NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4461 8.4029 121.7390 56.1366 31.3336 174.8963 4 K 5.1826 8.5922 127.2767 52.8623 36.4689 173.5122 5 Y 4.5786 9.8078 123.2604 56.2333 41.6978 174.3151 6 I 3.9939 7.9840 128.3564 60.8893 38.1540 175.7795 7 V 4.1801 7.9217 127.4800 61.1507 33.1092 175.4442 8 T 4.2000 8.1825 118.3628 60.2796 70.4579 175.7997 9 W 4.2845 8.7358 121.9067 60.1353 29.0878 178.3576 10 D 4.4416 8.3082 118.1778 57.8763 40.3630 178.7670 11 M 4.0256 7.7812 118.6360 58.2007 31.8679 178.5254 12 L 4.0638 8.0115 120.5939 58.3175 42.2815 178.8929 13 Q 4.0241 8.2516 119.5080 59.1220 28.9966 178.2406 14 I 3.7152 7.6048 120.7293 64.6997 37.1547 178.1700 15 H 4.2444 8.1502 116.8355 58.7549 28.5301 177.7262 16 A 4.0029 8.2630 122.7926 55.2928 18.0574 179.9584 17 R 3.9430 8.1917 116.5798 59.0302 29.8710 179.1769 18 K 3.9588 7.6086 118.6039 59.2373 32.3949 178.4104 19 L 4.0256 8.0429 120.5845 58.0172 42.1251 178.7441 20 A 4.0243 8.0993 120.7314 55.2596 17.7429 179.7811 21 S 4.1321 7.9070 113.7872 61.7604 62.6751 176.7849 22 R 4.1928 7.7060 118.8847 57.9624 30.0470 177.8442 23 L 4.5883 7.4049 116.6047 54.5339 42.3423 176.8299 24 M 4.4102 7.0970 118.5892 54.1204 32.6707 174.5924 25 P 4.5553 0.0000 0.0000 62.5495 32.5058 176.6562 26 S 4.6702 8.4832 113.0371 60.0908 63.6597 176.1266 27 E 4.0192 8.0494 120.3482 58.9820 29.2882 177.7316 28 Q 3.8574 7.6440 114.8458 56.7283 29.1203 175.6074 29 W 5.0811 7.5483 121.9424 55.7227 30.7961 176.9820 30 K 3.9728 8.9715 124.8961 56.0432 31.8230 174.3848 31 G 3.9343 6.1811 102.6098 46.5267 0.0000 171.7012 32 I 5.2076 8.2883 119.8725 59.4465 40.9086 175.2534 33 I 4.8209 8.9927 127.5506 59.5893 39.3644 174.4469 34 A 4.8511 9.0367 130.3288 50.7764 20.9699 176.4836 35 V 4.0645 8.4773 122.5118 61.6006 32.1044 175.1842 36 S 4.4467 8.3226 123.8601 58.6182 62.5225 174.1742 37 R 4.3269 8.6961 124.2248 56.7309 31.5844 178.6086 38 G 3.7052 7.7897 106.0312 47.8439 0.0000 174.5926 39 G 3.8404 8.5417 107.5072 45.8617 0.0000 175.5009 40 L 3.8523 7.8126 121.4644 57.7539 41.6205 179.5614 41 V 3.6067 7.2762 117.5184 65.6509 31.6637 176.1393 42 P 4.4675 0.0000 0.0000 65.5251 31.1668 178.8718 43 G 3.5739 8.4325 104.6794 47.5363 0.0000 175.7357 44 A 4.0165 7.9230 123.0491 54.9672 18.3406 179.7411 45 L 3.9718 8.0457 117.5379 57.9250 41.6893 179.7872 46 L 3.9379 7.9942 118.7611 57.7212 41.5872 179.3331 47 A 4.0290 8.1603 120.8044 55.0284 17.8525 179.8075 48 R 3.7956 7.9867 117.1362 59.7304 30.0641 178.6312 49 E 4.0405 8.1506 117.0204 59.2298 29.5337 178.2313 50 L 4.2100 8.5265 116.8408 54.8399 42.1048 177.5020 51 G 3.8624 7.6915 105.2480 46.1908 0.0000 173.3181 52 I 4.1243 7.5963 120.7097 60.4785 37.5974 176.3221 53 R 4.3037 8.5552 123.2848 56.5713 31.2457 175.9279 54 H 4.6491 7.9862 118.7944 54.7780 30.0607 172.7790 55 V 4.8682 8.1731 124.3152 60.8962 33.8033 173.6473 56 D 5.2173 9.5972 126.9658 52.5964 45.1745 173.7890 57 T 5.3097 8.2936 109.6033 59.8129 72.4468 173.8905 58 V 4.4538 8.5050 121.0046 60.4862 34.4603 174.3007 59 C 4.8892 9.2626 125.5154 58.0289 29.6074 172.9526 60 I 4.8849 8.3192 117.7174 58.9973 39.7327 174.6854 61 S 4.8515 9.4267 122.0513 56.7072 64.1884 173.3191 62 S 5.0619 8.3871 123.3554 57.2233 65.9835 173.8983 *63 Y 4.2893 7.7903 116.1174 56.9712 40.2409 172.7771 64 D 4.7895 8.8413 126.8411 53.0790 41.4958 176.9469 65 H 4.8247 9.0143 123.7855 54.4683 29.4553 177.7194 66 D 4.5489 8.6693 128.7219 55.4581 38.4482 174.7173 67 N 4.8417 9.3930 121.7505 53.1221 38.2344 174.5181 68 Q 4.5566 7.8143 119.6574 54.5220 32.3642 173.4630 69 R 4.9110 8.3669 122.7309 54.7126 32.3392 175.0382 70 E 4.5626 8.9314 126.4323 54.6378 31.5051 174.3388 71 L 4.9657 8.5773 129.5891 54.0343 43.8462 177.4354 72 K 4.4670 8.7678 125.9752 53.7407 35.9120 174.0878 73 V 4.2477 8.4535 126.8461 61.3869 31.2209 175.7139 74 L 4.2724 8.9431 130.0701 57.5806 42.2974 177.6657 75 K 4.7358 7.7872 117.3949 55.4538 35.5215 174.6329 76 R 5.0839 8.3203 120.4638 54.5100 32.4316 174.5293 77 A 4.3057 8.6608 125.1286 52.4613 19.2021 178.1090 78 E 4.1325 8.6348 115.8607 56.3719 30.8775 178.9976 79 G 3.9323 8.5133 106.7375 45.9845 0.0000 173.5288 80 D 4.7928 8.6724 118.5367 52.9317 39.9431 177.2624 81 G 3.9861 8.4315 107.2711 46.0039 0.0000 172.7938 82 E 4.4195 8.1495 120.9177 57.6472 29.5598 177.1464 83 G 4.0439 9.3635 114.6566 45.4537 0.0000 171.7855 84 F 5.2137 8.4654 118.2236 55.7578 42.4283 174.9001 85 I 4.2687 8.3423 121.9094 59.7393 39.0815 174.9667 86 V 4.6549 8.2771 128.1821 61.6035 32.9386 174.5411 87 I 5.4107 8.5171 127.7937 58.3044 41.4311 173.4746 88 D 5.2281 8.2002 126.1511 52.4269 45.0993 175.6896 89 D 4.6884 8.9133 122.0909 56.2956 40.5893 175.7501 90 L 5.3048 7.5621 115.8731 55.0335 43.8920 175.1548 91 V 4.0387 8.2121 111.8974 60.1453 34.2624 174.9195 92 D 4.5224 9.1625 126.3027 54.7916 42.2284 176.8494 93 T 4.1669 7.7628 111.7539 61.7250 70.3645 176.1160 94 G 3.9781 8.3763 109.9333 45.4062 0.0000 175.1371 95 G 3.5777 7.9738 108.1342 48.0714 0.0000 176.5137 96 T 3.9112 7.8814 117.7630 66.0764 68.5040 176.4479 97 A 3.6703 8.0594 122.2891 55.1897 18.4133 179.6954 98 V 3.4211 7.7536 116.2862 66.0324 31.1748 178.1062 99 A 3.9396 7.5890 119.9443 55.2427 18.1676 179.7540 100 I 3.6848 7.9264 118.6765 64.4858 36.7747 178.6710 101 R 3.7622 7.9991 119.8123 59.2958 29.5947 178.1749 102 E 4.1097 7.7745 116.7782 58.6688 29.5883 178.2845 103 M 4.0845 7.1955 116.8356 56.1349 33.5934 176.0825 104 Y 4.8072 7.7657 116.6154 55.1479 38.4622 174.0063 105 P 4.4021 0.0000 0.0000 64.5241 32.0969 178.3995 106 K 4.4272 7.8784 116.3175 56.1186 32.0994 175.9439 107 A 4.8785 7.5576 121.2797 51.2012 20.9022 177.7964 108 H 4.8108 8.8660 120.9265 55.0392 30.5019 173.5579 109 F 5.1725 9.2862 129.3903 57.8308 40.3876 174.6547 110 V 5.1613 8.6293 118.7855 58.8434 36.4042 174.4284 111 T 5.4091 7.7122 110.6116 60.6404 72.2767 174.7298 112 I 3.6461 8.4157 121.8918 63.7271 38.3858 176.0822 113 F 5.4124 8.0260 119.8791 55.8991 42.1929 174.8794 114 A 4.6922 8.5706 122.7355 50.7857 22.4847 176.0055 115 K 5.2280 8.5734 122.3651 54.1369 33.7944 176.3363 116 P 4.0612 0.0000 0.0000 65.9763 31.5359 177.7822 117 A 4.0792 8.2672 119.5710 55.1067 18.3493 178.6862 118 G 3.8979 7.8430 102.0941 45.7163 0.0000 175.2254 119 R 3.5841 7.9051 121.0853 59.1962 29.7384 176.1675 120 P 4.4675 0.0000 0.0000 64.0820 31.5675 177.4513 121 L 4.3694 7.8733 117.0249 54.5751 42.2739 176.7240 122 V 4.7156 6.7232 111.9748 59.6700 33.7149 175.7544 123 D 4.6186 8.9511 122.8621 57.0324 41.6296 176.3424 124 D 4.6276 7.7338 114.6345 53.8266 44.4762 174.1958 125 Y 5.8780 8.1071 121.4038 56.2570 41.0760 173.8341 126 V 4.0171 8.5617 116.6583 63.7971 33.6935 175.6871 127 V 4.4939 8.1186 120.2923 61.0223 34.2918 173.9187 128 D 5.2537 8.7651 127.1373 53.5663 42.0587 175.7966 129 I 4.4379 8.2765 123.8870 58.5562 40.6599 173.9728 130 P 4.5968 0.0000 0.0000 62.2020 32.0622 177.2869 131 Q 3.9556 8.6077 122.1004 59.2777 29.0698 177.4081 132 D 4.5364 7.9737 115.1180 55.2239 39.9862 175.9737 133 T 4.5114 7.4137 118.0332 62.6709 69.5792 173.9995 134 W 4.6196 8.9489 135.0000 56.2115 32.3350 175.0126 135 I 4.1674 7.4399 128.5995 60.6361 37.5312 175.2919 136 E 4.2067 8.8283 130.2285 54.5951 30.0213 175.6431 137 Q 3.7143 7.8830 126.2589 54.4182 29.7944 175.9232 138 P 3.6002 0.0000 0.0000 65.0527 31.1872 178.8304 139 W 4.5205 6.5256 113.0827 58.4529 28.1790 176.1421 140 D 4.7525 7.2844 117.6873 54.5644 40.9217 175.3832 141 M 4.7356 7.0248 118.9303 53.9087 34.8632 174.7188 142 G 3.9608 7.8275 105.0836 45.4669 0.0000 173.7326 143 V 3.9394 8.4849 121.1639 61.8449 31.0189 175.5468 144 V 4.6268 7.8619 119.3130 58.7576 35.6030 175.3670 145 F 4.1482 8.8127 123.3140 58.4522 39.5665 174.3985 146 V 4.0396 7.1164 126.5337 59.9001 33.3418 173.3085 147 P 4.1470 0.0000 0.0000 61.8975 31.7537 174.7158 148 P 4.3659 0.0000 0.0000 62.5224 31.7923 177.6315 149 I 3.9167 8.1588 121.4001 63.2040 37.2098 176.1181 150 S 4.5859 7.6239 113.5375 57.3542 66.2012 174.9447 151 G 4.0155 8.4734 113.1113 45.1764 0.0000 174.5562 152 R 4.1878 7.6052 119.6975 56.3842 29.5624 178.2937 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.40 4.45 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 4 K 8.59 5.18 0.00 1.59 1.49 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.07 7.81 5 Y 9.81 4.58 0.00 2.90 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 6 I 7.98 3.99 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.74 0.00 0.00 7 V 7.92 4.18 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 0.90 0.00 0.00 0.72 0.00 0.00 8 T 8.18 4.20 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 1.14 0.00 0.00 9 W 8.74 4.28 0.00 3.42 3.27 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 10 D 8.31 4.44 0.00 2.73 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 11 M 7.78 4.03 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.01 4.06 0.00 1.82 1.95 1.07 1.10 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 13 Q 8.25 4.02 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.60 3.72 1.92 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 1.51 1.02 0.87 0.00 0.00 15 H 8.15 4.24 0.00 3.22 3.14 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.26 4.00 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 17 R 8.19 3.94 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 18 K 7.61 3.96 0.00 1.87 1.96 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 19 L 8.04 4.03 0.00 1.74 1.76 0.85 0.87 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 20 A 8.10 4.02 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 21 S 7.91 4.13 0.00 3.98 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 22 R 7.71 4.19 0.00 1.88 2.00 0.00 3.21 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 23 L 7.40 4.59 0.00 1.83 1.82 0.70 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.10 4.41 0.00 2.07 2.16 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 2.66 2.86 0.00 25 P 0.00 4.56 0.00 2.29 2.02 0.00 3.68 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 1.85 1.88 0.00 26 S 8.48 4.67 0.00 4.17 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 27 E 8.05 4.02 0.00 1.88 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 2.28 2.33 0.00 28 Q 7.64 3.86 0.00 1.52 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 29 W 7.55 5.08 0.00 3.35 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 30 K 8.97 3.97 0.00 1.73 1.72 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.25 7.81 31 G 6.18 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.29 5.21 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.77 0.87 0.00 0.00 33 I 8.99 4.82 1.61 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.68 0.59 0.00 0.00 34 A 9.04 4.85 1.22 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 0.00 0.00 35 V 8.48 4.06 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 0.97 0.00 0.00 1.11 0.00 0.00 36 S 8.32 4.45 0.00 3.87 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 37 R 8.70 4.33 0.00 1.79 1.74 0.00 3.16 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 G 7.79 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 39 G 8.54 3.84 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 0.00 0.00 0.00 40 L 7.81 3.85 0.00 1.61 1.61 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.28 3.61 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 1.55 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.47 0.00 2.22 2.12 0.00 3.69 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 2.28 2.39 0.00 43 G 8.43 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.05 3.97 0.00 1.92 1.76 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.99 3.94 0.00 1.82 1.64 0.80 0.85 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 47 A 8.16 4.03 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 48 R 7.99 3.80 0.00 1.98 2.10 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 8.15 4.04 0.00 1.99 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 2.58 2.43 0.00 50 L 8.53 4.21 0.00 1.68 1.77 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.69 3.86 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 0.00 0.00 0.00 52 I 7.60 4.12 1.88 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 1.33 0.87 0.96 0.00 0.00 53 R 8.56 4.30 0.00 1.80 1.97 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 54 H 7.99 4.65 0.00 3.27 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.17 4.87 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 0.84 0.00 0.00 0.95 0.00 0.00 56 D 9.60 5.22 0.00 2.74 2.42 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 57 T 8.29 5.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 V 8.50 4.45 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 0.89 0.00 0.00 1.07 0.00 0.00 59 C 9.26 4.89 0.00 2.85 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 I 8.32 4.88 1.88 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 1.25 0.69 0.92 0.00 0.00 61 S 9.43 4.85 0.00 3.88 3.76 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 62 S 8.39 5.06 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 Y 7.79 4.29 0.00 1.97 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 0.00 0.00 0.00 64 D 8.84 4.79 0.00 2.53 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 65 H 9.01 4.82 0.00 3.16 3.20 0.00 5.71 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 66 D 8.67 4.55 0.00 2.86 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 0.00 0.00 0.00 0.00 67 N 9.39 4.84 0.00 2.82 2.90 0.00 0.00 5.60 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 68 Q 7.81 4.56 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 69 R 8.37 4.91 0.00 1.84 1.77 0.00 3.24 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 70 E 8.93 4.56 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 71 L 8.58 4.97 0.00 1.55 1.56 0.91 0.84 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 72 K 8.77 4.47 0.00 1.40 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.25 7.81 73 V 8.45 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 74 L 8.94 4.27 0.00 1.68 1.71 0.96 0.86 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 75 K 7.79 4.74 0.00 1.76 1.59 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 76 R 8.32 5.08 0.00 1.89 1.86 0.00 3.02 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 77 A 8.66 4.31 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.63 4.13 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 79 G 8.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.67 4.79 0.00 2.94 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 81 G 8.43 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.15 4.42 0.00 2.16 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 2.34 0.00 83 G 9.36 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 84 F 8.47 5.21 0.00 3.13 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 85 I 8.34 4.27 1.56 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.58 0.00 0.00 86 V 8.28 4.65 2.31 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 1.17 0.00 0.00 0.77 0.00 0.00 87 I 8.52 5.41 1.76 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 1.03 1.46 0.86 0.00 0.00 88 D 8.20 5.23 0.00 2.87 2.46 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 89 D 8.91 4.69 0.00 3.13 3.45 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 90 L 7.56 5.30 0.00 1.64 1.80 0.82 0.44 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 91 V 8.21 4.04 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 0.83 0.00 0.00 0.90 0.00 0.00 92 D 9.16 4.52 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.17 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 1.23 0.00 0.00 94 G 8.38 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 95 G 7.97 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.88 3.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 97 A 8.06 3.67 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 98 V 7.75 3.42 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 0.97 0.00 0.00 0.95 0.00 0.00 99 A 7.59 3.94 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 0.00 100 I 7.93 3.68 1.46 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.85 0.00 0.00 101 R 8.00 3.76 0.00 1.76 1.97 0.00 3.15 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 102 E 7.77 4.11 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 103 M 7.20 4.08 0.00 1.23 1.80 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 104 Y 7.77 4.81 0.00 2.95 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 0.00 105 P 0.00 4.40 0.00 2.20 2.18 0.00 3.47 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 106 K 7.88 4.43 0.00 1.94 1.97 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.43 7.81 107 A 7.56 4.88 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 0.00 108 H 8.87 4.81 0.00 3.57 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.29 5.17 0.00 3.15 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.63 5.16 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 0.92 0.00 0.00 0.75 0.00 0.00 111 T 7.71 5.41 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 112 I 8.42 3.65 1.60 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 1.27 0.85 0.05 0.00 0.00 113 F 8.03 5.41 0.00 2.91 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 0.00 114 A 8.57 4.69 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 5.23 0.00 1.91 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.25 7.81 116 P 0.00 4.06 0.00 2.00 2.12 0.00 3.81 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 2.01 2.08 0.00 117 A 8.27 4.08 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 0.00 118 G 7.84 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 0.00 119 R 7.91 3.58 0.00 1.87 1.98 0.00 3.17 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.23 0.00 120 P 0.00 4.47 0.00 2.07 2.10 0.00 3.79 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 2.02 2.17 0.00 121 L 7.87 4.37 0.00 1.85 1.79 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.72 4.72 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 0.67 0.00 0.00 1.03 0.00 0.00 123 D 8.95 4.62 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.63 0.00 2.68 2.41 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 0.00 125 Y 8.11 5.88 0.00 2.88 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 0.00 126 V 8.56 4.02 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 0.69 0.00 0.00 0.85 0.00 0.00 127 V 8.12 4.49 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 0.95 0.00 0.00 0.59 0.00 0.00 128 D 8.77 5.25 0.00 2.65 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 0.00 129 I 8.28 4.44 1.73 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.66 0.00 0.00 130 P 0.00 4.60 0.00 2.14 1.94 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 131 Q 8.61 3.96 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 7.97 4.54 0.00 2.82 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 0.00 133 T 7.41 4.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 134 W 8.95 4.62 0.00 3.42 3.03 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 0.00 135 I 7.44 4.17 1.26 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.28 0.14 0.00 0.00 136 E 8.83 4.21 0.00 2.07 1.71 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 2.19 2.20 0.00 137 Q 7.88 3.71 0.00 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 6.67 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 138 P 0.00 3.60 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.57 0.00 139 W 6.53 4.52 0.00 3.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.28 4.75 0.00 2.66 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 0.00 141 M 7.02 4.74 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 142 G 7.83 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 0.00 143 V 8.48 3.94 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.86 4.63 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.81 4.15 0.00 2.97 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 0.00 146 V 7.12 4.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 147 P 0.00 4.15 0.00 2.05 2.04 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 148 P 0.00 4.37 0.00 2.38 1.96 0.00 3.64 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 2.15 2.09 0.00 149 I 8.16 3.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.43 0.90 0.00 0.00 150 S 7.62 4.59 0.00 3.92 3.78 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 0.00 151 G 8.47 4.02 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 0.00 0.00 0.00 152 R 7.61 4.19 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.