NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3041 8.2876 121.4683 56.0029 31.3897 176.4961 3 H 4.4983 8.1647 111.7558 56.4813 28.6033 173.7070 4 D 4.5255 8.4555 122.4808 53.9845 42.1797 177.4478 5 E 4.1389 8.5644 123.4075 56.6856 30.0806 176.4455 6 R 4.6525 8.1667 117.8248 55.2750 32.3414 174.1179 7 T 4.5405 8.0989 108.7880 60.1206 71.0888 173.3217 8 H 4.5191 8.5026 121.8503 55.3184 30.6571 174.9840 9 V 4.1181 7.7893 126.2227 60.0382 31.4595 173.0181 10 P 4.1417 0.0000 0.0000 62.4367 31.7185 176.3514 11 V 4.3050 8.1255 122.2332 61.0663 32.7657 174.9958 12 E 4.2883 8.9117 127.7553 58.5485 30.1588 177.3156 13 L 5.0215 8.2940 118.0553 52.9013 46.0246 176.2196 14 R 5.2249 8.5378 118.9780 54.5319 34.5569 174.0265 15 A 5.3139 9.0534 123.1137 50.1892 23.1359 174.8202 16 A 5.2119 9.2856 121.3101 50.5156 22.9911 175.7847 17 G 4.5438 9.5111 108.5286 45.2491 0.0000 171.4749 18 V 5.1758 8.4439 111.8628 59.5740 35.9634 176.4014 19 V 4.1527 9.0585 123.6458 61.4738 33.0263 173.9324 20 L 5.2238 8.2330 130.6315 52.6719 43.7667 174.8791 21 L 6.0194 8.9230 125.7334 52.4274 44.9999 176.2778 22 N 4.7862 8.2598 119.1171 51.3710 39.6815 175.2784 23 E 4.1933 8.6144 116.4682 59.2208 29.4759 178.0918 24 R 4.2988 8.1344 115.5150 55.8847 30.6983 177.0843 25 G 2.8757 7.6433 106.6266 44.5438 0.0000 173.6186 26 D 4.6758 8.1767 120.0125 54.1905 42.2289 175.0430 27 I 4.6736 8.4559 122.2065 59.1393 40.4524 174.0807 28 L 4.2801 8.2262 131.4367 54.3202 42.4439 175.7526 29 L 5.1301 8.9226 125.7954 52.9475 46.3112 175.4432 30 V 4.7548 9.1809 120.8459 61.2276 34.4460 173.9469 31 Q 4.2230 8.5520 128.6414 53.8912 31.0452 174.8766 32 E 4.5913 8.6399 125.7612 55.7477 31.1750 176.3639 33 K 4.0622 8.5800 124.0018 55.8515 31.5654 177.4096 34 G 4.0109 8.4446 116.3661 44.3806 0.0000 170.4210 35 I 4.0141 8.4114 118.3057 61.8233 38.3548 177.1989 *38 H 4.6098 8.9267 120.6706 55.5286 30.4382 172.5929 39 P 4.4810 0.0000 0.0000 64.3829 31.2372 177.3220 40 E 4.2067 8.0802 115.8514 57.3557 30.3061 176.5295 41 K 4.6250 7.5240 118.1264 55.3643 34.4243 176.5329 42 A 4.3226 8.5065 123.3691 51.3212 19.5247 177.6198 43 G 4.1583 8.2722 106.5107 45.7114 0.0000 173.3715 44 L 4.6809 8.4808 120.6259 54.1110 43.6856 175.7173 45 W 5.3448 9.1808 120.2886 55.6578 32.0656 175.0719 46 H 5.5382 9.2286 118.0399 54.1353 32.0765 172.5882 47 I 4.3908 8.4375 112.3706 59.8440 38.9756 173.9778 48 P 4.6025 0.0000 0.0000 63.2451 32.0655 175.4958 49 S 4.8765 8.8732 118.5172 57.8987 66.3738 172.6309 50 G 4.4732 8.6281 108.1000 45.9783 0.0000 172.6163 51 A 4.7315 8.6970 121.8737 51.8695 19.1842 177.1762 52 V 4.3125 8.4166 121.8823 61.2181 32.9663 175.9631 53 E 4.1045 9.8160 128.1483 55.7808 30.0386 175.9591 54 D 4.5095 8.5253 122.2097 56.1495 41.4349 176.6580 55 G 3.9830 9.1365 115.7110 45.0314 0.0000 172.8526 56 E 4.4081 7.6200 117.0768 54.6719 31.4287 176.0437 57 N 4.4296 8.3926 118.2779 53.0431 40.0648 174.0419 58 P 4.2769 0.0000 0.0000 65.6423 31.3296 178.5020 59 Q 2.5200 8.1848 118.5464 58.6784 28.8809 177.9448 60 D 4.1626 8.0115 119.2551 57.0789 40.8888 178.3947 61 A 3.9330 7.9100 121.2659 54.9343 18.3323 179.4363 62 A 4.0890 7.7930 119.3354 55.2610 18.4858 180.0842 63 V 3.3986 7.2449 116.5972 66.0056 31.6231 178.2473 64 R 3.8182 7.8364 118.3353 59.6507 30.1286 178.3565 65 E 4.1122 8.6261 118.5290 59.2535 29.3919 179.2727 66 A 3.9887 7.9693 120.9636 55.3220 18.4258 179.2787 67 C 4.4948 7.8501 118.0626 62.1333 31.3868 175.5867 68 E 3.9696 8.1252 119.4694 59.3244 29.3404 178.6821 69 E 4.2034 8.2001 118.1414 58.0842 29.7733 178.0490 70 T 4.4463 8.0500 107.8424 60.5164 69.8941 176.0553 71 G 3.9635 8.2608 109.7412 45.5148 0.0000 173.0584 72 L 4.5969 7.5566 120.2084 52.9631 43.4985 175.6233 73 R 4.5733 8.2990 121.3849 55.7008 31.1396 176.1248 74 V 4.9713 8.4139 116.4863 59.5027 35.6247 175.1949 75 R 4.6811 8.7681 121.7566 53.5746 32.7800 173.6018 76 P 4.7304 0.0000 0.0000 63.0442 31.4667 176.2340 77 V 4.3114 8.6745 123.2304 63.9693 33.6890 175.6739 78 K 4.6290 7.7421 117.9852 55.1616 35.4158 174.2260 79 F 3.8875 9.1736 129.5477 58.4040 39.4838 174.3990 80 L 4.2590 7.5700 125.8085 54.5887 43.2861 176.8453 81 G 3.9958 5.3800 104.9072 46.1037 0.0000 171.2512 82 A 5.3418 8.4366 120.6341 50.4633 22.3499 175.0092 83 Y 4.9619 8.5152 117.4945 55.4472 42.1813 173.4299 84 L 5.0250 8.7303 122.1901 53.4507 44.1427 175.5602 85 G 4.2415 8.8202 111.8791 44.3323 0.0000 171.2017 86 R 4.9540 8.1057 120.1406 54.2013 32.8345 175.3062 87 F 4.6100 9.1805 125.3198 56.1974 39.9505 174.5816 88 P 4.3400 0.0000 0.0000 66.0450 31.0726 177.3727 89 D 4.5281 8.0939 114.2801 53.7741 39.7000 176.8911 90 G 4.0251 8.4544 109.3267 45.0684 0.0000 174.2981 91 V 3.9829 8.3485 121.2816 63.1415 32.6935 174.8274 92 L 5.0282 9.1336 127.9232 53.5752 43.9558 175.3669 93 I 5.0190 8.5192 122.6226 59.1458 41.5276 173.5086 94 L 4.8769 8.8941 131.9256 53.6168 43.8074 175.0226 95 R 4.8985 8.2426 126.2571 55.2364 32.0477 175.2471 96 H 5.2263 9.1846 120.5487 53.9053 32.0886 173.2772 97 V 4.7723 7.8600 121.8495 60.8113 34.5805 174.2424 98 W 4.9579 8.9508 126.8067 54.5694 32.9232 174.4300 99 L 4.8125 9.2807 125.1332 54.8536 42.8522 175.5203 100 A 5.3147 9.2028 126.4447 50.3896 23.4264 174.3238 101 E 4.9041 8.9644 118.3212 53.8416 32.9254 174.0989 102 P 4.8721 0.0000 0.0000 62.2254 32.6360 175.9261 103 E 4.3346 8.7693 122.2390 55.5649 30.0555 175.4162 104 P 4.3474 0.0000 0.0000 63.7467 32.0380 175.6076 105 G 3.8973 8.5896 105.1228 47.1898 0.0000 173.5576 106 Q 4.7460 8.1162 116.4547 53.8702 31.6714 175.2962 107 T 4.6000 8.1025 116.8366 61.2200 70.7640 174.2301 108 L 4.0721 8.6289 128.1456 55.4601 42.5789 177.0327 109 A 4.6770 8.1356 127.4046 49.2418 19.0168 173.5185 110 P 4.3320 0.0000 0.0000 62.3915 32.8040 176.0674 111 A 4.1167 7.9293 124.8112 50.2975 19.4367 177.1795 112 F 4.7149 7.8611 121.5717 58.2461 39.7190 175.4104 113 T 4.7560 8.5438 115.7107 60.0576 71.6690 173.9752 114 D 4.6304 8.7321 119.5370 56.2544 40.9964 176.8939 115 E 4.5279 8.3157 117.9852 55.8491 31.8764 175.2712 116 I 4.6313 7.2628 118.6390 59.5119 39.2641 176.5063 117 A 4.1612 9.0781 130.6572 54.1402 19.4023 176.5647 118 E 5.1901 7.5288 110.4683 56.8171 32.6627 175.0793 119 A 5.3096 8.4292 119.7115 51.2186 22.4373 175.4017 120 S 4.5360 8.8995 112.8610 57.8784 66.9173 174.9395 121 F 4.8702 8.8673 119.5345 56.8070 39.8910 175.5766 122 V 4.5343 8.7733 123.4644 60.7487 34.4620 175.5479 123 S 5.2222 8.5839 121.0712 57.2830 64.2637 175.0487 124 R 4.1273 8.6154 121.9465 59.2112 29.5764 178.4033 125 E 4.0082 8.1565 117.7427 59.6861 29.4800 178.9986 126 D 4.3770 8.1614 118.5544 56.9597 40.8293 178.6218 127 F 3.9870 8.6558 121.5761 61.1634 39.4361 176.9445 128 A 4.1962 8.2489 120.4262 55.2863 18.1320 179.7679 129 Q 3.9042 7.7840 116.5597 59.1397 28.7943 178.6907 130 L 3.9098 8.0419 120.3494 57.8294 41.5763 179.0553 131 Y 3.7481 8.0943 119.4548 60.6954 38.5860 178.0049 132 A 3.9284 7.8807 119.8855 54.6629 18.5112 178.4568 133 A 4.3070 7.7518 116.8504 51.5467 18.8894 177.3752 134 G 3.6725 7.7255 105.5017 47.1536 0.0000 174.6613 135 Q 4.5518 8.3445 117.1156 55.4085 30.3213 175.2835 136 I 4.6864 7.4934 121.0153 59.9040 37.7782 175.1543 137 R 4.1394 8.9975 129.1086 59.3403 30.3226 176.3860 138 M 4.6745 8.0094 118.5530 53.1956 34.0796 176.4973 139 Y 4.5183 8.5100 122.9676 60.1600 37.9602 178.3829 140 Q 3.7548 7.3991 119.4567 58.7916 28.5010 178.5552 141 T 4.0430 8.1800 117.3385 66.6323 68.4593 176.3942 142 K 4.1059 8.3710 121.5388 59.2980 32.2731 178.8423 143 L 3.8051 7.6777 118.8212 58.0008 41.5135 179.4885 144 F 4.7124 8.0388 119.0065 59.9002 38.9090 177.2982 145 Y 4.2103 8.4171 119.5722 60.5960 38.5158 177.7992 146 A 3.9028 8.1616 121.8408 55.1250 18.4061 179.3255 147 D 4.2622 8.0059 116.8926 57.5279 40.9679 178.8165 148 A 4.1914 8.4027 121.5098 55.2904 18.3242 179.6571 149 L 4.1491 8.3144 117.7560 57.9837 41.7275 180.0497 150 R 3.9106 8.0079 117.9404 59.4002 29.8478 178.8401 151 E 4.0093 8.3463 117.3465 59.2284 29.6072 178.8864 152 K 4.3169 8.1917 115.4256 56.0216 32.4761 177.5186 153 G 3.7062 7.6678 107.2627 46.0715 0.0000 173.8280 154 F 4.7261 8.0713 118.0059 55.0126 40.3859 174.2334 155 P 4.3787 0.0000 0.0000 62.2314 31.7208 176.7390 156 A 4.1470 8.2049 124.0705 51.4437 19.0808 177.5111 157 L 3.9602 8.0523 119.3919 54.1581 42.1977 175.9482 158 P 4.0907 0.0000 0.0000 64.4462 31.9346 176.7490 159 V 3.6607 8.2996 119.5125 62.2521 32.9491 173.6413 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 E 8.29 4.30 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 2.28 2.38 0.00 3 H 8.16 4.50 0.00 3.36 3.37 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.46 4.53 0.00 2.68 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 5 E 8.56 4.14 0.00 1.95 1.89 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 2.31 2.24 0.00 6 R 8.17 4.65 0.00 1.87 1.86 0.00 3.18 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 T 8.10 4.54 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 1.22 0.00 0.00 8 H 8.50 4.52 0.00 3.08 3.26 0.00 5.88 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 9 V 7.79 4.12 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 0.87 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.14 0.00 2.08 2.00 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 11 V 8.13 4.30 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 0.87 0.00 0.00 0.92 0.00 0.00 12 E 8.91 4.29 0.00 1.93 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 2.34 2.43 0.00 13 L 8.29 5.02 0.00 1.69 1.59 1.03 0.90 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 14 R 8.54 5.22 0.00 1.74 1.81 0.00 3.11 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 15 A 9.05 5.31 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 16 A 9.29 5.21 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 17 G 9.51 4.54 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 18 V 8.44 5.18 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 0.75 0.00 0.00 0.95 0.00 0.00 19 V 9.06 4.15 2.11 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 1.03 0.00 0.00 0.97 0.00 0.00 20 L 8.23 5.22 0.00 1.75 1.51 1.20 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.92 6.02 0.00 1.64 1.54 1.09 1.25 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 22 N 8.26 4.79 0.00 2.64 2.35 0.00 0.00 6.13 7.66 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 23 E 8.61 4.19 0.00 1.98 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 0.00 2.31 2.29 0.00 24 R 8.13 4.30 0.00 1.96 1.89 0.00 3.19 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 25 G 7.64 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 0.00 0.00 0.00 26 D 8.18 4.68 0.00 2.68 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.46 4.67 0.56 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.34 0.32 0.00 0.00 28 L 8.23 4.28 0.00 0.94 1.33 0.30 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.92 5.13 0.00 1.70 1.86 1.04 0.74 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 30 V 9.18 4.75 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 0.92 0.00 0.00 0.92 0.00 0.00 31 Q 8.55 4.22 0.00 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 32 E 8.64 4.59 0.00 1.84 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 2.37 2.32 0.00 33 K 8.58 4.06 0.00 1.73 1.83 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 34 G 8.44 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.41 4.01 1.86 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 1.50 0.99 0.90 0.00 0.00 *38 H 8.93 4.61 0.00 3.22 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.48 0.00 2.04 2.11 0.00 3.71 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 2.09 0.00 40 E 8.08 4.21 0.00 2.08 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 2.29 2.31 0.00 41 K 7.52 4.62 0.00 1.79 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.39 7.81 42 A 8.51 4.32 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 43 G 8.27 4.16 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 0.00 0.00 0.00 44 L 8.48 4.68 0.00 1.84 1.68 0.96 0.92 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 45 W 9.18 5.34 0.00 3.30 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 46 H 9.23 5.54 0.00 3.26 3.46 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.44 4.39 2.14 0.00 0.00 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 1.47 0.69 0.99 0.00 0.00 48 P 0.00 4.60 0.00 2.10 2.02 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 49 S 8.87 4.88 0.00 3.91 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 50 G 8.63 4.47 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 0.00 51 A 8.70 4.73 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 52 V 8.42 4.31 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 0.79 0.00 0.00 0.94 0.00 0.00 53 E 9.82 4.10 0.00 1.98 1.84 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 2.55 2.38 0.00 54 D 8.53 4.51 0.00 2.62 2.60 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 0.00 0.00 0.00 55 G 9.14 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 56 E 7.62 4.41 0.00 2.07 1.94 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 2.48 2.21 0.00 57 N 8.39 4.43 0.00 2.75 2.85 0.00 0.00 6.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.28 0.00 2.48 2.04 0.00 3.70 0.00 0.00 3.86 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 59 Q 8.18 2.52 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 60 D 8.01 4.16 0.00 2.76 2.61 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 61 A 7.91 3.93 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 62 A 7.79 4.09 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 63 V 7.24 3.40 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 0.95 0.00 0.00 0.83 0.00 0.00 64 R 7.84 3.82 0.00 1.89 1.99 0.00 3.13 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 1.69 1.64 0.00 65 E 8.63 4.11 0.00 2.00 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 2.52 2.37 0.00 66 A 7.97 3.99 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 67 C 7.85 4.49 0.00 3.07 3.07 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 0.00 0.00 0.00 68 E 8.13 3.97 0.00 2.09 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 2.58 0.00 69 E 8.20 4.20 0.00 2.03 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 2.30 2.53 0.00 70 T 8.05 4.45 4.16 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 1.14 0.00 0.00 71 G 8.26 3.96 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 0.00 0.00 0.00 72 L 7.56 4.60 0.00 1.75 1.61 1.00 0.97 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 73 R 8.30 4.57 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 74 V 8.41 4.97 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 0.74 0.00 0.00 0.91 0.00 0.00 75 R 8.77 4.68 0.00 1.71 1.80 0.00 3.13 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 76 P 0.00 4.73 0.00 1.89 1.76 0.00 3.66 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 77 V 8.67 4.31 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 0.81 0.00 0.00 1.08 0.00 0.00 78 K 7.74 4.63 0.00 1.92 1.65 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.48 7.81 79 F 9.17 3.89 0.00 2.92 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 80 L 7.57 4.26 0.00 1.00 1.54 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 G 5.38 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 82 A 8.44 5.34 1.19 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 0.00 0.00 0.00 83 Y 8.52 4.96 0.00 3.09 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 84 L 8.73 5.03 0.00 1.65 1.59 0.94 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 85 G 8.82 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 0.00 0.00 0.00 0.00 86 R 8.11 4.95 0.00 1.73 1.73 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 87 F 9.18 4.61 0.00 3.26 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 88 P 0.00 4.34 0.00 2.09 2.19 0.00 3.87 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 2.12 2.18 0.00 89 D 8.09 4.53 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.45 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 91 V 8.35 3.98 2.44 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 1.06 0.00 0.00 1.10 0.00 0.00 92 L 9.13 5.03 0.00 1.79 1.53 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.52 5.02 2.02 0.00 0.00 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 1.07 1.69 0.58 0.00 0.00 94 L 8.89 4.88 0.00 1.75 1.52 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.24 4.90 0.00 0.67 1.43 0.00 3.03 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 96 H 9.18 5.23 0.00 3.26 2.98 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.86 4.77 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 0.00 0.00 0.70 0.00 0.00 0.71 0.00 0.00 98 W 8.95 4.96 0.00 3.34 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 99 L 9.28 4.81 0.00 1.78 1.74 1.03 1.40 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 0.00 100 A 9.20 5.31 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 0.00 101 E 8.96 4.90 0.00 1.93 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 0.00 2.27 2.27 0.00 102 P 0.00 4.87 0.00 2.16 2.18 0.00 3.83 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 2.02 2.08 0.00 103 E 8.77 4.33 0.00 2.07 1.93 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 2.35 2.41 0.00 104 P 0.00 4.35 0.00 2.18 2.06 0.00 3.89 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 1.99 1.97 0.00 105 G 8.59 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 0.00 106 Q 8.12 4.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 107 T 8.10 4.60 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 0.00 108 L 8.63 4.07 0.00 1.73 1.68 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.14 4.68 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 0.00 110 P 0.00 4.33 0.00 1.67 1.97 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 111 A 7.93 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.86 4.71 0.00 3.09 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 0.00 113 T 8.54 4.76 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 1.27 0.00 0.00 114 D 8.73 4.63 0.00 2.67 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 0.00 115 E 8.32 4.53 0.00 1.98 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 0.00 2.21 2.37 0.00 116 I 7.26 4.63 2.04 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 1.17 0.95 0.97 0.00 0.00 117 A 9.08 4.16 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 0.00 118 E 7.53 5.19 0.00 2.26 2.25 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 2.15 2.28 0.00 119 A 8.43 5.31 1.18 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 0.00 0.00 120 S 8.90 4.54 0.00 3.91 4.05 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 0.00 121 F 8.87 4.87 0.00 2.98 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 0.00 122 V 8.77 4.53 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 1.04 0.00 0.00 0.54 0.00 0.00 123 S 8.58 5.22 0.00 4.06 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 0.00 124 R 8.62 4.13 0.00 1.86 1.96 0.00 3.27 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.40 0.00 125 E 8.16 4.01 0.00 2.12 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 2.41 2.48 0.00 126 D 8.16 4.38 0.00 2.73 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 0.00 127 F 8.66 3.99 0.00 3.36 3.46 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 0.00 0.00 0.00 0.00 128 A 8.25 4.20 1.48 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 0.00 0.00 129 Q 7.78 3.90 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 130 L 8.04 3.91 0.00 1.51 1.52 0.41 0.66 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 0.00 131 Y 8.09 3.75 0.00 2.59 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.88 3.93 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 0.00 133 A 7.75 4.31 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 0.00 134 G 7.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.34 4.55 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 136 I 7.49 4.69 2.04 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 1.12 0.61 1.25 0.00 0.00 137 R 9.00 4.14 0.00 1.89 2.20 0.00 3.31 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 138 M 8.01 4.67 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 139 Y 8.51 4.52 0.00 3.45 3.39 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 0.00 140 Q 7.40 3.75 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 141 T 8.18 4.04 4.62 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 1.46 0.00 0.00 142 K 8.37 4.11 0.00 1.78 1.75 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.49 7.81 143 L 7.68 3.81 0.00 1.32 1.23 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.04 4.71 0.00 3.09 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 0.00 145 Y 8.42 4.21 0.00 2.76 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 0.00 146 A 8.16 3.90 1.31 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 0.00 147 D 8.01 4.26 0.00 3.04 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.40 4.19 1.53 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 0.00 0.00 149 L 8.31 4.15 0.00 1.73 1.72 0.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.01 3.91 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 151 E 8.35 4.01 0.00 2.13 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 2.54 2.55 0.00 152 K 8.19 4.32 0.00 2.01 1.83 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.75 1.83 7.81 153 G 7.67 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 0.00 154 F 8.07 4.73 0.00 3.15 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 0.00 155 P 0.00 4.38 0.00 2.06 2.00 0.00 3.86 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 2.09 2.13 0.00 156 A 8.20 4.15 1.19 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 0.00 0.00 0.00 157 L 8.05 3.96 0.00 1.55 1.60 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.09 0.00 2.05 2.02 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 159 V 8.30 3.66 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.