NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.4022 8.1832 117.5812 52.3169 38.8931 174.9876 2 L 4.1014 8.1355 117.7750 56.9949 41.4693 178.8862 3 F 4.1351 9.2066 121.8047 61.4988 39.6161 176.7987 4 Q 4.1339 8.5537 117.5946 58.8386 28.5943 177.9479 5 F 4.4476 8.4400 121.5108 61.5780 39.2267 177.0963 6 A 3.6959 8.1810 120.1312 55.1931 18.1819 179.8421 7 R 3.8358 7.7541 116.0998 59.5649 29.9779 179.2094 8 M 4.4331 8.4418 118.8455 58.6578 31.9047 178.9404 9 I 3.7638 7.7627 119.9187 64.4567 37.1652 178.3256 10 N 4.4309 8.5647 117.8340 55.9794 38.1052 177.5869 11 G 3.2482 8.1122 106.2256 46.3951 0.0000 175.1414 12 K 4.3440 7.6062 121.0301 58.3372 32.9173 177.7048 13 L 4.5457 8.4340 116.6922 52.8331 42.9866 176.3897 14 G 3.9433 7.6095 107.8926 44.0720 0.0000 173.2045 *16 A 3.9985 8.1988 124.1770 52.9189 19.8177 177.3681 17 F 4.6337 8.3646 116.8626 58.5839 37.6569 177.6986 18 S 4.2903 8.3003 117.5404 61.1952 62.4050 176.5081 19 V 3.4679 9.0071 123.3253 64.6885 30.6064 178.3051 20 W 4.4494 6.8666 116.6051 58.7571 28.9292 177.3353 21 N 4.4392 8.0523 115.3838 54.5009 38.0135 175.4548 22 Y 4.5718 7.5848 116.6325 57.4818 39.2743 176.3935 23 I 3.9480 7.7977 122.5521 64.4440 37.5945 175.4779 24 S 4.9603 7.8527 113.9218 58.1883 63.1138 172.2898 25 Y 4.6850 9.2451 129.4576 56.9509 42.4208 175.4007 26 G 3.6690 7.9130 116.0004 46.6882 0.0000 172.9464 27 C 4.5272 9.9608 116.6735 57.4780 41.1006 174.6575 28 Y 4.3775 9.1351 115.4828 57.8594 40.0620 175.2175 29 C 4.7887 8.9695 119.0934 57.3859 42.0236 172.7209 30 G 4.8708 8.5027 113.1060 47.5084 0.0000 174.5118 31 W 4.5585 9.2347 119.6272 57.0948 30.0852 177.2399 32 G 4.0029 7.6891 111.1834 44.9561 0.0000 175.0091 33 G 4.0963 10.0921 112.4063 44.6926 0.0000 172.4269 34 Q 4.5057 7.1347 115.6168 55.5639 31.6661 175.0188 35 G 4.2337 8.7422 104.0818 46.1394 0.0000 172.1067 36 T 4.8084 8.2504 117.3504 60.7344 70.7051 172.2392 37 P 4.5393 0.0000 0.0000 63.2861 31.7722 176.6117 38 K 3.9270 8.9283 122.8932 59.2201 32.3549 176.0370 39 D 4.4867 7.4288 115.6356 51.3675 41.9307 175.5659 40 A 4.0209 8.7402 119.9542 55.8944 17.9355 179.7557 41 T 3.9770 8.0204 112.4170 66.9514 68.9084 175.7597 42 D 4.7184 8.9648 120.1903 57.5545 41.1828 178.2965 43 R 4.0012 8.3722 119.2313 59.5528 29.9924 177.6784 44 C 4.2379 8.5830 116.6024 60.2739 39.8007 175.5710 45 C 4.4039 8.5154 117.9988 59.9331 40.1483 175.7639 46 F 3.5550 8.1846 121.7579 61.2005 38.8981 177.1747 47 V 3.4470 8.1369 118.0190 66.1194 31.3193 177.2699 48 H 3.7406 8.1891 117.9994 59.3585 29.6338 176.8754 49 D 4.1954 8.1223 120.7364 57.6118 40.7240 178.2108 50 C 4.1266 7.9568 117.1637 59.8817 39.8636 175.4215 51 C 4.1432 7.8404 119.4746 59.9060 43.7649 174.9200 52 Y 4.4040 8.2839 118.9373 61.0874 37.1825 178.7844 53 G 3.7781 8.1329 105.8917 47.5610 0.0000 175.3100 54 G 3.7320 7.6236 105.2730 45.0369 0.0000 174.2663 55 V 3.7702 7.1599 121.5575 62.5262 32.0938 175.2219 56 K 4.4295 8.3434 125.2259 54.8177 34.8127 176.9598 *58 G 3.9044 8.5281 110.1654 44.9891 0.0000 172.5764 59 C 4.5133 7.4039 117.9319 54.7984 45.6199 172.6383 *61 N 5.0579 8.3906 120.7107 53.2689 38.7464 172.8068 *68 P 4.0998 0.0000 0.0000 62.0856 33.0208 179.2038 69 K 4.0259 7.8822 118.9804 58.4077 32.2088 177.9565 70 L 4.5527 7.5800 115.5597 54.5006 43.9990 176.6369 71 A 4.0203 8.1772 122.6518 51.9344 18.6649 176.6261 72 I 4.2268 8.2453 124.0497 59.5975 38.5659 175.1866 73 Y 4.6435 7.4771 124.1199 55.4675 40.1403 174.4307 74 S 4.9913 9.7690 115.6016 57.2936 63.7129 172.4599 75 Y 5.4590 8.5217 123.9058 56.7391 41.0912 173.0674 76 S 4.2868 8.8301 113.6944 57.7364 67.0217 172.8613 77 F 5.1459 8.8151 118.6690 55.9134 40.8513 175.8912 78 Q 4.4147 9.4166 122.5121 54.9218 31.0351 176.1157 79 R 3.7335 9.8457 124.7431 57.2868 27.5451 177.4948 80 G 4.0317 8.3540 103.8719 45.3271 0.0000 172.4018 81 N 4.8329 8.0416 119.2626 51.6779 40.3176 173.7060 82 I 3.6330 8.0951 126.4959 61.0980 38.0920 175.4885 83 V 4.2351 8.8170 127.5003 60.8068 33.9393 174.0146 84 C 4.6093 8.8327 126.4107 57.2463 40.3155 174.8695 85 G 4.0082 9.1618 117.0628 46.2413 0.0000 172.9678 86 R 4.2060 8.5224 118.8217 55.3846 30.7119 175.4369 *88 N 5.2521 8.4101 118.2769 53.3739 39.6221 173.6210 89 N 4.8518 8.5709 119.9406 52.7295 41.7183 176.1616 90 G 3.8802 8.2273 109.4355 46.8937 0.0000 176.3978 91 C 4.3771 8.7114 117.8505 57.7800 41.4415 175.8804 92 L 3.8829 7.6634 119.7215 57.5009 41.0374 179.3884 93 R 3.8097 7.8541 118.3715 59.7429 29.9784 178.7520 94 T 3.8350 7.7629 115.0567 66.5526 68.4661 176.6664 95 I 3.6635 8.0204 122.1436 64.4819 37.1744 177.6094 96 C 2.8114 8.1060 119.6300 59.0378 42.1055 175.2477 97 E 3.6903 7.9623 120.7892 59.3251 29.2483 177.8060 98 C 3.9418 8.1691 116.8469 60.3272 37.1025 176.0556 99 D 3.5070 7.6819 119.8995 57.0422 40.3688 178.7769 100 R 3.7113 7.6736 119.0606 59.4734 29.9945 178.7650 101 V 3.4516 7.6054 117.6724 65.8212 31.4271 177.9040 102 A 3.5606 7.7774 120.3261 54.8639 18.1679 179.4523 103 A 3.6391 8.3115 119.6749 55.2771 18.3943 179.5270 104 N 4.2657 8.6075 115.3090 56.6150 38.6178 176.7584 105 C 4.2682 8.3140 120.2071 59.6498 43.4707 175.6133 106 F 4.5172 7.8791 118.6435 60.9573 38.6505 176.7503 107 H 4.3417 8.4205 117.8492 59.4507 29.4697 177.1067 108 Q 4.0669 8.4328 120.5406 58.3263 29.0604 177.0131 109 N 4.9963 7.8566 115.4071 52.6849 39.1772 176.5406 110 K 4.0213 7.8446 123.7296 60.2034 32.5671 178.4125 111 N 4.6657 8.2034 114.4416 54.6292 38.6264 175.2724 112 T 4.5549 7.7287 107.3080 61.0003 69.4117 173.6007 113 Y 3.8876 7.8151 123.9532 58.1219 39.1832 174.7838 114 N 4.8375 9.1062 126.7004 51.4866 39.8460 174.9210 115 K 4.1786 8.8184 126.6962 59.6658 32.2653 178.5905 116 E 4.0916 8.7082 116.2246 57.7092 29.3972 176.8046 117 Y 4.5024 7.7733 116.9037 57.5741 38.8216 176.0223 118 K 4.1241 7.2931 120.0796 57.3032 32.5752 176.5092 119 F 4.2729 7.8545 118.6200 57.6673 36.9156 176.0544 120 L 4.2401 7.9544 119.4925 54.4410 42.5622 177.7298 121 S 4.4371 8.4862 117.5644 57.6920 64.0665 175.2861 122 S 4.1230 8.6823 116.8560 60.8867 62.7193 176.0313 *124 S 4.4535 7.8866 114.4402 58.2401 64.4357 174.6062 125 K 4.3504 8.0048 118.2166 57.2360 31.8361 176.0881 126 C 5.0959 8.0805 117.7388 56.9908 41.0433 174.8127 127 R 4.4199 7.9818 114.6023 56.3271 30.6284 176.8831 128 Q 4.4064 7.8035 116.3987 54.6305 30.9361 174.9632 129 R 3.9852 8.6812 120.9228 57.0408 30.3834 176.2490 130 S 4.6932 8.7570 122.7365 57.9239 63.4551 174.2682 131 E 3.9742 8.9862 125.5528 56.3861 30.0420 175.7304 132 Q 4.6463 8.3448 126.1162 54.5245 30.8331 175.9621 133 C 4.5486 8.6982 119.1443 57.4588 41.1954 173.7736 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 N 8.18 5.40 0.00 3.13 3.05 0.00 0.00 6.13 5.79 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 2 L 8.14 4.10 0.00 1.86 1.92 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.21 4.14 0.00 3.19 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 4 Q 8.55 4.13 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 5 F 8.44 4.45 0.00 3.28 3.24 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 6 A 8.18 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.75 3.84 0.00 2.19 2.19 0.00 3.14 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 8 M 8.44 4.43 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 9 I 7.76 3.76 1.73 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.81 0.00 0.00 10 N 8.56 4.43 0.00 2.61 2.74 0.00 0.00 6.92 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.61 4.34 0.00 2.07 1.91 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.43 1.50 7.81 13 L 8.43 4.55 0.00 1.72 1.73 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.61 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 *16 A 8.20 4.00 0.63 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 0.00 0.00 17 F 8.36 4.63 0.00 3.37 3.28 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 18 S 8.30 4.29 0.00 3.94 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 19 V 9.01 3.47 1.74 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 -0.56 0.00 0.00 0.46 0.00 0.00 20 W 6.87 4.45 0.00 3.43 3.37 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 21 N 8.05 4.44 0.00 2.05 1.67 0.00 0.00 6.76 7.03 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 22 Y 7.58 4.57 0.00 2.66 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 23 I 7.80 3.95 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.31 1.22 0.00 0.00 24 S 7.85 4.96 0.00 4.13 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 25 Y 9.25 4.69 0.00 2.83 2.63 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 26 G 7.91 3.67 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 0.00 0.00 0.00 27 C 9.96 4.53 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.14 4.38 0.00 3.14 3.12 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 29 C 8.97 4.79 0.00 3.41 3.24 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 30 G 8.50 4.87 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 0.00 0.00 0.00 31 W 9.23 4.56 0.00 3.39 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 32 G 7.69 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 0.00 0.00 0.00 33 G 10.09 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 34 Q 7.13 4.51 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.14 2.50 0.00 35 G 8.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.25 4.81 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 1.16 0.00 0.00 37 P 0.00 4.54 0.00 1.91 2.01 0.00 3.54 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 1.37 1.74 0.00 38 K 8.93 3.93 0.00 0.92 0.74 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 0.68 7.81 39 D 7.43 4.49 0.00 2.88 2.83 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 40 A 8.74 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 41 T 8.02 3.98 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 0.98 0.00 0.00 42 D 8.96 4.72 0.00 3.01 2.83 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 43 R 8.37 4.00 0.00 1.91 2.10 0.00 3.14 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 44 C 8.58 4.24 0.00 3.38 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.52 4.40 0.00 3.47 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 3.56 0.00 2.75 3.10 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 47 V 8.14 3.45 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 0.95 0.00 0.00 1.06 0.00 0.00 48 H 8.19 3.74 0.00 3.14 3.35 0.00 5.64 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 49 D 8.12 4.20 0.00 2.60 2.57 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 0.00 50 C 7.96 4.13 0.00 2.83 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 51 C 7.84 4.14 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.28 4.40 0.00 3.06 2.80 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 53 G 8.13 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 0.00 0.00 0.00 54 G 7.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.16 3.77 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 0.71 0.00 0.00 0.98 0.00 0.00 56 K 8.34 4.43 0.00 1.75 1.63 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.31 7.81 *58 G 8.53 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 59 C 7.40 4.51 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 N 8.39 5.06 0.00 2.73 2.71 0.00 0.00 7.66 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 *68 P 0.00 4.10 0.00 1.00 0.75 0.00 3.43 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.67 0.00 69 K 7.88 4.03 0.00 1.82 1.98 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 70 L 7.58 4.55 0.00 1.60 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.18 4.02 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 72 I 8.25 4.23 1.81 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 1.35 0.76 0.83 0.00 0.00 73 Y 7.48 4.64 0.00 3.24 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 74 S 9.77 4.99 0.00 3.96 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 75 Y 8.52 5.46 0.00 3.02 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 76 S 8.83 4.29 0.00 3.86 3.86 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 0.00 0.00 0.00 77 F 8.82 5.15 0.00 2.89 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 78 Q 9.42 4.41 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.24 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 79 R 9.85 3.73 0.00 1.93 1.97 0.00 3.25 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 80 G 8.35 4.03 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 0.00 81 N 8.04 4.83 0.00 2.81 2.81 0.00 0.00 7.08 8.42 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 82 I 8.10 3.63 1.68 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 0.48 0.41 0.68 0.00 0.00 83 V 8.82 4.24 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 0.96 0.00 0.00 0.92 0.00 0.00 84 C 8.83 4.61 0.00 2.81 2.93 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 85 G 9.16 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.52 4.21 0.00 2.01 2.08 0.00 3.00 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 *88 N 8.41 5.25 0.00 2.76 2.86 0.00 0.00 7.24 8.00 0.00 0.00 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 N 8.57 4.85 0.00 2.74 2.71 0.00 0.00 7.02 7.96 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 90 G 8.23 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 0.00 0.00 0.00 91 C 8.71 4.38 0.00 3.08 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 92 L 7.66 3.88 0.00 1.90 1.87 0.96 0.78 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 93 R 7.85 3.81 0.00 2.06 2.10 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 94 T 7.76 3.84 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 95 I 8.02 3.66 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 1.00 0.00 0.00 96 C 8.11 2.81 0.00 2.15 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.96 3.69 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 2.21 2.28 0.00 98 C 8.17 3.94 0.00 3.11 2.80 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 99 D 7.68 3.51 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.71 0.00 1.69 1.91 0.00 3.14 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 101 V 7.61 3.45 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 0.91 0.00 0.00 0.90 0.00 0.00 102 A 7.78 3.56 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.31 3.64 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.61 4.27 0.00 2.79 2.85 0.00 0.00 6.67 7.53 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 0.00 105 C 8.31 4.27 0.00 2.98 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 0.00 106 F 7.88 4.52 0.00 3.07 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 0.00 107 H 8.42 4.34 0.00 3.26 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.43 4.07 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 109 N 7.86 5.00 0.00 2.88 2.87 0.00 0.00 6.66 7.50 0.00 0.00 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 K 7.84 4.02 0.00 1.89 2.24 0.00 1.29 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.42 7.81 111 N 8.20 4.67 0.00 2.77 2.94 0.00 0.00 6.70 7.54 0.00 0.00 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 T 7.73 4.55 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 113 Y 7.82 3.89 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.11 4.84 0.00 2.74 2.69 0.00 0.00 6.75 6.55 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 0.00 115 K 8.82 4.18 0.00 1.89 1.90 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.73 7.81 116 E 8.71 4.09 0.00 1.57 1.74 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 2.23 2.23 0.00 117 Y 7.77 4.50 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.29 4.12 0.00 1.67 0.74 0.00 2.04 0.00 0.00 1.69 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.42 7.81 119 F 7.85 4.27 0.00 3.24 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 0.00 120 L 7.95 4.24 0.00 1.65 1.61 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.49 4.44 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.68 4.12 0.00 4.03 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 0.00 *124 S 7.89 4.45 0.00 4.03 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 0.00 125 K 8.00 4.35 0.00 1.79 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.58 7.81 126 C 8.08 5.10 0.00 3.02 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 0.00 127 R 7.98 4.42 0.00 1.79 1.93 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 128 Q 7.80 4.41 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 129 R 8.68 3.99 0.00 1.81 1.92 0.00 3.31 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 130 S 8.76 4.69 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.99 3.97 0.00 1.69 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 132 Q 8.34 4.65 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 133 C 8.70 4.55 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.