NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.4843 8.3033 120.3692 56.8374 29.8461 172.6902 -1 H 3.9939 8.9362 122.2448 55.4004 26.4489 173.6486 0 H 4.2741 8.2746 115.2456 56.7913 27.9273 174.8922 1 M 4.4023 7.3771 117.4011 55.3742 32.6453 176.0513 2 K 5.1263 9.1535 120.7341 54.0424 35.9383 177.5839 3 V 3.6239 8.7515 120.3438 66.0082 31.4203 178.2992 4 K 3.9282 8.0707 118.0679 59.7988 32.3017 177.7179 5 D 4.5199 8.0725 118.3899 55.7077 41.3066 177.1202 6 V 4.2286 7.5141 117.9293 63.7388 33.2711 176.4626 7 C 4.6159 8.3356 112.4557 59.3293 29.4941 173.9573 8 K 4.6034 7.7529 118.2440 56.3112 32.6532 176.9270 9 L 4.2099 8.0303 121.2416 56.6623 41.7959 177.4722 10 I 4.4983 7.5293 117.6944 59.0941 40.1159 175.6170 11 S 4.3355 8.6309 118.8343 57.9123 61.2856 172.8569 12 L 4.7779 8.2146 127.0311 52.5563 43.9048 176.4096 13 K 4.5758 8.3260 121.3768 53.7024 33.9808 174.5907 14 P 4.3715 0.0000 0.0000 63.0796 32.0071 175.9508 15 T 4.4244 8.2713 119.1439 62.4222 69.8134 173.7526 16 V 4.8959 8.4055 126.5276 61.1693 34.0892 174.9338 17 V 4.5583 8.9816 120.5545 59.7075 35.7772 174.4978 18 E 5.0079 8.5780 121.1330 54.9386 31.5130 177.8174 19 E 3.9847 8.8479 120.3489 59.1914 29.6702 178.4500 20 D 4.9206 7.8870 115.6044 53.0990 39.9527 176.2559 21 T 3.9893 7.7721 118.5491 63.0969 68.9322 172.4752 22 P 4.8361 0.0000 0.0000 62.3944 32.3029 177.5981 23 I 3.7418 8.4951 122.7964 64.4624 36.8814 178.4853 24 E 3.9156 8.2149 119.8061 59.4100 29.4205 178.4248 25 E 4.2206 8.0721 120.5185 58.4693 29.6630 178.8714 26 I 3.6950 7.5928 119.7552 64.1967 37.1668 178.1959 27 V 3.5891 7.9897 119.2103 66.1292 31.3127 177.6107 28 D 4.3588 8.2518 118.6151 57.6494 40.4790 179.0640 29 R 4.0308 7.8730 117.0288 59.4090 30.2201 178.9473 30 I 3.8580 7.8589 119.4449 64.4094 36.9222 178.5688 31 L 4.0036 7.9775 118.7924 57.5280 41.4376 178.8216 32 E 4.1994 7.9622 118.3825 57.6039 31.1357 176.2110 33 D 4.7894 7.7572 118.1680 51.6112 40.9374 173.7872 34 P 4.5849 0.0000 0.0000 63.8511 31.9542 178.8249 35 V 3.7539 7.6289 118.4121 64.1775 31.7028 176.7588 36 T 3.9996 7.8055 118.5374 63.9146 68.7894 174.0497 37 R 4.6752 9.5436 123.4425 56.2027 33.4607 175.5834 38 T 4.9499 7.8278 114.4689 61.7660 72.3294 173.5686 39 V 3.9134 8.6383 126.8806 62.1839 33.2536 174.4149 40 Y 5.4120 8.3822 124.8747 56.4797 41.1144 174.6880 41 V 4.9750 8.7662 121.1221 61.2339 34.2682 174.3910 42 A 5.3268 8.8967 129.0534 50.3452 22.6800 175.7380 43 R 4.3015 8.6292 119.0202 56.0822 32.6469 175.0102 44 D 4.6710 9.4849 126.5117 55.7687 38.2537 174.2010 45 N 4.2886 8.4163 111.8981 53.7017 36.7011 174.3713 46 K 4.6029 7.5161 118.0230 54.2389 33.9014 175.5953 47 L 4.4194 8.5478 125.9109 55.2700 42.1736 176.8238 48 V 4.4332 8.6501 118.6113 61.3244 34.3652 175.1959 49 G 4.3288 7.7694 106.2274 45.8896 0.0000 171.6575 50 M 5.5397 9.0349 116.0788 53.9369 35.3025 174.6813 51 I 4.7895 9.2599 121.3556 58.5982 40.0350 172.9772 52 P 4.6524 0.0000 0.0000 62.2449 32.1541 178.1999 53 V 3.6417 8.5454 121.6482 66.4121 31.3270 178.2944 54 M 4.1066 8.0305 117.5313 58.4633 32.0677 177.5240 55 H 4.2434 8.1351 118.3148 59.1516 30.1631 176.8265 56 L 3.9421 8.0821 122.2136 57.9594 41.7961 178.7311 57 L 4.0500 8.2052 120.4872 58.0076 42.0795 179.1909 58 K 4.1026 8.2052 118.4775 59.5699 32.0897 179.3589 59 V 3.6750 8.0950 118.8761 66.2927 31.2391 178.3437 60 S 4.4562 8.3773 114.8731 61.6524 62.8111 176.7750 61 G 4.0437 8.6347 108.7196 47.8626 0.0000 175.5429 62 F 4.4535 8.4910 122.8218 61.4820 39.3071 176.7728 63 H 3.7521 8.1915 116.4009 59.0331 29.7209 176.5747 64 F 4.2297 8.0966 117.7796 58.2486 39.2991 176.5097 65 F 4.8863 7.7175 113.1870 56.0644 40.4995 175.2344 66 G 3.7325 8.0234 108.3474 46.1660 0.0000 173.3893 67 F 4.5265 8.5608 122.3650 57.3156 39.6738 174.7904 68 I 4.1884 7.7277 129.2419 58.8908 37.7266 174.0867 69 P 3.9132 0.0000 0.0000 65.1369 31.6416 177.7720 *77 S 4.4058 8.0865 111.5858 57.9522 63.7995 173.6439 78 M 4.1243 7.4375 115.7771 54.2093 31.9538 175.1493 79 K 4.6489 7.9715 119.7450 54.1134 35.8404 175.4932 80 R 4.3546 8.3332 120.2787 55.8667 30.6829 175.8974 81 L 4.2519 8.4635 125.0085 54.8239 42.1243 175.1849 82 I 4.2989 8.1079 121.1724 63.0165 39.7053 177.2410 83 A 3.9827 8.2844 123.1547 53.1561 19.4381 177.4217 84 K 3.7877 8.5270 115.7278 57.5873 29.7914 172.4993 85 N 5.3517 7.4256 115.6026 50.4117 41.6030 175.7709 86 A 4.0405 8.9437 121.3272 55.4554 18.3347 180.3456 87 S 4.2756 8.2001 109.0495 61.0094 63.2311 175.5684 88 E 4.1520 8.0468 120.6516 58.1236 29.3247 177.3970 89 I 4.4050 7.5502 109.4810 60.5965 39.0126 175.6342 90 M 4.4851 7.9160 119.4733 55.6383 31.8263 175.8123 91 L 4.8192 8.6289 120.5497 52.6363 45.3521 175.5665 92 D 4.7967 8.6522 120.7477 53.9876 41.2442 175.1158 93 P 4.3901 0.0000 0.0000 62.6969 32.0701 175.6322 94 V 4.1712 8.3499 121.2805 61.1747 33.0053 173.9523 95 Y 4.9909 7.4387 123.7620 55.7029 41.7710 173.7361 96 V 4.5779 8.5840 112.1091 59.9841 36.3187 174.2112 97 H 5.2888 8.8782 118.1863 54.0466 32.1260 175.6513 98 M 4.0472 8.8040 118.5677 58.6488 31.7995 178.0781 99 D 4.7550 7.9221 114.9851 54.4537 41.7509 176.7138 100 T 3.9790 7.6681 118.2194 62.6573 69.2548 172.0720 101 P 4.6307 0.0000 0.0000 62.8751 32.8811 176.8980 102 L 3.9645 8.7395 124.5649 58.5447 41.9770 179.3530 103 E 3.9731 8.1346 116.7958 59.4359 29.5110 178.6281 104 E 3.9249 8.1687 119.5810 58.8758 29.7907 178.4576 105 A 4.0041 7.9549 120.7349 54.9676 18.4141 179.4030 106 L 3.9306 8.0995 118.9783 58.0048 42.1281 179.0607 107 K 3.9180 8.0407 119.6779 59.4264 32.1625 178.7117 108 L 3.9483 7.9536 119.1551 58.0440 41.5874 179.2650 109 M 4.0774 8.0232 118.4302 58.5801 32.0778 178.9517 110 I 3.7044 7.8462 119.5361 64.6707 37.1387 178.2368 111 D 4.4185 8.2862 118.5825 56.9329 40.7461 177.7769 112 N 4.6536 7.9770 113.6519 51.7337 39.8157 174.1543 113 N 4.1615 7.7788 118.2165 54.8785 37.9750 173.1030 114 I 4.7260 7.7570 108.6884 59.4098 41.0492 175.1246 115 Q 4.7367 8.2884 117.9507 55.2164 30.8819 174.2774 116 E 5.2776 7.9859 117.9563 55.7611 32.6133 174.2934 117 M 5.2314 9.3077 125.9078 53.1242 37.0542 172.7610 118 P 4.7071 0.0000 0.0000 62.1825 33.8599 174.5493 119 V 4.7538 8.3796 121.5056 61.5045 33.2243 175.0570 120 V 4.9032 8.4690 120.9253 59.7295 34.8540 176.0014 121 D 4.7593 8.2220 122.6023 52.8156 41.4880 176.0642 122 E 4.3607 8.6722 120.4595 56.8548 29.7833 177.2693 123 K 4.4685 8.0435 116.5044 57.2446 33.0512 176.6636 124 G 3.7077 8.2102 105.2537 47.0186 0.0000 173.2392 125 E 4.7942 7.8467 118.2387 53.9131 31.6946 175.3975 126 I 4.3239 8.1425 123.6618 61.4603 37.4487 176.1267 127 V 4.3109 8.1439 118.1268 60.9486 33.6417 175.3573 128 G 4.0630 7.3217 105.9963 46.2294 0.0000 171.4987 129 D 5.2591 8.7087 117.8200 52.5844 44.8296 174.6569 130 L 5.1773 9.1209 124.8873 53.4330 45.2875 174.8260 131 N 5.7133 9.0801 122.4274 50.2631 40.9170 175.4490 132 S 4.2086 8.8930 114.3818 61.7493 62.6151 176.8097 133 L 4.0662 8.0026 122.0910 57.5527 41.4710 178.9281 134 E 4.0011 8.7131 118.7356 59.4588 29.3907 179.4930 135 I 3.7613 7.5314 118.9530 64.3507 37.1827 178.4774 136 L 4.1916 8.1515 119.8693 57.6578 41.3806 179.1058 137 L 3.9964 8.3285 120.3139 58.2564 41.5990 178.5999 138 A 4.0192 8.0522 120.4324 55.5493 18.0772 179.7137 139 L 3.8809 7.8110 115.7094 57.2366 41.8114 179.0087 140 W 4.6459 8.1878 116.6038 57.3950 29.7147 177.4636 141 K 4.2739 8.4470 117.4114 57.1711 32.1564 177.0137 142 G 3.9815 7.3291 106.7116 43.5726 0.0000 173.1290 143 R 4.0406 8.2469 119.6535 55.9348 30.6203 175.9037 144 E 3.9471 8.9144 126.4607 59.0628 30.0328 176.3144 145 K 4.1496 7.9375 122.5666 56.5865 32.3054 176.0424 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 H 8.30 4.48 0.00 3.09 3.20 0.00 5.99 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.94 3.99 0.00 3.31 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.27 4.27 0.00 3.27 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.38 4.40 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 2 K 9.15 5.13 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.34 7.81 3 V 8.75 3.62 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 4 K 8.07 3.93 0.00 1.91 2.06 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.44 7.81 5 D 8.07 4.52 0.00 2.80 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 6 V 7.51 4.23 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 1.11 0.00 0.00 0.95 0.00 0.00 7 C 8.34 4.62 0.00 3.37 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 8 K 7.75 4.60 0.00 1.74 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 9 L 8.03 4.21 0.00 1.75 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.53 4.50 2.01 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 1.20 0.63 0.93 0.00 0.00 11 S 8.63 4.34 0.00 3.84 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 12 L 8.21 4.78 0.00 1.68 1.57 1.05 0.93 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 13 K 8.33 4.58 0.00 1.70 1.74 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.49 7.81 14 P 0.00 4.37 0.00 2.23 2.38 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 15 T 8.27 4.42 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 1.16 0.00 0.00 16 V 8.41 4.90 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 0.89 0.00 0.00 1.07 0.00 0.00 17 V 8.98 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.01 0.00 0.00 18 E 8.58 5.01 0.00 1.91 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 2.27 2.43 0.00 19 E 8.85 3.98 0.00 2.04 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 2.42 2.32 0.00 20 D 7.89 4.92 0.00 2.78 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 21 T 7.77 3.99 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 1.22 0.00 0.00 22 P 0.00 4.84 0.00 2.18 1.97 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 23 I 8.50 3.74 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.94 0.00 0.00 24 E 8.21 3.92 0.00 2.05 1.96 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 2.39 2.39 0.00 25 E 8.07 4.22 0.00 2.11 2.08 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 2.31 2.21 0.00 26 I 7.59 3.70 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.91 0.00 0.00 27 V 7.99 3.59 2.24 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 1.11 0.00 0.00 1.01 0.00 0.00 28 D 8.25 4.36 0.00 2.88 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 29 R 7.87 4.03 0.00 1.96 1.99 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 30 I 7.86 3.86 1.98 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 1.49 0.85 0.90 0.00 0.00 31 L 7.98 4.00 0.00 1.73 1.73 0.91 1.19 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 32 E 7.96 4.20 0.00 2.12 1.97 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 2.32 2.45 0.00 33 D 7.76 4.79 0.00 2.68 2.45 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 34 P 0.00 4.58 0.00 2.21 2.15 0.00 3.82 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 1.98 1.95 0.00 35 V 7.63 3.75 2.08 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 0.80 0.00 0.00 0.94 0.00 0.00 36 T 7.81 4.00 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 1.12 0.00 0.00 37 R 9.54 4.68 0.00 1.68 1.91 0.00 3.08 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 38 T 7.83 4.95 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 1.29 0.00 0.00 39 V 8.64 3.91 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 0.95 0.00 0.00 0.85 0.00 0.00 40 Y 8.38 5.41 0.00 2.96 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 41 V 8.77 4.98 2.13 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 1.02 0.00 0.00 0.98 0.00 0.00 42 A 8.90 5.33 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 43 R 8.63 4.30 0.00 1.82 1.74 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 44 D 9.48 4.67 0.00 2.85 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 45 N 8.42 4.29 0.00 2.87 2.93 0.00 0.00 7.09 7.61 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 46 K 7.52 4.60 0.00 1.87 1.66 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.47 7.81 47 L 8.55 4.42 0.00 1.42 1.42 0.88 0.60 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 48 V 8.65 4.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 49 G 7.77 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 0.00 0.00 0.00 0.00 50 M 9.03 5.54 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 51 I 9.26 4.79 1.88 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 1.29 0.80 0.96 0.00 0.00 52 P 0.00 4.65 0.00 2.22 2.00 0.00 3.65 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 2.13 2.12 0.00 53 V 8.55 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 54 M 8.03 4.11 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 55 H 8.14 4.24 0.00 3.29 3.50 0.00 5.92 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 56 L 8.08 3.94 0.00 1.84 1.87 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.21 4.05 0.00 1.99 1.89 0.97 0.72 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 58 K 8.21 4.10 0.00 2.08 1.91 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.68 7.81 59 V 8.09 3.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.81 0.00 0.00 60 S 8.38 4.46 0.00 4.22 4.13 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 61 G 8.63 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 0.00 0.00 0.00 62 F 8.49 4.45 0.00 3.37 3.32 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 63 H 8.19 3.75 0.00 3.14 3.17 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.10 4.23 0.00 2.66 2.23 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 65 F 7.72 4.89 0.00 3.31 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 66 G 8.02 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 67 F 8.56 4.53 0.00 3.11 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.73 4.19 1.72 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.77 0.00 0.00 69 P 0.00 3.91 0.00 1.99 2.14 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 *77 S 8.09 4.41 0.00 3.79 3.82 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 78 M 7.44 4.12 0.00 1.82 1.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.13 0.00 79 K 7.97 4.65 0.00 1.71 1.75 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.30 7.81 80 R 8.33 4.35 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 81 L 8.46 4.25 0.00 1.56 1.51 0.71 0.83 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 82 I 8.11 4.30 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.91 0.00 0.00 83 A 8.28 3.98 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 84 K 8.53 3.79 0.00 1.90 1.77 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.29 7.81 85 N 7.43 5.35 0.00 3.05 2.89 0.00 0.00 5.96 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.94 4.04 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 87 S 8.20 4.28 0.00 4.00 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 88 E 8.05 4.15 0.00 2.13 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 0.00 2.35 2.42 0.00 89 I 7.55 4.40 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.67 0.91 0.00 0.00 90 M 7.92 4.49 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 91 L 8.63 4.82 0.00 1.58 1.56 0.75 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.65 4.80 0.00 2.57 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 93 P 0.00 4.39 0.00 2.37 2.14 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 94 V 8.35 4.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 95 Y 7.44 4.99 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.58 4.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 97 H 8.88 5.29 0.00 3.07 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 8.80 4.05 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 99 D 7.92 4.75 0.00 2.67 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 0.00 100 T 7.67 3.98 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 1.22 0.00 0.00 101 P 0.00 4.63 0.00 2.15 2.00 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 102 L 8.74 3.96 0.00 1.84 1.68 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.13 3.97 0.00 2.21 2.18 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 2.35 2.36 0.00 104 E 8.17 3.92 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 2.36 2.41 0.00 105 A 7.95 4.00 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 0.00 106 L 8.10 3.93 0.00 1.74 1.82 0.93 0.40 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 0.00 107 K 8.04 3.92 0.00 1.95 2.09 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 108 L 7.95 3.95 0.00 1.92 1.67 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.02 4.08 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 110 I 7.85 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 0.92 0.00 0.00 111 D 8.29 4.42 0.00 2.65 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 0.00 112 N 7.98 4.65 0.00 2.87 2.84 0.00 0.00 7.11 8.01 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 0.00 113 N 7.78 4.16 0.00 2.82 2.83 0.00 0.00 6.89 7.39 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 0.00 114 I 7.76 4.73 1.92 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 1.32 0.89 1.00 0.00 0.00 115 Q 8.29 4.74 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 116 E 7.99 5.28 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 117 M 9.31 5.23 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 118 P 0.00 4.71 0.00 1.68 0.79 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.35 0.00 119 V 8.38 4.75 2.08 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 1.11 0.00 0.00 0.97 0.00 0.00 120 V 8.47 4.90 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 0.44 0.00 0.00 0.46 0.00 0.00 121 D 8.22 4.76 0.00 2.75 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 0.00 122 E 8.67 4.36 0.00 1.90 1.96 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 2.23 2.33 0.00 123 K 8.04 4.47 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.30 7.81 124 G 8.21 3.71 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 0.00 0.00 0.00 125 E 7.85 4.79 0.00 2.30 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 2.46 2.43 0.00 126 I 8.14 4.32 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 1.19 0.34 0.88 0.00 0.00 127 V 8.14 4.31 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 0.70 0.00 0.00 0.99 0.00 0.00 128 G 7.32 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.71 5.26 0.00 2.70 2.54 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 0.00 130 L 9.12 5.18 0.00 1.77 1.59 0.99 0.68 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 0.00 131 N 9.08 5.71 0.00 3.08 2.91 0.00 0.00 6.40 7.51 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 0.00 132 S 8.89 4.21 0.00 4.12 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 0.00 133 L 8.00 4.07 0.00 1.85 1.78 0.94 1.00 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 0.00 134 E 8.71 4.00 0.00 2.21 2.18 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 2.36 2.56 0.00 135 I 7.53 3.76 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.93 0.00 0.00 136 L 8.15 4.19 0.00 1.94 1.89 0.97 0.61 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 0.00 137 L 8.33 4.00 0.00 1.93 1.91 0.95 1.34 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 0.00 138 A 8.05 4.02 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 0.00 0.00 0.00 0.00 0.00 139 L 7.81 3.88 0.00 1.46 1.26 0.84 0.82 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 0.00 140 W 8.19 4.65 0.00 3.40 3.23 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 0.00 141 K 8.45 4.27 0.00 1.89 1.91 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.58 7.81 142 G 7.33 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 0.00 143 R 8.25 4.04 0.00 1.79 1.89 0.00 3.25 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 144 E 8.91 3.95 0.00 1.95 1.96 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 2.23 2.14 0.00 145 K 7.94 4.15 0.00 1.77 1.69 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.