0.00 0.00 0.91 0.00 0.00 18 E 8.44 4.69 0.00 2.30 1.75 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 2.20 2.35 0.00 19 S 8.99 4.10 0.00 3.93 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 20 S 8.18 4.07 0.00 3.97 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 21 D 9.71 4.30 0.00 3.22 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 22 T 8.27 4.39 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 1.20 0.00 0.00 23 I 7.94 3.93 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 1.02 0.00 0.00 24 D 8.03 4.67 0.00 2.93 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 25 N 7.47 4.51 0.00 3.07 2.89 0.00 0.00 6.84 7.59 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 26 V 7.68 3.59 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 1.00 0.00 0.00 0.94 0.00 0.00 27 K 7.64 4.17 0.00 1.85 1.96 0.00 2.05 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 28 S 7.75 4.12 0.00 4.18 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 29 K 8.42 3.80 0.00 2.11 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.62 7.81 30 I 8.14 3.66 2.18 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 1.43 1.05 0.97 0.00 0.00 31 Q 7.57 4.73 0.00 2.04 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 32 D 9.35 4.75 0.00 2.90 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 33 K 8.00 4.64 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 34 E 7.96 4.60 0.00 1.96 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 0.00 2.31 2.25 0.00 35 G 8.53 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 36 I 7.64 3.83 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 1.29 0.77 0.91 0.00 0.00 37 P 0.00 4.70 0.00 2.18 1.97 0.00 3.59 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 P 0.00 4.35 0.00 2.30 2.36 0.00 3.47 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 39 D 8.38 4.32 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 40 Q 7.91 4.44 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 41 Q 8.09 5.11 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 42 R 8.64 4.65 0.00 1.89 1.73 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.51 5.19 0.00 1.65 1.57 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.81 4.92 1.84 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 1.10 1.80 0.94 0.00 0.00 45 F 8.76 4.76 0.00 3.02 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 46 A 8.39 3.50 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.99 3.55 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 0.00 48 K 8.50 4.05 0.00 1.90 1.60 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.39 7.81 49 Q 8.49 4.41 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.05 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 50 L 7.96 3.95 0.00 1.50 1.67 0.50 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 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2.93 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 60 N 9.01 4.19 0.00 2.76 2.86 0.00 0.00 7.09 7.82 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 61 I 7.81 3.51 1.76 0.00 0.00 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 1.12 0.81 0.64 0.00 0.00 62 Q 7.58 4.79 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 63 K 8.23 4.18 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.43 7.81 64 E 9.00 3.33 0.00 2.08 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 0.00 2.17 2.17 0.00 65 S 7.15 4.69 0.00 3.86 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 66 T 8.59 5.23 4.32 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 1.18 0.00 0.00 67 L 9.03 4.80 0.00 1.67 1.70 0.97 1.45 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 *79 E 9.36 4.40 0.00 1.89 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 2.21 2.30 0.00 80 T 7.74 4.61 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 81 I 8.54 3.95 1.90 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 1.05 0.66 0.57 0.00 0.00 82 K 8.35 4.97 0.00 1.67 1.56 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 83 F 9.34 4.94 0.00 3.05 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 84 V 8.61 5.04 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 0.85 0.00 0.00 0.97 0.00 0.00 85 A 8.75 4.79 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 86 D 8.71 4.92 0.00 2.67 2.53 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 87 G 8.67 3.88 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.95 0.00 0.00 96 I 9.39 4.88 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 1.05 0.00 0.00 97 K 8.57 5.29 0.00 1.72 1.77 0.00 2.08 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 98 P 0.00 4.61 0.00 2.06 2.05 0.00 3.49 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.81 0.00 99 F 8.18 5.11 0.00 3.07 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 0.00 100 V 8.53 4.48 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 0.83 0.00 0.00 0.95 0.00 0.00 101 D 9.35 4.76 0.00 3.03 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 0.00 102 M 8.49 4.31 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 103 E 8.17 4.05 0.00 1.92 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 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8.72 4.61 0.00 2.03 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 2.11 2.15 0.00 113 M 8.59 4.59 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 114 D 8.76 4.67 0.00 2.66 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 0.00 115 Q 7.54 4.60 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 116 P 0.00 4.33 0.00 2.15 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 117 V 8.05 4.44 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 0.89 0.00 0.00 118 D 8.33 4.58 0.00 2.54 2.49 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 0.00 0.00 0.00 0.00 119 L 8.03 4.83 0.00 1.52 1.02 1.06 0.72 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 0.00 120 T 7.88 4.73 4.10 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.14 2.61 1.47 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.44 0.28 0.00 0.00 130 I 7.54 3.81 1.80 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 1.63 0.64 0.84 0.00 0.00 131 K 7.57 3.83 0.00 1.83 1.83 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 132 G 7.56 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 0.00 0.00 0.00 133 S 7.76 4.18 0.00 3.91 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 0.00 134 S 7.68 4.37 0.00 3.99 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 0.00 135 L 7.44 4.53 0.00 1.73 1.75 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.65 4.72 0.00 4.05 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 0.00 137 D 9.01 4.53 0.00 2.73 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 0.00 138 R 7.58 4.82 0.00 1.89 1.79 0.00 3.29 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 139 V 8.02 4.39 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 0.70 0.00 0.00 0.45 0.00 0.00 140 G 8.64 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 0.00 141 I 7.80 4.77 1.71 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 0.51 0.00 0.00 142 R 8.95 4.50 0.00 1.44 1.65 0.00 2.96 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 143 L 8.20 5.06 0.00 1.43 1.54 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.28 4.57 0.00 3.77 3.69 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 0.00 0.00 0.00 0.00 145 S 8.66 4.33 0.00 4.01 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 0.00 146 E 8.16 4.39 0.00 1.97 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 2.29 2.39 0.00 147 A 7.42 4.45 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 0.00 148 P 0.00 4.52 0.00 2.22 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 149 A 8.89 4.26 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 0.00 150 L 8.49 4.51 0.00 1.38 1.22 0.65 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.91 5.07 0.00 3.04 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 0.00 152 Q 8.67 4.77 0.00 1.86 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 153 F 8.93 5.06 0.00 3.10 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 0.00 154 D 8.82 5.21 0.00 2.60 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 0.00 155 L 8.25 4.52 0.00 1.68 1.62 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.68 3.70 0.00 1.71 1.76 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 157 S 8.80 3.68 0.00 3.96 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 0.00 158 G 7.13 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 0.00 159 F 7.02 5.01 0.00 3.09 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 0.00 160 L 8.95 4.83 0.00 1.77 1.67 0.73 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.87 5.01 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.58 0.00 0.00 0.00 0.00 0.00 2.00 2.30 0.00 162 F 9.15 4.89 0.00 3.07 2.98 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 0.00 163 F 9.16 5.07 0.00 2.95 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 0.00 164 L 9.14 4.83 0.00 1.79 1.67 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.77 4.52 1.16 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 0.00 166 P 0.00 3.86 0.00 1.73 1.36 0.00 3.65 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 167 K 7.77 3.91 0.00 1.61 1.65 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 168 F 8.13 4.43 0.00 2.97 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 0.00 169 N 8.08 4.62 0.00 2.70 2.67 0.00 0.00 6.74 7.56 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 * Residues marked with a * may have inaccurate shift predictions.