NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.5570 8.2649 123.6209 52.3550 20.0887 176.0033 4 I 4.0021 8.8375 120.9313 61.9564 38.9030 175.3579 5 F 5.0248 7.9573 117.5706 55.9097 41.5404 175.6523 6 T 4.4026 9.1772 118.0997 61.5235 69.9055 176.0251 *7 H 4.2449 8.6644 117.5108 57.3254 27.9791 173.7799 8 E 4.3976 8.2773 115.3384 56.3874 29.4278 176.2258 9 G 3.9428 8.2222 106.8542 46.8890 0.0000 173.6721 10 K 5.0156 8.2581 117.3807 54.1427 36.6307 175.4626 11 V 4.8201 8.5869 121.3170 61.1604 33.6960 174.2157 12 E 5.7683 8.8068 124.7355 53.1362 33.1464 175.3921 13 G 3.9309 7.9261 105.8240 46.7912 0.0000 170.4539 14 V 4.4228 7.5455 119.6817 60.6063 32.9583 174.1149 15 P 4.2120 0.0000 0.0000 64.5737 31.5386 175.0991 16 G 3.9975 9.2697 111.2448 45.1848 0.0000 173.3820 17 N 4.9496 8.2165 116.7312 50.9859 40.4801 173.8163 18 Y 4.2851 8.6411 122.3551 57.8610 39.1114 174.5306 19 P 3.0449 0.0000 0.0000 62.9307 31.8489 176.0405 20 L 4.5825 7.9750 120.3750 55.3242 42.3419 176.7917 21 T 4.8326 7.6579 108.3506 60.9158 71.4494 174.0554 22 A 3.8383 8.7400 123.6393 55.4032 18.4725 179.7047 23 E 3.9277 8.1778 117.2592 59.5485 29.7483 178.4317 24 N 4.4196 8.4306 117.1277 56.5730 38.9301 176.9398 25 L 3.9508 8.1315 120.6270 57.5033 41.6020 179.1100 26 F 4.2926 8.4235 120.7350 61.5879 39.2883 177.4995 27 R 3.6705 8.2431 117.5567 59.1108 29.7305 179.1410 28 I 3.7790 8.1196 120.2044 64.2018 37.0662 178.6924 29 G 3.6139 8.2163 106.7590 47.6261 0.0000 175.4339 30 L 3.8830 7.9716 124.1305 57.1924 41.9834 178.9852 31 A 3.9483 8.1903 121.0247 54.9775 18.2897 179.5407 32 L 4.0037 8.2004 117.8900 58.1972 41.7640 179.3626 33 C 3.6994 7.8457 118.4616 62.5947 31.2507 175.6284 34 T 3.8109 7.8763 117.3437 66.4884 68.0096 176.2800 35 L 3.9410 8.3566 122.5574 58.1016 42.1578 179.1252 36 W 3.8960 8.5573 118.8961 59.5783 28.7994 178.7167 37 I 4.1837 7.8432 121.0943 64.0360 36.4715 178.5361 38 L 3.9889 7.9555 118.6327 57.4681 41.6082 177.9322 39 D 4.4044 8.2251 117.4600 56.0208 41.4954 177.0083 40 K 4.1318 7.7174 114.7181 55.3442 32.6120 175.7592 41 E 3.9878 7.7382 116.4408 56.3467 27.0236 175.0617 42 I 4.3364 7.6353 120.3626 59.5436 37.5305 176.6754 43 E 4.0077 8.9732 126.1040 58.8612 29.5639 177.9557 44 E 4.6450 7.6743 117.2208 53.2149 29.8181 173.2327 45 P 4.8184 0.0000 0.0000 62.8700 33.4713 175.2123 46 T 5.1107 9.3043 119.4818 61.7636 71.9818 172.5431 47 L 4.5930 8.6596 128.8478 53.0927 44.4881 174.6935 48 S 5.0997 8.6453 121.2567 56.4090 64.5431 172.5897 49 I 4.6692 8.2670 121.0933 58.3522 39.6519 175.2382 50 P 4.0876 0.0000 0.0000 65.5843 31.5193 175.5383 51 E 4.5264 7.6380 114.2699 55.6812 31.9076 174.0295 52 T 4.4800 8.3416 109.6689 60.2601 69.3203 173.7035 53 N 5.0426 8.7445 123.9281 50.1096 41.9972 174.6152 54 F 4.0758 8.9405 121.0862 61.6725 39.1641 176.9939 55 V 3.4458 8.0558 117.1933 66.3173 31.5054 177.9753 56 T 3.9621 8.5236 109.6823 64.7296 68.5508 176.5460 57 L 4.0235 8.2560 121.8514 57.2428 41.5147 179.1532 58 A 3.8515 7.8192 120.9166 54.9186 18.2464 179.4128 59 L 4.1419 7.6974 118.4856 58.4921 41.9602 179.3695 60 S 4.2316 7.8977 114.0101 61.6243 62.8529 176.4959 61 V 3.9311 7.9796 120.2726 65.9980 31.2061 178.0685 62 G 3.3067 8.0300 105.6183 47.4021 0.0000 176.0018 63 F 4.0292 8.1103 119.7301 58.9198 39.2449 176.0326 *65 N 4.6179 8.2104 116.8197 52.7191 40.3778 175.0904 66 A 4.2477 7.6880 118.2485 51.7954 19.2603 177.4766 67 G 4.1716 8.2243 103.8163 44.6755 0.0000 174.3197 68 G 3.8277 7.7397 107.4799 45.6971 0.0000 173.0680 69 S 5.5408 9.0828 115.9647 56.6830 66.4627 173.6636 70 V 4.9595 8.7806 121.0644 61.2896 35.0850 173.9493 71 N 5.0264 8.7147 122.4745 51.1461 41.5218 173.0810 72 V 4.2824 8.0266 119.7004 62.6594 32.4730 176.2146 73 G 4.0273 9.0823 118.4880 45.7433 0.0000 174.4877 74 K 4.1992 7.2942 119.3464 56.1344 33.1854 175.0292 75 G 3.9826 8.4771 110.6928 46.3500 0.0000 172.0740 76 G 3.8782 7.6764 106.7326 45.7916 0.0000 171.7974 77 D 4.7001 8.3018 118.6432 56.3207 41.5473 177.7964 78 I 4.7097 7.3345 117.8286 59.0617 41.4405 174.4494 79 K 4.7799 9.2045 127.1409 54.4583 35.2791 174.2403 80 L 4.8357 8.4184 129.3772 53.6786 43.4855 175.3260 81 F 4.6570 9.2915 125.0735 55.5060 41.6673 174.2899 82 L 5.0440 8.4359 124.5077 53.2495 44.9561 174.8647 83 Q 4.5069 8.9413 127.6677 54.3953 31.1004 175.1656 84 K 3.5369 9.5438 125.7904 54.5556 34.3491 176.6678 85 G 3.7456 8.2004 106.4535 45.2689 0.0000 172.0606 86 E 4.0364 8.6849 120.4455 58.4424 29.8328 177.7757 87 I 4.7320 7.5544 118.8270 59.4664 39.5854 175.4134 88 Y 4.5852 9.1167 125.9306 57.8959 39.4287 175.2125 89 V 4.8362 8.8725 122.6900 61.2377 34.6941 174.0005 90 L 5.0393 9.2510 128.3937 53.1523 44.0974 175.5145 91 E 5.0148 8.9584 122.0664 54.5578 33.9695 174.6057 92 F 5.5254 8.8743 120.8530 55.9526 42.7733 174.2944 93 Q 4.9263 9.2914 120.5105 53.0667 32.8146 174.1855 94 P 4.6421 0.0000 0.0000 61.5109 30.5087 175.9401 95 L 4.3807 7.9927 119.6165 55.6375 43.0639 177.0050 96 S 4.7178 9.0315 121.8729 57.0155 66.2828 174.9977 97 E 3.9527 8.4998 121.0074 59.7689 29.2212 179.8019 98 T 3.8531 7.7892 115.4322 66.6237 68.5334 176.2354 99 D 4.3023 7.8499 120.4186 57.4510 40.7647 178.9124 100 I 3.3081 7.7441 120.2064 64.1611 37.0242 178.6191 101 K 4.1223 7.9711 119.3262 59.4547 31.5893 179.5803 102 K 4.0238 7.9350 118.3755 59.2718 31.8678 179.4125 103 L 4.0413 7.9946 119.3889 57.9986 41.5080 179.4822 104 E 4.2321 8.5512 118.9040 59.3950 29.1615 179.4980 105 S 4.2128 8.0522 113.9876 61.1846 63.1194 176.0004 106 I 4.1204 7.5851 115.7160 62.5347 37.6780 178.0704 107 L 3.8626 8.0921 120.3863 57.0423 41.5246 177.8055 108 F 4.8041 8.2539 114.9690 56.9722 39.0436 175.8585 109 G 3.9419 7.4508 110.9305 45.4657 0.0000 174.4917 110 R 4.0951 8.4888 117.2722 57.4547 30.4606 176.9032 111 A 4.8634 7.5666 119.3811 48.9814 21.8409 174.0246 112 P 4.4709 0.0000 0.0000 62.4191 32.1330 176.2879 113 I 3.9519 8.0759 121.1137 60.2069 37.6403 174.5671 114 P 4.3897 0.0000 0.0000 62.8302 31.8238 175.6345 115 K 4.7423 8.3169 120.1673 54.6123 35.1315 175.9810 116 K 4.6295 8.8773 123.2836 55.9564 33.9234 175.6949 117 T 4.6242 7.8958 110.8200 59.2929 73.1079 175.7156 118 G 3.7406 8.9010 111.0674 46.5998 0.0000 176.5871 119 E 4.1642 8.8719 121.7207 58.0757 29.6537 177.3507 120 D 4.5708 8.1141 119.5079 55.5521 41.4414 176.1538 121 I 4.1232 7.4418 120.8925 60.8764 37.7876 176.4638 122 G 4.5759 8.9369 113.6264 45.7304 0.0000 172.1819 123 S 5.0324 8.4848 114.5129 56.6245 66.1828 172.7913 124 F 5.1686 8.6122 121.1349 56.2495 42.4591 173.4547 125 K 4.5210 8.1005 126.7828 54.4303 34.9146 175.8403 126 C 4.3738 8.8086 123.9459 60.1767 28.1225 173.4674 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 3 A 8.26 4.56 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 4 I 8.84 4.00 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 0.34 0.00 0.00 5 F 7.96 5.02 0.00 3.15 3.04 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 6 T 9.18 4.40 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 *7 H 8.66 4.24 0.00 2.95 3.03 0.00 7.19 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.28 4.40 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 9 G 8.22 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 10 K 8.26 5.02 0.00 1.76 1.88 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 11 V 8.59 4.82 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 0.86 0.00 0.00 0.53 0.00 0.00 12 E 8.81 5.77 0.00 2.03 1.88 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 2.18 2.15 0.00 13 G 7.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.55 4.42 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 0.99 0.00 0.00 0.93 0.00 0.00 15 P 0.00 4.21 0.00 1.71 1.72 0.00 3.35 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.84 0.00 16 G 9.27 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 17 N 8.22 4.95 0.00 2.87 2.77 0.00 0.00 6.50 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 18 Y 8.64 4.29 0.00 2.95 2.94 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 19 P 0.00 3.04 0.00 1.76 1.48 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 20 L 7.97 4.58 0.00 1.95 1.74 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.66 4.83 4.36 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 1.39 0.00 0.00 22 A 8.74 3.84 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 23 E 8.18 3.93 0.00 2.13 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 2.43 2.53 0.00 24 N 8.43 4.42 0.00 2.97 2.84 0.00 0.00 7.27 6.13 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 25 L 8.13 3.95 0.00 1.75 1.65 0.88 0.82 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 26 F 8.42 4.29 0.00 3.15 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 27 R 8.24 3.67 0.00 2.04 1.91 0.00 3.28 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 28 I 8.12 3.78 1.99 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 1.38 0.81 0.91 0.00 0.00 29 G 8.22 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.88 0.00 1.28 1.56 0.77 0.66 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 31 A 8.19 3.95 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 32 L 8.20 4.00 0.00 1.93 1.77 0.04 0.40 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 33 C 7.85 3.70 0.00 1.37 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 34 T 7.88 3.81 4.34 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 1.18 0.00 0.00 35 L 8.36 3.94 0.00 1.88 2.08 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.56 3.90 0.00 3.63 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.84 4.18 1.86 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 1.70 2.54 0.90 0.00 0.00 38 L 7.96 3.99 0.00 1.64 1.69 0.90 1.31 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 39 D 8.23 4.40 0.00 2.47 2.69 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 40 K 7.72 4.13 0.00 1.54 1.48 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.85 0.75 7.81 41 E 7.74 3.99 0.00 2.06 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 0.00 2.19 2.22 0.00 42 I 7.64 4.34 2.23 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.71 1.07 0.00 0.00 43 E 8.97 4.01 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 E 7.67 4.65 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 45 P 0.00 4.82 0.00 2.03 2.09 0.00 3.48 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.45 0.00 46 T 9.30 5.11 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 47 L 8.66 4.59 0.00 0.27 0.43 0.62 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.65 5.10 0.00 3.95 3.51 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 0.00 0.00 0.00 0.00 49 I 8.27 4.67 1.83 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.84 0.00 0.00 50 P 0.00 4.09 0.00 2.10 2.04 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 51 E 7.64 4.53 0.00 2.06 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 2.16 2.29 0.00 52 T 8.34 4.48 4.29 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 1.39 0.00 0.00 53 N 8.74 5.04 0.00 3.11 3.02 0.00 0.00 6.22 7.80 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 54 F 8.94 4.08 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.06 3.45 2.39 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 1.10 0.00 0.00 1.06 0.00 0.00 56 T 8.52 3.96 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 57 L 8.26 4.02 0.00 1.67 1.63 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.82 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.70 4.14 0.00 1.90 1.91 1.13 1.64 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 60 S 7.90 4.23 0.00 4.15 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 0.00 61 V 7.98 3.93 2.36 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 0.97 0.00 0.00 1.00 0.00 0.00 62 G 8.03 3.31 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 0.00 63 F 8.11 4.03 0.00 3.25 3.16 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 *65 N 8.21 4.62 0.00 3.18 2.91 0.00 0.00 6.92 8.53 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 66 A 7.69 4.25 1.10 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 67 G 8.22 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 0.00 0.00 0.00 0.00 68 G 7.74 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 69 S 9.08 5.54 0.00 3.80 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 70 V 8.78 4.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 71 N 8.71 5.03 0.00 2.62 2.64 0.00 0.00 6.50 7.26 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 72 V 8.03 4.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 73 G 9.08 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 74 K 7.29 4.20 0.00 1.83 1.72 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.30 7.81 75 G 8.48 3.98 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 0.00 0.00 0.00 76 G 7.68 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 77 D 8.30 4.70 0.00 2.42 2.97 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 78 I 7.33 4.71 1.31 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.68 0.00 0.00 79 K 9.20 4.78 0.00 1.68 1.62 0.00 1.48 0.00 0.00 1.31 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 1.05 7.81 80 L 8.42 4.84 0.00 1.64 1.53 0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.29 4.66 0.00 2.96 2.86 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 82 L 8.44 5.04 0.00 1.49 1.40 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.94 4.51 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 84 K 9.54 3.54 0.00 1.38 1.20 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.02 7.81 85 G 8.20 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 0.00 0.00 0.00 86 E 8.68 4.04 0.00 1.96 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 2.31 2.43 0.00 87 I 7.55 4.73 1.92 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 1.38 0.84 0.96 0.00 0.00 88 Y 9.12 4.59 0.00 2.86 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 89 V 8.87 4.84 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 1.06 0.00 0.00 1.00 0.00 0.00 90 L 9.25 5.04 0.00 1.63 1.18 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.96 5.01 0.00 1.86 1.76 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 2.21 2.23 0.00 92 F 8.87 5.53 0.00 3.10 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 93 Q 9.29 4.93 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.06 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 94 P 0.00 4.64 0.00 2.28 2.21 0.00 4.18 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 2.23 2.13 0.00 95 L 7.99 4.38 0.00 1.94 1.93 1.15 1.01 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 96 S 9.03 4.72 0.00 4.06 3.98 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 97 E 8.50 3.95 0.00 1.98 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 2.40 2.35 0.00 98 T 7.79 3.85 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 99 D 7.85 4.30 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.74 3.31 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 0.25 0.00 0.00 101 K 7.97 4.12 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.61 7.81 102 K 7.94 4.02 0.00 1.97 1.83 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 103 L 7.99 4.04 0.00 1.83 1.82 0.92 0.83 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 0.00 104 E 8.55 4.23 0.00 2.30 2.36 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 2.77 2.69 0.00 105 S 8.05 4.21 0.00 4.08 4.15 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 0.00 106 I 7.59 4.12 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.09 0.92 0.00 0.00 107 L 8.09 3.86 0.00 1.50 1.29 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.25 4.80 0.00 3.24 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.45 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 0.00 110 R 8.49 4.10 0.00 1.84 2.03 0.00 3.17 0.00 0.00 3.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 111 A 7.57 4.86 1.21 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 0.00 0.00 112 P 0.00 4.47 0.00 2.22 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 113 I 8.08 3.95 1.83 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 1.39 0.52 0.85 0.00 0.00 114 P 0.00 4.39 0.00 2.02 1.98 0.00 3.59 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 2.02 2.11 0.00 115 K 8.32 4.74 0.00 1.64 1.90 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.39 1.65 7.81 116 K 8.88 4.63 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.55 7.81 117 T 7.90 4.62 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 0.00 118 G 8.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.87 4.16 0.00 2.09 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 0.00 2.28 2.28 0.00 120 D 8.11 4.57 0.00 2.90 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 0.00 121 I 7.44 4.12 2.02 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 1.19 0.48 0.95 0.00 0.00 122 G 8.94 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.48 5.03 0.00 3.94 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 0.00 124 F 8.61 5.17 0.00 3.03 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 0.00 125 K 8.10 4.52 0.00 1.72 1.41 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.33 7.81 126 C 8.81 4.37 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.