NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3486 8.2649 123.5839 52.6238 19.8656 179.5031 6 T 4.0222 8.4829 113.6083 67.2301 68.6149 174.6032 7 R 3.9446 8.8147 121.6815 59.3787 30.2098 178.2977 8 R 3.9322 7.8925 116.8065 59.0994 30.5182 178.5366 9 V 3.7737 7.7776 117.4923 66.2129 31.6021 177.9853 10 V 3.4627 7.6483 117.4597 66.0063 30.9712 178.1190 11 S 4.1305 7.6435 113.8342 61.7037 62.7134 175.4116 12 E 4.1566 7.9158 116.5276 57.5490 29.4421 176.7222 13 I 4.1570 7.2763 121.4544 58.9327 37.7347 173.9843 14 P 4.3402 0.0000 0.0000 62.8349 31.5992 176.7658 15 V 4.0957 8.1904 115.8203 60.9474 32.5270 175.7089 16 L 4.5831 8.4926 122.3753 54.2044 42.6549 177.1727 17 K 4.7864 8.7051 119.2280 56.2324 33.2540 177.0946 18 T 4.3612 7.8838 115.3222 62.1812 71.2919 173.9085 19 N 4.6029 8.7233 126.3537 52.3635 37.8986 173.5578 20 A 4.9004 8.2145 126.0474 50.6419 22.5422 175.5094 21 G 4.2535 9.1458 110.0234 42.7460 0.0000 173.4354 22 P 2.0000 0.0000 0.0000 62.2298 30.1762 176.8901 23 R 4.4893 8.3932 115.7810 56.6304 31.9803 174.7930 24 D 4.8748 8.1507 116.1465 55.9138 43.1202 180.7290 25 R 3.5452 8.3398 120.8566 56.8089 30.8076 177.8132 26 E 3.9958 9.6682 127.8808 60.5699 29.7260 176.6986 27 L 4.1109 8.2596 118.6673 57.2542 41.5826 179.1554 28 W 4.5271 8.3717 128.1232 60.5033 30.6397 177.7623 29 V 3.6285 7.7774 117.6773 66.1282 30.9475 177.4712 30 Q 3.9425 7.7783 119.1482 59.3873 28.8483 178.5695 31 R 3.8016 8.1806 119.6452 59.2335 30.0302 177.9303 32 L 3.3739 7.9468 121.1227 58.0884 41.8578 179.1224 33 K 4.2163 8.3726 118.5382 59.6006 31.9347 179.0217 34 E 3.9630 8.0594 118.7936 59.3986 29.3403 178.8595 35 E 3.8624 8.3871 119.4736 59.6876 29.5893 178.3514 36 Y 4.3691 7.9234 116.7073 61.4373 38.1125 178.9218 37 Q 4.0708 8.5790 119.0874 59.0929 28.8073 178.9433 38 S 4.1659 8.5698 114.5412 61.1896 62.3528 176.1393 39 L 4.2138 8.4479 122.3856 57.8483 41.4195 179.3448 40 I 3.7011 8.1349 113.2809 64.3149 37.2454 178.2865 41 R 3.9366 7.9801 119.6891 58.9672 29.6221 178.2957 42 Y 4.3686 8.2868 119.3020 60.9188 38.7601 178.3201 43 V 3.2293 8.1232 119.3795 65.9775 31.4544 177.8569 44 E 3.9566 8.3113 118.3068 59.5379 29.3517 179.0650 45 N 4.4138 8.5315 116.7441 56.4322 38.5264 177.2301 46 N 4.4701 8.4306 117.9821 56.2463 38.5442 177.6744 47 K 3.9988 8.2743 119.9599 59.6360 31.9686 179.1751 48 N 4.3536 8.4601 115.6991 55.6746 38.4327 176.2260 49 A 4.4809 7.7994 119.7660 50.5039 20.1222 176.4162 50 D 4.4118 8.1929 117.0963 55.9168 39.9371 173.3530 51 N 5.0274 8.8814 110.8218 52.9127 39.9563 173.4578 52 D 4.4356 8.6317 117.3038 54.1571 41.2790 174.9673 53 W 3.6978 7.9838 122.5061 55.2642 29.8953 174.2991 54 F 4.4235 6.1392 113.3405 56.2411 40.1170 173.4489 55 R 4.3680 8.9217 117.8114 54.4574 34.4057 174.1887 56 L 5.3347 8.5753 124.5924 53.5258 45.2899 174.9171 57 E 4.9605 8.9963 124.4486 54.5961 34.2647 174.3246 58 S 4.0641 7.6495 114.2501 56.3342 65.9155 172.6531 59 N 4.7792 7.8850 118.5392 51.4017 38.8584 175.0156 60 K 4.0155 8.7479 116.8722 60.0138 31.9280 178.5504 61 E 4.2151 8.1592 115.3756 57.3076 29.7464 177.5217 62 G 3.8700 8.5610 106.9784 46.3400 0.0000 174.2179 63 T 4.6314 8.1353 110.5104 61.5906 71.1528 174.0996 64 R 4.9604 7.9952 121.3572 54.0600 33.8823 174.3876 65 W 5.0550 9.0387 123.3819 54.7215 32.8257 174.4914 66 F 5.2784 8.4915 117.4218 55.1137 41.7133 174.3880 67 G 4.4360 8.1246 104.4505 46.4243 0.0000 171.4066 68 K 5.4139 8.0111 118.5065 56.0959 36.5733 174.9732 69 C 5.4668 9.4918 115.2137 56.6167 33.4312 172.7419 70 W 6.2553 9.0103 116.6409 55.5252 31.5139 173.6136 71 Y 4.9760 9.5667 121.4172 56.2541 41.9023 173.7012 72 I 5.5408 8.1307 127.0944 59.6178 38.7151 174.5886 73 H 4.5998 8.9449 126.7252 55.0881 32.1985 173.0304 74 D 4.2928 9.3612 128.5776 55.5538 38.0052 175.5941 75 L 4.0292 8.0308 118.6759 55.4487 41.4257 176.0386 76 L 4.1912 7.7718 118.0036 54.4174 42.9786 176.1104 77 K 4.8938 8.4628 123.2917 55.1213 34.0947 174.7148 78 Y 4.5726 9.5356 126.2238 56.4776 39.8195 174.4621 79 E 5.4309 8.5346 125.4874 54.8900 31.9861 175.0584 80 F 5.1653 9.4040 123.3990 55.8975 43.7504 173.8134 81 D 5.3477 9.3483 123.4941 54.4148 42.0844 175.4917 82 I 5.1904 8.9929 115.8138 59.6456 41.5112 173.7555 83 E 5.3474 8.4984 119.7086 55.9947 33.2107 173.9305 84 F 4.8158 8.0853 113.3378 56.7189 41.4067 172.3102 85 D 5.4974 8.9458 119.8221 52.6306 43.3905 176.1072 86 I 4.0271 8.6120 123.9167 60.3069 37.6313 174.7016 87 P 4.4441 0.0000 0.0000 62.0595 31.9367 177.5236 88 I 3.6499 8.2937 120.9778 63.8680 38.2095 176.7173 89 T 4.3840 7.8057 108.7885 61.4555 69.1158 173.9076 90 Y 4.6664 7.9286 124.5985 57.4450 38.5034 174.3803 91 P 2.9700 0.0000 0.0000 63.0853 31.8218 177.9974 92 T 4.0325 7.6317 115.9696 65.8643 68.5210 174.3514 93 T 4.4258 7.2596 117.7923 61.0669 70.2382 173.8175 94 A 3.6760 7.8106 129.5612 51.2009 18.7490 175.1541 95 P 4.3618 0.0000 0.0000 62.1587 32.2603 176.0357 96 E 4.2909 8.1780 118.9464 54.6308 29.6976 176.3344 97 I 4.0275 7.6897 125.1182 61.2870 38.7326 175.2872 98 A 5.0031 8.7101 126.6709 50.5384 23.2573 175.6122 99 V 4.7904 8.2791 121.6913 57.8498 32.1220 174.3973 100 P 4.2759 0.0000 0.0000 66.3524 31.6128 178.5416 101 E 4.0786 8.4873 115.4486 59.4866 29.7472 178.1395 102 L 4.3053 8.0329 116.3481 55.0362 42.2121 176.0305 103 D 4.4789 7.7232 118.5763 55.9088 41.1941 176.4394 104 G 3.9731 8.9359 114.5100 46.9954 0.0000 173.7436 105 K 4.5250 7.8619 114.9134 55.2812 33.8154 176.5715 106 T 4.0911 8.0162 110.9898 61.3644 69.3584 172.4266 107 A 4.1183 9.0473 133.1927 55.5591 18.5386 178.9324 108 K 4.1506 7.5928 115.0883 56.6070 29.4616 175.3354 *110 Y 4.4125 7.4814 120.3982 57.0632 39.5995 174.5020 111 R 3.9930 8.4188 120.2479 57.9175 30.5349 177.2158 112 G 3.9531 8.9990 111.8983 45.6416 0.0000 174.1933 113 G 3.9116 8.0389 107.9045 44.9218 0.0000 173.4834 114 K 4.5656 7.3285 117.8509 56.1243 32.4213 177.4029 115 I 3.6571 8.5814 126.0698 61.1616 38.0990 175.8459 116 C 4.7375 8.1908 118.5619 56.4879 31.4486 173.7885 117 L 4.3615 8.2774 124.9360 53.9567 42.7060 177.0191 118 T 4.2859 8.1851 108.8855 61.5490 69.4342 175.4279 119 D 4.4326 8.6267 122.5455 57.6601 39.7694 177.2941 120 H 4.5576 8.1531 114.4786 56.4379 28.9543 176.6189 121 F 4.1905 8.2527 123.0754 60.0827 39.2706 176.8617 122 K 3.8327 8.2804 118.4957 59.3664 32.1353 176.6745 123 P 4.2247 0.0000 0.0000 65.5053 31.0768 178.1780 124 L 3.8723 7.0815 117.8618 57.8422 42.2297 178.6849 125 W 3.9351 7.9132 127.8600 60.3769 30.1787 177.6253 126 A 4.1073 8.1771 121.0291 55.2104 17.6187 179.0344 127 R 4.1211 7.6321 110.9065 57.1793 30.0485 176.6517 128 N 4.3485 7.5201 116.5183 52.6400 40.0354 174.8167 129 V 3.4217 6.6893 117.5981 63.0256 30.7921 173.6545 130 P 4.6411 0.0000 0.0000 62.3610 31.7028 177.1571 131 K 4.3792 7.7795 121.4035 59.1593 32.1212 177.3814 132 F 4.3585 6.7425 113.9811 56.6302 39.8548 175.3754 133 G 4.5478 8.1279 111.9981 44.0193 0.0000 172.5390 134 L 3.9061 10.0947 119.2779 57.9048 41.7933 178.5044 135 A 4.2259 8.2097 119.8990 55.7357 18.5996 178.3923 136 H 3.8633 8.1448 112.3288 58.9507 28.9185 177.9705 137 L 4.2359 8.3458 118.0445 56.2070 41.7898 178.1973 *139 A 4.5248 7.9004 120.5726 51.5185 20.0967 178.5185 140 L 4.4461 8.8050 114.8439 55.3256 43.0827 177.3969 141 G 3.3449 8.2200 108.3076 45.7752 0.0000 175.3527 142 L 4.0348 8.8427 121.2298 58.8797 42.7612 177.6800 143 G 3.0883 8.3293 102.6461 48.2526 0.0000 173.1700 144 P 4.1380 0.0000 0.0000 64.2821 31.5933 178.5264 145 W 3.8408 7.8531 127.2356 60.5890 30.6651 177.9926 146 L 3.8502 8.8414 118.9554 57.6965 40.8178 179.3693 147 A 3.8263 7.6830 119.9040 54.8839 18.5004 179.5291 148 V 3.5382 7.2187 115.8745 65.7629 31.7964 178.2537 149 E 3.4491 7.3863 118.2859 59.1185 29.0877 179.0855 150 I 3.3143 6.8795 119.9012 63.9008 37.1676 176.7404 151 P 4.0568 0.0000 0.0000 65.7043 31.0794 177.9012 152 D 4.1653 7.3700 117.2173 57.1913 41.1803 178.1978 153 L 3.9272 8.1909 119.7679 57.7531 41.6432 179.7316 154 I 3.8537 7.7725 120.1510 64.3415 36.8431 178.5051 155 Q 4.0379 7.8570 117.2467 58.9202 28.5089 178.0067 156 K 4.2303 7.8421 118.4815 56.6815 32.2769 177.8070 157 G 3.9106 7.6654 107.0810 45.8255 0.0000 174.8213 158 V 3.8061 7.8498 121.4038 64.1442 31.8161 176.3541 159 I 4.6880 7.5681 117.7409 59.0346 40.4987 173.9876 160 Q 4.9233 8.5855 124.4305 54.2698 32.2225 174.2708 161 H 4.5828 8.7348 119.1517 55.3602 31.0365 175.0726 162 K 4.0417 7.8033 125.4548 56.9919 31.8590 175.1291 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 5 A 8.26 4.35 1.11 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 0.00 0.00 6 T 8.48 4.02 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 1.21 0.00 0.00 7 R 8.81 3.94 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 8 R 7.89 3.93 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 9 V 7.78 3.77 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.01 0.00 0.00 10 V 7.65 3.46 2.22 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 0.88 0.00 0.00 0.87 0.00 0.00 11 S 7.64 4.13 0.00 4.11 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 12 E 7.92 4.16 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 13 I 7.28 4.16 1.81 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.55 0.00 0.00 14 P 0.00 4.34 0.00 2.20 2.10 0.00 3.78 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 2.03 0.00 15 V 8.19 4.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 16 L 8.49 4.58 0.00 1.79 1.72 0.92 1.10 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 17 K 8.71 4.79 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 18 T 7.88 4.36 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 1.26 0.00 0.00 19 N 8.72 4.60 0.00 2.66 2.76 0.00 0.00 6.96 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 20 A 8.21 4.90 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 21 G 9.15 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 0.00 0.00 0.00 0.00 22 P 0.00 2.00 0.00 1.60 1.01 0.00 3.53 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 23 R 8.39 4.49 0.00 1.62 1.78 0.00 3.03 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 24 D 8.15 4.87 0.00 3.06 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 25 R 8.34 3.55 0.00 1.96 1.48 0.00 3.18 0.00 0.00 3.13 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 26 E 9.67 4.00 0.00 2.13 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 2.42 2.53 0.00 27 L 8.26 4.11 0.00 1.97 1.82 0.97 0.75 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 28 W 8.37 4.53 0.00 3.61 3.36 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 29 V 7.78 3.63 2.33 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 1.01 0.00 0.00 1.05 0.00 0.00 30 Q 7.78 3.94 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 31 R 8.18 3.80 0.00 2.00 2.00 0.00 3.23 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 32 L 7.95 3.37 0.00 1.17 1.64 0.65 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.37 4.22 0.00 1.98 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.71 7.81 34 E 8.06 3.96 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 35 E 8.39 3.86 0.00 2.03 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 2.03 2.17 0.00 36 Y 7.92 4.37 0.00 3.24 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 37 Q 8.58 4.07 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 38 S 8.57 4.17 0.00 4.05 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 39 L 8.45 4.21 0.00 2.02 1.88 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.13 3.70 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 1.04 0.00 0.00 41 R 7.98 3.94 0.00 2.18 2.10 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 42 Y 8.29 4.37 0.00 3.07 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 43 V 8.12 3.23 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 0.78 0.00 0.00 0.49 0.00 0.00 44 E 8.31 3.96 0.00 2.22 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 2.50 2.51 0.00 45 N 8.53 4.41 0.00 3.02 3.12 0.00 0.00 7.07 7.77 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 46 N 8.43 4.47 0.00 2.81 3.10 0.00 0.00 7.03 7.25 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 47 K 8.27 4.00 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.67 7.81 48 N 8.46 4.35 0.00 2.87 2.92 0.00 0.00 6.99 6.95 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 49 A 7.80 4.48 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.19 4.41 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.88 5.03 0.00 2.68 2.82 0.00 0.00 6.97 8.87 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 52 D 8.63 4.44 0.00 2.80 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 53 W 7.98 3.70 0.00 3.39 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 54 F 6.14 4.42 0.00 2.63 1.64 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 55 R 8.92 4.37 0.00 1.85 1.83 0.00 3.21 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 56 L 8.58 5.33 0.00 1.95 1.78 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.00 4.96 0.00 1.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 58 S 7.65 4.06 0.00 2.72 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 59 N 7.88 4.78 0.00 2.85 2.94 0.00 0.00 7.00 6.45 0.00 0.00 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 K 8.75 4.02 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 E 8.16 4.22 0.00 2.05 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 0.00 2.37 2.34 0.00 62 G 8.56 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.14 4.63 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 1.16 0.00 0.00 64 R 8.00 4.96 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 65 W 9.04 5.06 0.00 1.78 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 66 F 8.49 5.28 0.00 3.08 3.09 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 67 G 8.12 4.44 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 0.00 68 K 8.01 5.41 0.00 2.11 2.08 0.00 1.37 0.00 0.00 2.04 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.77 7.81 69 C 9.49 5.47 0.00 3.46 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 70 W 9.01 6.26 0.00 3.49 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 71 Y 9.57 4.98 0.00 3.24 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 72 I 8.13 5.54 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 1.02 0.00 0.00 73 H 8.94 4.60 0.00 3.38 3.37 0.00 5.88 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.36 4.29 0.00 3.01 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 75 L 8.03 4.03 0.00 1.83 1.87 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.77 4.19 0.00 1.95 1.25 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.46 4.89 0.00 1.76 1.67 0.00 1.49 0.00 0.00 1.07 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.58 7.81 78 Y 9.54 4.57 0.00 3.43 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 79 E 8.53 5.43 0.00 1.98 1.77 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 2.40 2.79 0.00 80 F 9.40 5.17 0.00 3.23 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 81 D 9.35 5.35 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.99 5.19 2.04 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 1.60 1.12 1.12 0.00 0.00 83 E 8.50 5.35 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 84 F 8.09 4.82 0.00 3.08 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 85 D 8.95 5.50 0.00 2.62 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 86 I 8.61 4.03 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.79 0.00 0.00 87 P 0.00 4.44 0.00 2.24 1.98 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 88 I 8.29 3.65 1.84 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 1.45 0.60 0.91 0.00 0.00 89 T 7.81 4.38 4.27 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 1.22 0.00 0.00 90 Y 7.93 4.67 0.00 3.22 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 91 P 0.00 2.97 0.00 1.87 1.53 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 92 T 7.63 4.03 4.41 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 0.00 0.00 1.24 0.00 0.00 93 T 7.26 4.43 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 1.19 0.00 0.00 94 A 7.81 3.68 -0.35 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 95 P 0.00 4.36 0.00 1.51 2.18 0.00 3.33 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 1.65 1.88 0.00 96 E 8.18 4.29 0.00 1.87 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 2.06 2.16 0.00 97 I 7.69 4.03 1.59 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.30 0.79 0.00 0.00 98 A 8.71 5.00 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 99 V 8.28 4.79 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 0.77 0.00 0.00 1.06 0.00 0.00 100 P 0.00 4.28 0.00 2.27 2.23 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.19 0.00 101 E 8.49 4.08 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 102 L 8.03 4.31 0.00 1.91 1.78 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.72 4.48 0.00 2.81 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 0.00 104 G 8.94 3.97 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 0.00 105 K 7.86 4.53 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.66 7.81 106 T 8.02 4.09 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 1.36 0.00 0.00 107 A 9.05 4.12 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 0.00 108 K 7.59 4.15 0.00 1.74 1.84 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *110 Y 7.48 4.41 0.00 3.29 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 0.00 111 R 8.42 3.99 0.00 1.97 1.84 0.00 3.32 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 112 G 9.00 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 0.00 0.00 0.00 113 G 8.04 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 0.00 114 K 7.33 4.57 0.00 1.75 1.72 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.41 7.81 115 I 8.58 3.66 1.44 0.00 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.02 0.08 0.00 0.00 116 C 8.19 4.74 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.36 0.00 1.47 1.57 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.19 4.29 4.41 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 0.00 0.00 1.27 0.00 0.00 119 D 8.63 4.43 0.00 2.55 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 0.00 120 H 8.15 4.56 0.00 3.33 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.25 4.19 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.28 3.83 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.67 7.81 123 P 0.00 4.22 0.00 2.20 2.08 0.00 3.69 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 2.13 2.15 0.00 124 L 7.08 3.87 0.00 1.75 1.86 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 W 7.91 3.94 0.00 2.99 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 0.00 126 A 8.18 4.11 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 0.00 127 R 7.63 4.12 0.00 1.88 1.96 0.00 2.95 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.49 0.00 128 N 7.52 4.35 0.00 1.62 1.42 0.00 0.00 6.56 7.12 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 0.00 129 V 6.69 3.42 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 0.68 0.00 0.00 0.92 0.00 0.00 130 P 0.00 4.64 0.00 2.14 2.29 0.00 3.64 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 1.89 1.89 0.00 131 K 7.78 4.38 0.00 1.75 1.75 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 132 F 6.74 4.36 0.00 1.64 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 0.00 133 G 8.13 4.55 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 0.00 134 L 10.09 3.91 0.00 1.26 1.51 -0.69 0.41 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 0.00 135 A 8.21 4.23 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 0.00 136 H 8.14 3.86 0.00 3.15 2.51 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.35 4.24 0.00 1.99 1.80 0.64 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.90 4.52 1.01 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 0.00 140 L 8.80 4.45 0.00 1.94 2.05 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.22 3.34 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 0.00 142 L 8.84 4.03 0.00 1.79 2.04 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.33 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.14 0.00 2.16 2.08 0.00 3.74 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 2.25 2.10 0.00 145 W 7.85 3.84 0.00 3.38 3.34 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 0.00 146 L 8.84 3.85 0.00 1.75 1.66 1.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.68 3.83 1.28 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 0.00 0.00 148 V 7.22 3.54 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.77 0.00 0.00 149 E 7.39 3.45 0.00 1.16 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 1.47 1.47 0.00 150 I 6.88 3.31 0.90 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.77 0.00 0.00 151 P 0.00 4.06 0.00 2.24 2.43 0.00 3.11 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 152 D 7.37 4.17 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.19 3.93 0.00 1.69 1.62 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.77 3.85 1.72 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 0.77 0.00 0.00 155 Q 7.86 4.04 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 156 K 7.84 4.23 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.43 1.56 7.81 157 G 7.67 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 0.00 158 V 7.85 3.81 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 0.80 0.00 0.00 0.92 0.00 0.00 159 I 7.57 4.69 1.97 0.00 0.00 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 1.68 1.76 0.95 0.00 0.00 160 Q 8.59 4.92 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 161 H 8.73 4.58 0.00 2.68 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.80 4.04 0.00 1.69 1.54 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.