NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1924 8.1849 120.6537 54.4146 44.1650 177.1593 *4 K 4.1494 7.6040 117.7850 55.7640 34.4607 176.4200 5 V 3.8599 8.5353 121.2142 66.4948 31.2229 178.3319 6 A 4.0722 8.0626 119.7991 55.2190 18.2904 179.3572 7 E 3.9144 8.0184 116.5307 59.4877 29.6455 179.3122 8 F 4.2841 8.2610 117.8193 60.7145 38.5665 176.9385 9 E 4.0648 9.0500 119.1076 59.6616 29.3288 178.7726 10 R 3.9819 8.4651 118.5381 59.5124 30.1711 178.5019 11 L 4.0236 8.4042 119.0463 58.0320 41.6794 179.6065 12 F 4.2979 8.3843 117.5779 60.2767 38.7604 177.8654 13 R 4.0022 7.8366 117.9330 59.6603 29.8216 178.6146 14 Q 4.0759 8.3242 116.3626 58.3743 28.6961 178.1968 15 A 4.3439 8.3587 121.6484 54.2961 18.8475 179.1703 16 A 4.5490 7.9073 117.7599 52.0629 19.8371 175.8713 17 G 4.0826 8.0018 105.5147 48.3055 0.0000 173.8664 18 L 4.8398 7.8536 116.7307 52.8692 45.0966 177.0965 19 D 4.8477 9.2960 120.6878 52.6033 43.2730 174.4252 20 V 4.3283 7.9982 125.7236 59.8766 33.0581 175.8571 21 D 4.4326 8.5280 125.2865 53.6983 41.2552 177.4139 22 K 3.6587 8.6767 123.1088 59.2914 32.5744 177.6230 23 N 4.4704 7.9363 116.4008 55.7600 39.0467 176.3231 24 D 4.4244 8.6639 118.3112 55.8479 40.9576 178.5597 25 L 3.5703 7.6716 119.6723 57.4755 41.5181 178.9662 26 K 3.7249 7.8558 119.1849 59.5463 32.0734 178.8324 27 R 3.9025 7.6935 115.8134 59.0743 29.5615 178.8298 28 V 3.2678 7.5233 118.9871 65.5035 31.4072 177.8891 29 S 4.1553 8.4371 113.3874 61.6639 62.2447 175.8392 30 D 4.3588 7.9873 121.4923 57.2638 40.5272 178.6833 31 F 4.1595 8.3464 121.0581 61.4830 39.3903 177.3176 32 L 3.9167 8.1468 118.6453 57.4689 41.2743 179.4339 33 R 3.8892 8.3551 119.3070 59.5561 29.9475 178.3851 34 N 4.3496 8.3110 116.3708 56.2191 38.5258 177.6201 35 K 3.9014 7.7799 120.0507 59.2238 32.2165 179.2226 36 L 3.9788 8.2924 121.1295 58.1324 41.9342 178.3443 37 Y 4.0205 8.3242 119.8104 60.8654 38.7619 177.8156 38 D 4.2975 8.5116 119.9579 57.1943 40.8542 178.8218 39 L 3.9614 7.6392 119.2305 57.7988 41.6173 179.5348 40 L 3.9322 7.6734 118.2996 57.3429 41.5809 179.4709 41 A 3.7334 7.7284 121.1996 55.0253 18.2225 179.8572 42 V 3.4925 7.7558 116.6131 65.9204 31.4661 178.0124 43 A 4.6357 7.8755 121.9364 54.6496 18.2093 179.1991 44 E 3.8135 8.2384 117.7850 59.3898 29.6960 178.9993 45 R 3.9141 7.8529 118.3751 59.6031 30.1608 178.3118 46 N 4.4028 8.5514 116.3621 56.0625 38.4917 177.3025 47 A 4.0906 8.3630 122.5869 55.2580 18.5373 179.9089 48 K 3.9754 8.2687 117.0432 59.6709 31.8661 178.9283 49 Y 4.1237 8.0269 119.1335 60.4208 38.7143 176.9838 50 N 4.7212 8.1313 114.9127 52.1165 39.0483 175.0218 51 G 3.9001 8.0290 107.9737 47.0839 0.0000 174.2562 52 R 4.7457 8.0508 116.6590 54.4144 32.9879 176.0380 53 D 4.8600 8.6246 118.7888 53.9944 41.3330 175.9990 54 L 4.6243 7.4008 120.1584 53.4596 45.5800 175.1162 55 I 4.3893 8.0377 126.1163 60.4337 38.6552 175.0160 56 F 5.0393 9.5889 125.2272 55.2100 42.5817 175.9423 57 E 3.9196 9.2610 121.1444 59.2823 29.3212 177.6708 58 P 4.4023 0.0000 0.0000 65.2205 31.7709 177.3357 59 D 4.4922 8.4874 118.7898 56.6536 40.9761 176.4715 60 L 4.4251 7.6583 120.1938 53.8146 42.3030 176.5578 61 P 4.4592 0.0000 0.0000 61.8130 29.5734 175.1792 62 I 4.0780 7.3292 121.2814 60.4580 37.7988 176.6402 63 A 4.2658 8.1685 127.5843 51.1034 20.4713 177.3077 64 K 3.8717 8.6908 121.6899 59.8057 32.0710 179.2842 65 G 3.5426 7.9599 105.3108 47.7714 0.0000 175.3485 66 L 3.9802 7.8192 122.6253 57.6719 42.1716 178.5651 67 Q 3.9529 8.2769 119.7702 59.2377 28.9128 178.2080 68 E 4.0126 8.1927 119.5935 59.7472 29.4436 179.4599 69 T 3.9332 7.8687 115.8286 66.4468 68.4475 176.4668 70 L 4.0231 8.1564 122.5792 58.1576 41.8901 178.8418 71 Q 3.9907 7.9265 118.5511 59.1749 29.2951 177.5529 72 E 4.1207 8.5253 120.0725 59.4907 29.3096 179.1510 73 F 4.1583 8.1650 119.3512 61.4332 39.6241 177.1599 74 R 3.8097 7.9926 115.6554 57.8185 30.7852 177.7753 75 R 4.2707 7.3341 120.0151 55.0990 28.5498 176.1611 *77 D 4.3219 7.7114 111.2136 55.0483 43.1733 177.4841 78 T 4.4065 7.1925 112.4884 61.2948 68.1612 174.3857 79 A 4.0151 7.7595 123.9901 52.6758 19.3354 177.3995 80 L 5.4759 8.2702 121.8146 52.0288 44.0635 176.1709 81 E 4.1891 8.4729 121.8929 56.0022 30.7560 177.2550 82 L 4.1157 8.5059 125.7606 58.0615 42.4565 178.7916 83 K 3.8131 8.0816 119.0811 59.2629 31.8785 176.4159 84 P 4.2350 0.0000 0.0000 65.6435 31.1940 178.7065 85 V 3.5582 7.6706 116.3087 66.0318 31.4951 177.8472 86 L 3.9870 7.8693 118.7202 57.9344 40.9705 179.3312 87 D 4.3313 8.6841 118.9967 57.2437 40.5371 178.6288 88 A 4.0537 8.0701 120.5366 55.2867 18.6198 179.4436 89 L 4.1211 8.3273 117.4352 57.6452 41.5024 179.4560 90 A 4.0044 8.1978 120.1315 54.6267 18.3589 178.7959 91 A 4.1310 7.5169 116.3577 52.6531 18.6322 177.0361 92 L 4.4688 7.0109 117.1035 51.4059 44.2040 174.6250 93 P 4.2570 0.0000 0.0000 62.4822 31.6136 175.1516 94 P 4.4836 0.0000 0.0000 62.4789 31.9543 176.2741 95 L 4.4135 8.1468 120.9599 54.2467 42.5160 177.2516 96 D 4.5101 10.2918 121.2117 56.2276 41.0398 177.0122 97 L 4.7906 7.6338 117.3470 52.6090 44.9084 175.8189 98 E 4.3830 8.3554 120.6037 56.1999 31.2551 175.8022 99 V 4.5821 7.9428 113.7683 59.3743 34.0575 176.0377 100 A 3.9422 8.4725 125.3358 51.9707 19.2385 178.7439 101 E 3.8979 8.9063 119.0571 59.7107 29.3191 179.6108 102 D 4.4000 8.0564 117.5016 57.3812 41.2246 178.6276 103 V 3.7219 7.6814 118.2656 65.8126 31.1905 177.7040 104 R 3.8783 7.9003 118.5330 59.7262 29.7323 177.9723 105 N 4.5167 7.9990 113.6072 54.9986 38.9028 176.4312 106 L 4.2339 7.8918 122.0584 56.9041 42.1882 178.1797 107 L 3.9605 7.5288 119.1429 57.5264 41.6809 177.7451 108 P 4.1697 0.0000 0.0000 65.9531 30.9972 178.2145 109 E 3.9950 8.0860 117.9199 59.1524 29.4482 179.0285 110 L 3.9038 8.0582 118.9219 57.4773 41.6604 179.2874 111 A 3.9912 8.1447 121.1183 55.1136 18.2923 179.9122 112 G 2.3498 7.4610 103.8287 47.4578 0.0000 175.7628 113 A 3.9552 7.5902 123.6150 54.7470 18.2550 179.7806 114 L 4.0838 8.2423 118.0528 57.8469 41.6905 179.8576 115 V 3.5061 7.7597 118.2188 65.8782 31.4737 178.0476 116 V 3.5624 7.8623 117.7966 66.1819 31.3472 177.8755 117 A 4.1234 8.3758 120.4979 55.2852 18.2490 178.9663 118 Y 4.0705 8.8090 118.2873 60.7959 38.8421 178.0793 119 A 4.4824 8.6863 122.1224 55.5985 18.4266 179.9402 120 R 3.9625 8.2312 116.2252 58.9702 30.0418 179.5255 121 V 3.6672 7.8626 118.6777 65.6930 31.3067 178.0313 122 L 3.8665 7.6888 117.8468 57.7546 41.6799 179.3015 123 K 4.0314 8.3570 119.2536 58.8858 31.6805 177.8498 124 E 4.2762 7.7986 119.1075 58.0320 29.6234 177.6740 125 L 4.1251 7.7905 117.8508 55.7515 42.0377 176.4767 126 D 4.4030 7.3861 111.6403 52.8105 43.1764 173.3234 127 P 4.3966 0.0000 0.0000 63.7847 31.5466 176.8495 128 A 4.6292 7.7017 121.2187 49.7778 18.0611 174.8308 129 L 4.6278 7.6667 118.3771 53.5312 46.1423 175.9381 130 K 4.5407 8.5892 119.5288 56.3657 34.4796 175.4162 131 N 5.5966 7.5946 115.4369 50.9977 39.4556 171.3925 132 P 4.2873 0.0000 0.0000 62.3684 32.3372 175.8276 133 Q 4.7562 8.3946 119.4949 53.9370 32.0278 176.1508 134 T 3.9082 8.5592 114.0503 67.6966 67.9392 176.3376 135 E 4.8176 7.9236 120.9592 59.1212 29.5186 178.7603 136 H 4.4160 8.3121 116.6672 58.7206 28.7666 177.5173 137 H 4.3968 8.2841 119.3884 58.0668 28.6222 177.4359 138 E 3.8740 8.2053 119.6662 59.4785 29.4495 179.5262 139 R 3.9176 7.6951 117.4539 58.7503 30.1428 178.8324 140 A 3.8857 7.9318 120.7117 55.0427 18.1907 179.5453 141 E 3.5053 8.1966 117.3221 59.5006 29.2209 179.7802 142 R 3.9748 7.7330 116.9969 59.2026 30.2889 179.0265 143 V 3.8039 7.8598 117.9476 65.9918 31.5598 178.0734 144 F 4.0485 8.6759 117.5254 60.8678 38.6868 177.3451 145 N 4.7740 8.6736 114.7313 56.3995 38.3585 177.0130 146 L 4.2499 7.7747 119.3836 56.5589 41.8425 177.5542 147 L 4.7379 7.7559 114.9953 53.9552 44.0087 176.2813 148 L 4.3347 8.5804 123.6021 54.8274 42.5137 176.0819 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 2 L 8.18 4.19 0.00 1.76 1.73 1.06 0.60 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 *4 K 7.60 4.15 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.60 7.81 5 V 8.54 3.86 2.16 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 1.12 0.00 0.00 1.01 0.00 0.00 6 A 8.06 4.07 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 7 E 8.02 3.91 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 8 F 8.26 4.28 0.00 3.37 3.17 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 9 E 9.05 4.06 0.00 2.37 2.21 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 2.38 2.46 0.00 10 R 8.47 3.98 0.00 2.06 2.01 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 11 L 8.40 4.02 0.00 1.90 1.61 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.38 4.30 0.00 3.44 3.14 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 0.00 0.00 0.00 13 R 7.84 4.00 0.00 2.11 2.07 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 14 Q 8.32 4.08 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 15 A 8.36 4.34 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 0.00 0.00 0.00 0.00 0.00 16 A 7.91 4.55 1.32 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 0.00 0.00 0.00 17 G 8.00 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 18 L 7.85 4.84 0.00 1.71 1.61 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.30 4.85 0.00 2.65 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 20 V 8.00 4.33 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.57 0.00 0.00 21 D 8.53 4.43 0.00 2.85 2.58 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 22 K 8.68 3.66 0.00 1.83 1.95 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 23 N 7.94 4.47 0.00 2.68 2.86 0.00 0.00 6.95 8.06 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 24 D 8.66 4.42 0.00 2.60 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 0.00 0.00 0.00 0.00 25 L 7.67 3.57 0.00 1.60 1.20 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.86 3.72 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 27 R 7.69 3.90 0.00 1.99 2.07 0.00 2.73 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 28 V 7.52 3.27 1.86 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 0.64 0.00 0.00 0.61 0.00 0.00 29 S 8.44 4.16 0.00 3.75 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 30 D 7.99 4.36 0.00 2.97 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 31 F 8.35 4.16 0.00 3.14 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 32 L 8.15 3.92 0.00 1.75 1.71 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.36 3.89 0.00 1.95 2.14 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 34 N 8.31 4.35 0.00 2.82 2.81 0.00 0.00 7.06 7.65 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 35 K 7.78 3.90 0.00 1.86 1.84 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.95 1.41 7.81 36 L 8.29 3.98 0.00 1.81 1.85 0.90 0.93 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 37 Y 8.32 4.02 0.00 3.17 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 38 D 8.51 4.30 0.00 2.88 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 39 L 7.64 3.96 0.00 1.82 1.67 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.67 3.93 0.00 1.63 1.51 0.88 0.41 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 41 A 7.73 3.73 1.14 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 0.00 0.00 0.00 0.00 0.00 42 V 7.76 3.49 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 1.04 0.00 0.00 0.95 0.00 0.00 43 A 7.88 4.64 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 44 E 8.24 3.81 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 45 R 7.85 3.91 0.00 1.94 2.07 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 46 N 8.55 4.40 0.00 2.92 2.88 0.00 0.00 6.92 8.12 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 47 A 8.36 4.09 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.27 3.98 0.00 2.01 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 49 Y 8.03 4.12 0.00 3.04 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 50 N 8.13 4.72 0.00 2.84 2.86 0.00 0.00 7.02 6.94 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 51 G 8.03 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 52 R 8.05 4.75 0.00 2.02 2.09 0.00 3.45 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 53 D 8.62 4.86 0.00 2.67 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 54 L 7.40 4.62 0.00 1.53 1.31 0.81 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 0.00 0.00 0.00 0.00 55 I 8.04 4.39 1.73 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 1.17 0.34 0.85 0.00 0.00 56 F 9.59 5.04 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.26 3.92 0.00 2.05 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 2.41 2.39 0.00 58 P 0.00 4.40 0.00 2.12 2.12 0.00 3.80 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 2.04 2.13 0.00 59 D 8.49 4.49 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.66 4.43 0.00 1.80 1.59 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.46 0.00 2.14 2.05 0.00 3.81 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 1.95 1.94 0.00 62 I 7.33 4.08 1.86 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 1.33 0.58 0.95 0.00 0.00 63 A 8.17 4.27 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 64 K 8.69 3.87 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.52 7.81 65 G 7.96 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 0.00 0.00 0.00 66 L 7.82 3.98 0.00 1.69 1.74 0.89 0.78 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 67 Q 8.28 3.95 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.19 4.01 0.00 2.28 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 0.00 2.34 2.48 0.00 69 T 7.87 3.93 4.42 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 1.30 0.00 0.00 70 L 8.16 4.02 0.00 1.77 1.94 1.03 0.89 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 71 Q 7.93 3.99 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 72 E 8.53 4.12 0.00 2.29 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 2.47 2.51 0.00 73 F 8.16 4.16 0.00 3.00 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 74 R 7.99 3.81 0.00 2.01 1.95 0.00 3.25 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 75 R 7.33 4.27 0.00 1.94 1.87 0.00 3.18 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 *77 D 7.71 4.32 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.19 4.41 4.14 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 0.00 0.00 1.26 0.00 0.00 79 A 7.76 4.02 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 80 L 8.27 5.48 0.00 1.66 1.55 0.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.47 4.19 0.00 1.89 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 2.28 2.35 0.00 82 L 8.51 4.12 0.00 1.80 1.63 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.08 3.81 0.00 1.90 1.81 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.79 7.81 84 P 0.00 4.23 0.00 2.29 2.08 0.00 3.64 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 2.10 2.14 0.00 85 V 7.67 3.56 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 1.13 0.00 0.00 0.91 0.00 0.00 86 L 7.87 3.99 0.00 1.90 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.68 4.33 0.00 2.89 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 88 A 8.07 4.05 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 89 L 8.33 4.12 0.00 1.87 1.84 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.20 4.00 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 91 A 7.52 4.13 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 92 L 7.01 4.47 0.00 1.37 0.74 0.43 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.26 0.00 2.12 2.04 0.00 3.30 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 94 P 0.00 4.48 0.00 2.06 2.01 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 L 8.15 4.41 0.00 1.75 1.72 0.82 0.86 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 96 D 10.29 4.51 0.00 2.76 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 L 7.63 4.79 0.00 1.54 1.48 0.96 0.89 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 98 E 8.36 4.38 0.00 1.86 1.80 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 2.36 2.31 0.00 99 V 7.94 4.58 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 0.61 0.00 0.00 0.88 0.00 0.00 100 A 8.47 3.94 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 0.00 101 E 8.91 3.90 0.00 2.00 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 2.39 2.35 0.00 102 D 8.06 4.40 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.68 3.72 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 1.00 0.00 0.00 0.93 0.00 0.00 104 R 7.90 3.88 0.00 1.91 2.08 0.00 3.13 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 1.62 1.67 0.00 105 N 8.00 4.52 0.00 2.76 2.87 0.00 0.00 7.02 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 0.00 106 L 7.89 4.23 0.00 1.89 1.87 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.53 3.96 0.00 1.82 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.17 0.00 2.26 2.41 0.00 3.66 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 2.17 2.06 0.00 109 E 8.09 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 110 L 8.06 3.90 0.00 1.81 1.67 0.90 0.77 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 0.00 111 A 8.14 3.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.46 2.35 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 0.00 113 A 7.59 3.96 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 0.00 114 L 8.24 4.08 0.00 1.86 1.87 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.76 3.51 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 0.50 0.00 0.00 0.96 0.00 0.00 116 V 7.86 3.56 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 1.03 0.00 0.00 1.11 0.00 0.00 117 A 8.38 4.12 1.54 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 0.00 0.00 118 Y 8.81 4.07 0.00 3.09 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 0.00 119 A 8.69 4.48 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.96 0.00 1.96 2.04 0.00 3.18 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 121 V 7.86 3.67 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 1.04 0.00 0.00 1.15 0.00 0.00 122 L 7.69 3.87 0.00 1.94 1.68 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.36 4.03 0.00 1.94 1.99 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 124 E 7.80 4.28 0.00 2.32 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 2.27 2.38 0.00 125 L 7.79 4.13 0.00 1.80 1.71 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.39 4.40 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.07 2.14 0.00 3.74 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 128 A 7.70 4.63 1.26 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 0.00 0.00 0.00 129 L 7.67 4.63 0.00 1.53 1.44 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.59 4.54 0.00 1.76 1.78 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.37 7.81 131 N 7.59 5.60 0.00 2.60 2.65 0.00 0.00 7.37 7.69 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 0.00 132 P 0.00 4.29 0.00 1.87 1.83 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 133 Q 8.39 4.76 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 134 T 8.56 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 135 E 7.92 4.82 0.00 1.79 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 2.34 2.18 0.00 136 H 8.31 4.42 0.00 3.14 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.28 4.40 0.00 3.28 3.31 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.21 3.87 0.00 2.17 2.16 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 2.41 2.30 0.00 139 R 7.70 3.92 0.00 2.03 1.99 0.00 3.09 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 1.62 1.75 0.00 140 A 7.93 3.89 0.82 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 0.00 0.00 141 E 8.20 3.51 0.00 1.95 1.60 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 1.47 1.88 0.00 142 R 7.73 3.97 0.00 1.97 2.03 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 143 V 7.86 3.80 2.37 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 1.09 0.00 0.00 0.98 0.00 0.00 144 F 8.68 4.05 0.00 3.72 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.67 4.77 0.00 3.00 3.03 0.00 0.00 7.15 8.70 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 0.00 146 L 7.77 4.25 0.00 1.80 1.74 0.95 1.39 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 0.00 147 L 7.76 4.74 0.00 1.47 1.58 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.58 4.33 0.00 1.65 1.50 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.