NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 G 3.9102 8.3549 109.7378 44.9301 0.0000 173.8850 -8 R 4.3285 7.7216 118.5776 54.8135 31.5447 172.1229 -7 E 4.6894 9.0314 118.8433 55.0657 34.3563 175.4911 -6 N 4.7117 8.6359 119.5443 52.0949 37.8561 174.6008 -5 L 4.6608 8.2642 121.7776 54.3978 43.4510 176.3739 -4 Y 4.5217 7.5698 116.2026 56.0836 39.8195 174.7870 -3 F 4.6026 8.2716 121.5220 56.2322 43.1910 172.6978 -5 S 4.7908 8.4142 115.6776 57.5978 64.8510 173.3739 -4 I 4.1417 7.4498 115.8026 59.2836 40.8195 175.2870 -3 P 4.4026 0.0000 0.0000 61.8322 35.6910 174.1978 7 T 4.5008 7.9526 116.7107 61.9483 70.5364 173.5587 8 L 4.4993 8.6522 127.5688 53.5777 43.7520 176.0982 9 R 5.0277 8.4809 121.2812 54.8256 32.4420 175.5280 10 T 4.7406 8.3109 114.3066 59.5367 71.6721 172.9355 11 E 4.0597 9.0076 121.0456 59.5282 29.5607 178.4186 12 R 4.5746 8.9583 115.1411 55.6878 32.0059 175.2302 13 L 5.2207 7.7871 117.2372 53.0028 46.3883 175.3928 14 T 4.8447 8.8025 117.7141 61.8042 71.5744 173.1851 15 L 4.9798 9.3048 127.5364 53.0302 43.2657 175.7346 16 R 4.8630 8.1165 119.4629 53.1757 33.5922 173.0243 17 P 4.1587 0.0000 0.0000 62.0863 31.8767 176.7997 18 L 4.3014 8.1227 120.9428 55.3590 43.3061 175.9878 19 A 4.5843 8.8351 126.1433 51.9397 18.9385 180.0957 *21 A 4.3406 8.7934 122.4807 54.6443 20.3255 178.5046 22 D 4.7061 8.3906 115.3358 56.3073 40.8997 178.5062 23 F 3.7190 8.2364 121.5775 60.5101 39.3527 174.9089 24 P 4.0554 0.0000 0.0000 65.6656 31.2230 178.4719 25 A 3.7687 7.8525 118.9305 54.9567 18.0639 178.8627 26 Y 4.2140 7.4842 118.3264 60.3479 38.9690 178.0445 27 R 3.7483 7.6222 118.8071 59.2212 30.1814 177.5810 28 D 4.5183 7.7602 117.8499 57.4551 41.1070 179.4774 29 F 4.1483 7.8677 116.6349 59.0764 38.8832 176.1927 *31 A 4.4152 7.9361 119.8750 50.9868 20.4687 177.5510 32 S 4.6682 7.3215 110.6675 55.8897 65.1737 173.6566 33 P 4.2122 0.0000 0.0000 65.4659 30.6338 178.8795 34 R 3.9668 7.3393 116.7863 59.1076 30.3369 178.1035 35 S 4.0291 7.4523 111.6722 59.1418 63.2627 175.9776 36 T 4.4084 7.2468 122.3813 66.1740 68.0069 175.7706 37 G 3.9018 8.0426 106.9035 46.9997 0.0000 174.0785 38 V 4.3576 7.7701 112.9328 61.1432 32.2960 176.5525 39 G 3.8894 8.2944 107.2572 45.4574 0.0000 174.8551 40 G 3.6356 8.1719 109.5571 42.4458 0.0000 171.7942 41 P 4.5281 0.0000 0.0000 62.5577 32.0574 174.8978 42 Y 4.7392 7.9881 115.9309 55.8208 41.0570 176.1488 43 D 4.7892 8.4462 122.5740 52.4052 42.2505 177.2852 44 L 4.0875 8.3545 119.7706 58.0352 42.0506 176.7153 45 P 4.4427 0.0000 0.0000 65.9182 31.2199 178.7846 46 S 4.2365 8.8961 114.1199 61.8578 62.7477 176.8340 47 T 4.0087 8.3232 118.5217 66.4611 68.1707 176.4672 48 W 4.5784 9.0406 130.7575 60.5055 30.6709 178.1748 49 G 3.6003 8.6083 105.9669 47.8784 0.0000 175.7899 50 V 3.6462 8.1565 121.1250 65.6147 31.5498 177.8176 51 F 4.1165 8.5858 120.4404 61.5787 39.2306 176.9535 52 C 3.7565 7.9875 116.5538 62.7125 27.8197 175.4385 53 H 4.1496 8.4191 120.1342 59.4555 29.4217 176.9036 54 D 4.2808 8.5259 120.9840 57.2107 40.5258 178.7302 55 L 3.9134 7.4639 119.9060 58.0922 42.2717 178.8500 56 A 3.7324 8.3238 120.7895 54.8220 18.1728 179.1118 57 N 4.4084 8.1372 115.3610 56.2816 38.4980 177.3763 58 W 4.2465 7.7113 121.3100 59.5062 28.9962 177.9426 59 H 4.0529 8.0264 116.0318 59.2809 29.3648 176.7187 60 F 4.4804 7.4713 118.3330 59.3618 38.8905 176.4016 61 F 4.8651 8.3181 113.9700 56.1279 40.8348 176.0937 62 G 4.1577 9.6102 108.5168 45.6301 0.0000 172.4813 63 H 3.5513 6.8680 113.6440 53.1993 31.9923 173.0773 64 G 3.2777 5.9309 104.2778 45.2144 0.0000 171.6785 65 A 4.9467 8.1352 122.2330 50.9764 20.1518 178.1431 66 L 4.8964 9.0182 121.5794 52.8497 46.4208 177.0543 *68 I 4.1582 8.3228 125.5668 62.4868 38.6399 174.4080 69 D 5.3269 8.9416 127.3046 52.1809 44.1979 175.8117 70 L 3.8845 8.7601 122.8547 54.3782 42.3756 177.0411 71 G 3.6561 8.8058 115.3555 47.3732 0.0000 173.5582 72 E 4.4966 8.7392 124.0718 56.1981 29.4994 176.7151 73 T 3.9915 7.8496 110.8987 62.2149 69.2416 176.1558 74 G 3.7883 8.1646 108.9202 45.4650 0.0000 172.8118 75 E 4.0535 7.9769 122.1221 55.5145 29.5737 175.0911 76 C 5.0542 8.8931 127.1100 57.9778 32.3890 172.8516 77 I 4.4307 9.8234 119.4432 59.5532 38.8496 176.1505 78 G 3.0180 6.6258 106.9323 46.1854 0.0000 170.9646 79 Q 4.7527 7.8037 121.0350 54.9191 33.1459 174.6158 80 I 5.1107 8.7885 124.8797 59.6139 41.7635 174.1401 81 G 4.4272 8.9903 113.2793 45.5293 0.0000 171.7243 82 I 4.9334 8.0597 121.4607 59.2521 40.1289 174.5481 83 N 4.8931 8.7413 124.3209 51.9847 41.1642 173.9384 84 H 4.5240 8.9467 121.4792 55.8293 32.3922 171.9244 85 G 4.0839 7.9306 104.6114 44.0725 0.0000 171.8946 86 P 4.3863 0.0000 0.0000 64.8572 31.1698 176.8735 87 L 4.2776 7.9714 117.0919 54.5462 42.1611 176.0128 88 F 4.7055 8.1160 117.7297 54.8452 40.8338 173.2080 89 P 4.4780 0.0000 0.0000 64.8837 31.4245 176.5274 90 E 4.8192 8.2492 115.0447 53.7533 33.7039 175.2301 91 K 4.0061 8.3001 119.8812 56.9339 33.3161 175.6229 92 E 4.9492 8.7153 125.3767 54.2010 32.8662 173.8612 93 L 4.9363 9.2238 129.9643 54.0739 43.1343 175.7905 94 G 4.2068 9.2368 113.0355 44.4263 0.0000 170.9633 95 W 5.9720 7.5689 116.2160 55.2554 31.3447 173.7335 96 L 4.7936 9.0298 120.0094 54.6670 43.5458 174.2308 97 L 4.9584 8.2500 119.8710 53.0453 44.5969 176.1187 98 Y 4.7938 8.6240 120.8344 57.2975 39.5573 174.9539 99 E 4.1174 8.9550 122.1673 58.0847 30.0241 177.1432 100 G 4.0136 9.2337 113.7797 45.6839 0.0000 173.3488 101 H 4.9664 7.5472 113.7235 55.3935 29.1839 174.0819 102 E 4.1516 7.9614 120.1746 57.2589 29.9544 177.7405 103 G 3.7085 8.7608 107.3168 46.0779 0.0000 174.2489 104 R 4.1481 7.0291 117.0477 55.2468 30.7282 176.5748 105 G 3.8325 7.9441 105.3816 46.7936 0.0000 175.6648 106 Y 4.3345 7.5572 119.3691 60.7211 37.7504 178.0242 107 A 3.8229 7.9573 121.0135 55.1050 18.5226 179.3508 108 A 3.5238 7.6417 118.7679 55.0375 18.4478 179.3174 109 E 3.7805 8.1386 117.6053 59.3476 29.7774 178.9539 110 A 3.9135 8.1608 120.7670 54.9930 18.3736 179.4793 111 A 3.8033 8.0521 119.6790 55.1758 18.3113 179.9374 112 V 3.3911 7.9629 116.9447 66.0022 31.5622 178.1181 113 A 3.9658 7.7137 119.9267 55.2143 18.2364 179.4464 114 L 3.9874 7.9603 118.8861 57.9173 42.1438 178.7675 115 R 3.5561 8.1925 119.2187 59.6494 29.8690 178.2064 116 D 4.4604 8.3720 118.7186 57.1123 40.8561 178.4767 117 W 4.1211 8.4378 128.6539 60.4938 30.7942 177.8828 118 A 3.8091 8.4136 120.6757 55.2530 17.7535 179.7096 119 F 4.5139 8.0603 116.3409 60.5182 38.7038 177.8370 120 E 3.9920 8.3152 117.6960 59.3179 29.6452 178.1340 121 T 3.9130 7.7049 114.1530 65.4321 68.8288 175.9685 122 L 4.1472 7.1243 117.9829 54.1710 42.1323 176.2863 123 N 4.6643 7.9769 113.8771 52.9002 36.0468 174.3259 124 L 4.1734 8.1073 117.4628 54.3688 42.1843 176.1854 125 P 4.3645 0.0000 0.0000 65.4980 31.6908 175.4961 126 T 4.6029 7.5894 111.1011 61.7292 70.1976 171.2102 127 L 4.7841 8.0928 123.6325 54.1410 46.0006 174.1376 128 V 4.9974 8.6393 117.2938 59.6940 36.5900 174.4711 129 S 4.8929 8.9557 117.2622 57.0824 66.6384 173.0530 130 Y 5.1970 8.9471 123.0688 57.1777 38.8641 175.3367 131 V 4.6448 8.9732 124.4153 60.7034 35.2340 175.0918 132 S 4.7721 9.0468 121.9033 57.0070 63.5472 173.3651 133 P 4.3784 0.0000 0.0000 64.7654 31.1526 176.8151 134 Q 4.2828 7.8566 115.7669 56.8514 29.7180 175.8979 135 N 4.6683 8.1230 118.9469 52.9099 37.5527 175.2622 136 R 4.0462 8.3996 123.7751 58.6463 30.5740 178.3810 137 K 4.0438 8.0693 117.8378 59.7423 32.0802 179.4837 138 S 4.5567 8.6543 115.1923 61.5032 62.7788 176.4437 139 A 3.8536 8.0706 122.8860 55.1778 18.0900 179.5641 140 A 3.9502 8.2374 119.2082 55.2004 18.4503 180.0513 141 V 3.3544 7.8188 116.2262 66.0744 31.5549 177.9572 142 A 4.1890 8.3509 120.8392 55.3984 18.1179 179.2782 143 E 4.1906 8.0150 118.9888 58.6649 29.4614 178.8769 144 R 3.9356 7.9335 118.4956 59.2605 30.1963 177.7382 145 I 4.1554 7.3478 109.5844 61.1561 37.6756 176.4489 146 G 4.0603 8.0253 108.3674 45.2161 0.0000 174.4015 147 G 3.8147 8.7815 107.9476 46.3742 0.0000 172.9992 148 T 5.0276 8.6162 116.4275 59.5104 70.9591 173.1824 149 L 4.0619 8.5376 127.7722 55.1769 42.6458 176.6413 150 D 4.7210 8.9562 123.1131 51.5277 41.9555 174.3208 151 P 4.3855 0.0000 0.0000 64.1009 31.6669 177.4407 152 L 4.3146 7.8075 116.6029 54.9424 42.2295 177.0356 153 A 4.1705 7.6685 122.7478 51.0728 18.8377 175.7706 154 P 4.5359 0.0000 0.0000 62.9933 32.2091 175.8916 155 R 4.2011 7.6756 112.7668 55.5042 31.5105 175.2559 156 S 4.0168 8.2142 116.5689 60.3934 63.4239 173.8016 157 D 4.7286 7.5373 120.2388 51.5365 41.7113 174.7561 158 P 4.2299 0.0000 0.0000 65.2697 31.4337 177.2026 159 E 4.3309 8.3241 115.5991 56.8946 30.3073 176.3497 160 D 4.6532 7.9472 119.8810 54.2912 42.2106 175.6876 161 L 4.6764 9.0360 121.5216 53.7738 44.2747 175.9315 162 V 4.7953 7.9936 120.4363 61.5102 34.4012 173.8078 163 Y 4.7186 8.8244 126.3486 57.0591 39.7290 174.6230 164 R 4.8557 8.8929 123.9376 54.6590 32.9088 173.8271 165 Y 5.4542 8.9547 123.4337 56.5852 40.9945 174.6725 166 H 4.8908 8.3334 116.9953 54.3098 31.9914 173.2874 167 Q 3.3925 7.8846 117.3256 56.6944 29.6648 173.4160 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 -9 G 8.35 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 -8 R 7.72 4.33 0.00 1.90 1.87 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 -7 E 9.03 4.69 0.00 1.92 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 2.22 2.33 0.00 -6 N 8.64 4.71 0.00 2.76 2.67 0.00 0.00 6.85 7.85 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 -5 L 8.26 4.66 0.00 1.55 1.56 0.94 0.96 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 -4 Y 7.57 4.52 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 -3 F 8.27 4.60 0.00 2.97 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 -5 S 8.41 4.79 0.00 3.82 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 -4 I 7.45 4.14 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 0.45 0.91 0.00 0.00 -3 P 0.00 4.40 0.00 2.12 1.88 0.00 2.20 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 1.91 2.05 0.00 7 T 7.95 4.50 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 1.16 0.00 0.00 8 L 8.65 4.50 0.00 1.45 1.48 0.63 0.60 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 9 R 8.48 5.03 0.00 1.64 1.79 0.00 3.12 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 10 T 8.31 4.74 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 1.17 0.00 0.00 11 E 9.01 4.06 0.00 1.95 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 0.00 2.31 2.36 0.00 12 R 8.96 4.57 0.00 2.01 1.95 0.00 3.31 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 13 L 7.79 5.22 0.00 1.50 1.37 0.86 0.04 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 14 T 8.80 4.84 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 1.14 0.00 0.00 15 L 9.30 4.98 0.00 1.41 1.49 0.85 0.62 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 R 8.12 4.86 0.00 1.75 1.87 0.00 2.95 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 17 P 0.00 4.16 0.00 1.89 1.74 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 18 L 8.12 4.30 0.00 1.33 1.23 0.81 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.84 4.58 0.99 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 *21 A 8.79 4.34 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 22 D 8.39 4.71 0.00 3.24 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 23 F 8.24 3.72 0.00 2.79 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 24 P 0.00 4.06 0.00 2.17 2.06 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 25 A 7.85 3.77 1.06 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 0.00 0.00 26 Y 7.48 4.21 0.00 3.20 2.95 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 27 R 7.62 3.75 0.00 0.82 1.70 0.00 3.33 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 28 D 7.76 4.52 0.00 2.72 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 29 F 7.87 4.15 0.00 3.10 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 *31 A 7.94 4.42 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 32 S 7.32 4.67 0.00 3.94 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 33 P 0.00 4.21 0.00 2.13 2.10 0.00 3.55 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 2.07 2.13 0.00 34 R 7.34 3.97 0.00 1.60 1.92 0.00 3.35 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 35 S 7.45 4.03 0.00 3.87 3.40 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 36 T 7.25 4.41 4.20 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 1.17 0.00 0.00 37 G 8.04 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 38 V 7.77 4.36 2.26 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 0.85 0.00 0.00 1.31 0.00 0.00 39 G 8.29 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 40 G 8.17 3.64 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 0.00 0.00 0.00 41 P 0.00 4.53 0.00 2.09 2.15 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 42 Y 7.99 4.74 0.00 3.01 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 43 D 8.45 4.79 0.00 3.01 2.89 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 44 L 8.35 4.09 0.00 1.86 1.78 1.17 0.94 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 45 P 0.00 4.44 0.00 2.30 2.20 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 46 S 8.90 4.24 0.00 4.12 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 47 T 8.32 4.01 4.70 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 1.46 0.00 0.00 48 W 9.04 4.58 0.00 3.41 3.33 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 49 G 8.61 3.60 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 0.00 0.00 0.00 50 V 8.16 3.65 2.26 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 1.07 0.00 0.00 0.88 0.00 0.00 51 F 8.59 4.12 0.00 3.41 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 52 C 7.99 3.76 0.00 2.77 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 53 H 8.42 4.15 0.00 3.31 3.60 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.53 4.28 0.00 2.61 2.55 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 55 L 7.46 3.91 0.00 1.31 1.51 0.77 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.32 3.73 1.07 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 0.00 0.00 57 N 8.14 4.41 0.00 2.63 2.99 0.00 0.00 6.86 7.13 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 58 W 7.71 4.25 0.00 3.42 3.22 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 59 H 8.03 4.05 0.00 2.88 2.88 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.47 4.48 0.00 2.22 1.65 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 61 F 8.32 4.87 0.00 2.67 2.79 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 0.00 0.00 0.00 62 G 9.61 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 63 H 6.87 3.55 0.00 2.99 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 5.93 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.20 0.00 0.00 74 G 8.16 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.98 4.05 0.00 2.04 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 2.31 2.28 0.00 76 C 8.89 5.05 0.00 3.10 2.95 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 77 I 9.82 4.43 1.50 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.85 0.64 0.00 0.00 78 G 6.63 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 0.00 0.00 0.00 79 Q 7.80 4.75 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 80 I 8.79 5.11 1.89 0.00 0.00 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 1.31 1.23 0.93 0.00 0.00 81 G 8.99 4.43 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 0.00 82 I 8.06 4.93 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.32 0.48 0.00 0.00 83 N 8.74 4.89 0.00 1.44 1.42 0.00 0.00 6.02 8.19 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 84 H 8.95 4.52 0.00 2.49 1.56 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.93 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 86 P 0.00 4.39 0.00 2.21 2.22 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 87 L 7.97 4.28 0.00 1.54 1.45 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.12 4.71 0.00 3.11 3.35 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 89 P 0.00 4.48 0.00 2.15 2.15 0.00 3.57 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 1.88 2.04 0.00 90 E 8.25 4.82 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 116 D 8.37 4.46 0.00 2.83 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 0.00 117 W 8.44 4.12 0.00 3.53 3.42 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 0.00 118 A 8.41 3.81 1.24 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 0.00 0.00 0.00 119 F 8.06 4.51 0.00 3.08 2.95 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 0.00 120 E 8.32 3.99 0.00 1.93 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 2.35 2.49 0.00 121 T 7.70 3.91 2.89 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 0.83 0.00 0.00 122 L 7.12 4.15 0.00 1.73 1.64 1.09 0.83 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 0.00 123 N 7.98 4.66 0.00 2.84 2.89 0.00 0.00 7.31 7.85 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 0.00 124 L 8.11 4.17 0.00 1.82 1.85 0.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.36 0.00 2.20 2.20 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 126 T 7.59 4.60 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 1.30 0.00 0.00 127 L 8.09 4.78 0.00 1.63 1.69 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.64 5.00 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 0.68 0.00 0.00 0.60 0.00 0.00 129 S 8.96 4.89 0.00 3.87 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 0.00 130 Y 8.95 5.20 0.00 2.94 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 0.00 131 V 8.97 4.64 2.34 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 1.06 0.00 0.00 1.06 0.00 0.00 132 S 9.05 4.77 0.00 4.17 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 0.00 133 P 0.00 4.38 0.00 2.22 2.24 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 134 Q 7.86 4.28 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.40 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 135 N 8.12 4.67 0.00 2.79 2.94 0.00 0.00 7.05 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.40 4.05 0.00 1.91 2.01 0.00 3.39 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 137 K 8.07 4.04 0.00 1.91 1.97 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.60 7.81 138 S 8.65 4.56 0.00 4.04 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 0.00 139 A 8.07 3.85 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 0.00 0.00 0.00 0.00 0.00 140 A 8.24 3.95 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 0.00 141 V 7.82 3.35 2.32 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 0.94 0.00 0.00 142 A 8.35 4.19 0.92 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 0.00 143 E 8.02 4.19 0.00 2.15 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 2.36 2.28 0.00 144 R 7.93 3.94 0.00 1.95 1.99 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 145 I 7.35 4.16 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.71 0.73 0.00 0.00 146 G 8.03 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 0.00 0.00 0.00 147 G 8.78 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 0.00 0.00 0.00 148 T 8.62 5.03 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 1.31 0.00 0.00 149 L 8.54 4.06 0.00 1.40 1.38 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.96 4.72 0.00 2.68 2.46 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 0.00 151 P 0.00 4.39 0.00 2.05 2.07 0.00 3.68 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 1.99 2.06 0.00 152 L 7.81 4.31 0.00 1.66 1.71 0.91 0.76 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 0.00 153 A 7.67 4.17 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 0.00 154 P 0.00 4.54 0.00 2.21 2.08 0.00 4.03 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 155 R 7.68 4.20 0.00 1.64 1.85 0.00 3.01 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 156 S 8.21 4.02 0.00 3.60 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 0.00 157 D 7.54 4.73 0.00 2.56 2.59 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 0.00 0.00 0.00 0.00 158 P 0.00 4.23 0.00 2.05 2.09 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 159 E 8.32 4.33 0.00 2.04 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 2.40 0.00 160 D 7.95 4.65 0.00 2.78 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 0.00 161 L 9.04 4.68 0.00 1.67 1.41 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.99 4.80 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 1.10 0.00 0.00 1.17 0.00 0.00 163 Y 8.82 4.72 0.00 2.87 2.55 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 0.00 164 R 8.89 4.86 0.00 1.76 1.68 0.00 3.05 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 165 Y 8.95 5.45 0.00 3.20 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 0.00 166 H 8.33 4.89 0.00 3.06 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 7.88 3.39 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.