NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4811 8.3049 118.1925 54.9038 33.3651 176.5654 2 L 3.7884 8.0170 119.2691 55.2646 42.2852 175.3533 3 G 3.8692 8.6982 106.5068 46.3809 0.0000 172.7430 4 L 4.5841 7.5432 116.6145 53.8927 43.4987 177.2143 5 K 4.6645 8.2126 118.2869 56.3620 33.6084 176.9862 6 T 4.3514 7.9320 108.7944 61.7062 69.6975 174.2235 7 S 4.5439 8.8586 117.8348 60.0137 64.1382 175.4866 8 I 4.3417 8.3485 118.4356 62.5165 39.3581 175.4685 9 I 4.3328 7.9607 121.0483 62.2337 37.2262 175.8864 10 G 4.0729 9.2350 114.7662 45.1133 0.0000 174.2336 11 R 4.0513 7.8294 118.8282 58.4024 30.5361 176.8784 12 R 4.7102 7.8277 117.2966 54.3535 33.5747 174.0875 13 V 4.9633 8.5674 125.1227 61.2044 34.5733 174.3159 14 I 4.4165 9.1888 129.1525 59.9576 39.0064 173.8619 15 Y 5.8694 8.4325 128.3108 55.4570 40.7425 174.6137 16 F 4.2551 7.7148 122.9762 55.4909 42.2398 175.9571 17 Q 4.1533 8.4224 121.9552 58.0747 29.5416 175.8911 18 E 5.0118 7.8332 116.7937 54.8122 33.0845 173.8787 19 I 4.2358 8.2249 124.2014 60.3346 41.9802 175.0932 20 T 4.1908 8.4225 114.9814 63.1385 69.6656 174.6345 21 S 4.5760 7.6318 120.7078 54.9260 64.7005 174.5058 22 T 3.8716 8.9355 120.5183 64.6098 67.6405 175.6734 23 N 4.3973 7.8453 121.1772 56.0895 39.2015 176.5114 24 E 4.0710 8.0300 119.3189 58.7987 29.6083 179.1355 25 F 4.1119 8.2425 121.1034 61.2034 39.2788 177.1874 26 A 3.9351 7.7652 118.6784 54.7581 18.1575 179.4817 27 K 4.0671 7.7029 116.8623 59.1705 32.3558 178.7568 28 T 4.2533 7.6006 106.9602 61.1860 69.6895 174.6537 29 S 4.5031 6.8651 117.7333 56.8105 64.8917 173.5486 30 Y 4.3361 8.3249 124.9043 56.7593 37.8840 174.4433 31 L 4.5650 7.4720 126.0291 52.0485 45.3502 176.3913 32 E 3.9441 8.1735 120.7010 55.6269 30.2497 176.1479 33 E 3.9211 8.3973 125.0013 57.4408 30.4132 176.7728 34 G 4.1250 9.2140 113.7070 47.5863 0.0000 172.3326 35 T 4.8158 7.7317 116.3619 61.9961 70.5018 174.0499 36 V 4.5384 8.6848 127.3774 62.0199 33.2288 174.6417 37 I 5.1803 9.2310 130.6720 59.9483 38.7272 175.2256 38 V 5.1924 8.9548 126.6236 59.9259 34.6329 174.5995 39 A 5.5509 8.6722 123.6747 49.5376 21.9529 175.8810 40 D 4.7421 8.8226 120.1191 57.2372 42.3544 176.9397 41 K 5.1664 7.8860 116.0302 56.3206 36.3231 175.0247 42 Q 5.0536 8.4102 123.2507 55.0500 29.1812 175.9462 43 T 4.0917 9.5388 115.4017 63.0152 70.1312 174.6769 44 M 4.8826 7.5330 122.0037 54.1791 31.9973 175.5717 45 G 3.9336 7.8899 107.2607 46.7120 0.0000 172.5815 46 H 6.0699 7.7547 115.9682 53.2558 31.5839 173.9051 47 G 4.0848 8.6391 107.9328 45.5164 0.0000 173.4279 48 A 4.1098 8.5052 126.5143 52.8493 19.0941 177.4717 49 L 3.3738 8.7308 121.0527 56.4262 38.8359 174.2888 50 N 4.2014 8.6302 111.4624 53.8302 36.5682 174.7188 51 R 4.1337 7.3693 113.7843 56.4963 30.8807 175.2595 52 K 4.4865 8.5081 121.3578 55.4648 32.8746 175.4548 53 W 4.5203 8.5186 135.0000 55.6220 31.7338 175.4875 54 E 3.7357 7.9289 127.5966 56.0952 29.2678 177.8193 55 S 3.4036 7.8038 122.6094 55.9038 61.9777 171.8108 56 P 4.8534 0.0000 0.0000 61.3112 33.0552 176.3407 57 E 5.0212 7.9133 116.5401 57.1457 30.2914 176.9689 58 G 3.9942 9.0549 108.7072 45.0672 0.0000 173.2245 59 G 3.7581 7.1059 105.4898 44.0239 0.0000 172.6351 60 L 4.0836 7.6722 122.2316 53.1080 43.5722 175.3786 61 W 5.5892 8.2714 127.1948 54.9997 31.6503 174.4442 62 L 5.5266 8.7553 124.4465 54.5106 44.4421 175.3307 63 S 5.2153 9.3470 114.3103 57.0209 67.8049 173.3981 64 I 4.6367 8.3576 123.0273 59.4178 40.5452 174.9103 65 V 4.1964 8.3936 127.8459 62.6522 32.5989 174.8383 66 L 4.9668 9.4079 127.6877 52.3064 45.8588 176.4693 67 S 5.1215 8.5425 114.5482 55.3424 62.5329 173.2315 68 P 4.4146 0.0000 0.0000 63.5228 32.1172 177.9337 69 K 4.3788 8.4791 126.7114 55.1928 30.6975 174.9117 70 V 4.5309 7.0252 112.0062 58.1686 36.3128 174.2288 71 P 4.2951 0.0000 0.0000 63.2265 31.6307 177.9293 72 Q 3.8213 8.9483 122.3763 58.8145 28.8203 178.4772 73 K 4.5224 8.1325 114.8413 58.4996 33.0754 177.5965 74 D 4.7869 8.8526 120.3877 55.4776 41.2196 178.2261 75 L 4.1197 7.6918 119.8264 57.6106 41.6847 177.4631 76 P 4.0486 0.0000 0.0000 65.5515 31.1458 178.4982 77 K 3.7913 8.0311 116.7382 58.7295 31.7818 179.0982 78 I 3.3202 7.7795 120.7460 63.7733 36.8140 178.3606 79 V 3.3733 7.4321 119.5646 65.7677 31.1187 178.0763 80 F 4.4565 7.5638 117.8544 60.4514 38.7134 177.6826 81 L 3.6345 7.9771 119.0959 58.4361 40.1817 179.6081 82 G 3.4165 7.8039 106.7647 47.5548 0.0000 175.3990 83 A 3.9515 7.8282 123.9207 54.8295 18.4139 179.6431 84 V 3.6445 8.7315 117.8666 66.2912 31.4639 178.2321 85 G 3.7234 8.3699 105.5806 47.8781 0.0000 175.6941 86 V 3.5430 7.7392 120.4480 65.7034 31.5680 177.9601 87 V 3.5655 7.8033 117.9848 66.1512 31.0661 177.2822 88 E 3.9241 8.2866 117.6548 60.0265 29.6083 178.8819 89 T 4.1548 8.2645 115.5749 66.3491 68.4292 176.9426 90 L 4.0833 8.3533 121.7854 57.6709 41.5186 179.3520 91 K 4.6038 8.3141 121.0411 59.0248 31.8452 178.7133 92 E 4.0132 7.9050 118.2855 58.0692 29.5246 177.8979 93 F 4.6777 8.1206 117.0315 57.2093 40.6523 175.8814 94 S 3.7998 7.5379 110.8734 59.3187 61.4666 172.1838 95 I 4.3400 8.1006 121.5699 59.6074 38.6569 174.6874 96 D 4.6676 8.5973 124.3902 52.8328 40.5888 175.0735 97 G 4.2412 8.3347 113.4630 44.5520 0.0000 171.3105 98 R 4.9884 8.7190 122.4564 54.0319 34.0702 174.9685 99 I 4.4394 9.2049 125.1753 61.0464 38.6839 174.7162 100 K 4.7645 9.2747 129.3599 54.0730 33.7449 175.3971 101 W 4.5001 9.1699 135.0000 57.7927 30.8886 173.4829 102 P 4.4141 0.0000 0.0000 62.4198 32.4502 174.9808 103 N 4.9648 7.9081 114.9987 52.3232 39.1744 173.0494 104 D 5.4366 8.1996 119.1131 52.8522 44.4119 175.1526 105 V 4.8024 8.7130 122.3192 61.2874 33.7712 174.4322 106 L 5.3168 8.9980 127.8946 53.0891 44.8315 176.0885 107 V 4.3164 8.5691 121.2653 61.0518 33.6872 175.1005 108 N 3.6300 8.7619 127.7619 54.6808 35.0654 175.0307 109 Y 3.9271 7.6967 111.3755 58.5582 36.3926 170.0974 110 K 4.6376 7.3372 119.2172 54.4092 34.2786 175.4541 111 K 4.5650 8.2245 124.5533 56.5883 32.5732 176.7287 112 I 4.5921 9.0220 127.5436 60.8801 40.2301 174.6886 113 A 5.3637 7.8771 121.5346 51.0783 22.5663 175.2633 114 G 4.2785 8.9597 106.5423 44.2938 0.0000 171.7985 115 V 4.8363 8.0421 119.8522 60.6926 34.7625 175.1156 116 L 4.3897 9.0660 128.8786 53.4667 44.6890 174.6735 117 V 4.5706 8.1519 126.6910 61.5323 32.7310 174.6773 118 E 4.6466 9.0575 127.7336 54.5378 32.2715 175.4684 119 G 4.5140 8.6196 110.5280 44.4904 0.0000 172.5123 120 K 4.3602 8.9625 121.6927 56.1986 34.4646 176.6481 121 G 3.9752 8.2530 119.2278 47.1011 0.0000 174.9166 122 D 4.5511 8.6542 124.6651 55.5196 41.5313 175.8985 123 K 4.5021 7.8825 121.1703 56.2391 33.5064 175.8355 124 I 4.9211 9.3107 127.4356 59.4149 41.6930 174.4962 125 V 4.4914 8.6462 125.5586 61.0771 34.2258 174.2836 126 L 4.5339 8.9329 132.2872 53.9433 42.9418 175.1094 127 G 4.3879 8.5706 114.8380 43.9658 0.0000 171.4578 128 I 4.8690 8.6206 125.5388 59.4296 41.1208 174.5350 129 G 4.5528 8.6836 115.2224 44.5292 0.0000 171.6544 130 L 5.2901 9.1054 128.8940 53.0062 45.2680 175.0484 131 N 4.7078 9.2084 124.3907 53.7401 39.1207 173.6614 132 V 4.2931 9.2072 123.1771 62.1508 33.8337 175.5732 133 N 5.0640 8.6987 120.7719 52.8578 40.2232 174.7769 134 N 4.8161 8.0620 116.4787 52.3052 38.7292 174.9955 135 K 4.1775 8.5637 119.7846 56.2698 32.8934 177.1521 136 V 4.2925 7.9884 115.9810 58.8508 34.4614 173.1744 137 P 4.5899 0.0000 0.0000 61.3974 32.3172 175.5447 138 N 4.5051 8.2726 117.2357 54.8317 38.7340 176.1151 139 G 3.8655 9.1216 110.6107 44.9687 0.0000 172.8822 140 A 4.7924 7.1362 120.6485 51.3088 20.9022 175.4258 141 T 4.8089 8.4104 112.0249 61.4816 71.8045 172.2276 142 S 4.7175 8.3379 116.8930 56.1372 66.5537 175.0971 143 M 4.0488 8.7832 120.5916 58.5284 31.5996 179.3981 144 K 4.6188 8.2398 120.4985 59.5972 32.5471 179.2746 145 L 4.0124 7.6330 118.8885 57.3295 41.5487 178.7971 146 E 4.1989 8.0989 117.8465 58.3402 29.6724 178.1114 147 L 4.4489 8.1381 117.3367 54.4155 42.4588 177.8645 148 G 4.0392 9.2961 106.8777 45.1439 0.0000 173.2455 149 S 4.6975 7.3276 112.7399 56.2830 66.1378 173.3113 150 E 4.4237 8.6035 121.2291 56.4105 29.9529 176.5680 151 V 4.2633 8.4819 122.4315 60.4892 33.4453 174.4982 152 P 4.3176 0.0000 0.0000 62.4331 31.8436 177.0899 153 L 3.8875 8.6051 125.9244 57.9726 41.8446 178.4177 154 L 4.1664 7.8438 119.6940 57.6119 42.1905 178.5013 155 S 4.2254 8.1453 114.8778 61.6908 62.7721 176.6871 156 V 3.3456 7.5621 120.1182 65.9938 31.1645 177.2920 157 F 4.0711 8.0901 120.2257 62.1636 39.1571 176.7109 158 R 3.6816 9.0124 117.2041 59.2303 29.9397 178.6843 159 S 4.0396 8.4017 112.2398 61.7147 62.5914 176.5550 160 L 4.4021 8.0051 124.0335 57.9445 41.7848 178.8422 161 I 3.6350 7.6492 119.8851 64.8367 36.4092 178.5935 162 T 3.9267 8.2632 116.8260 66.3706 68.2358 176.7726 163 N 4.3766 8.1321 118.5417 56.3653 38.7217 177.4416 164 L 3.9857 8.3394 120.7159 57.6739 41.7029 179.2835 165 D 4.3455 7.7832 118.0897 57.3681 41.2287 178.3088 166 R 3.9516 7.6941 118.1825 59.4358 30.1206 178.4336 167 L 4.0986 8.1812 118.8840 57.8217 41.5541 178.8914 168 Y 4.2450 8.0308 119.1870 60.3307 38.5462 177.4828 169 L 3.8661 7.9057 119.6266 58.0332 41.8337 179.2756 170 N 4.3237 8.1829 116.3158 56.2307 38.2061 177.1703 171 F 4.1267 7.9108 121.2519 61.4146 39.5434 177.0154 172 L 3.8549 7.7092 117.3289 57.3176 41.3607 179.2655 173 K 4.3303 7.3752 118.0021 58.1573 32.3431 176.5517 174 N 4.2156 7.8247 114.5319 52.2904 40.4515 172.9568 175 P 3.8656 0.0000 0.0000 64.7374 31.8737 178.2222 176 M 4.3032 8.0190 118.3343 57.6721 32.0611 177.8290 177 D 4.5828 7.9101 118.9910 57.5655 40.9508 178.8680 178 I 3.9527 7.8606 118.4253 63.7662 38.1049 177.6930 179 L 3.9982 8.4068 120.5044 57.3991 41.3402 179.2007 180 N 4.3407 7.8261 115.4128 56.1739 38.2949 177.3443 181 L 3.9412 7.7977 118.5858 57.7536 42.0782 179.1353 182 V 3.6536 7.7070 118.0078 66.2531 31.2443 177.7070 183 R 3.8716 7.8418 117.3950 59.9030 29.8232 178.5692 184 D 4.5076 7.9609 117.1439 56.6628 41.1112 176.8706 185 N 5.0320 7.7728 114.6197 52.7634 41.2681 174.4763 186 M 4.5108 8.6222 118.9991 55.6620 33.3671 176.5027 187 I 4.2701 8.9772 125.4987 60.3137 36.1978 174.8969 188 L 4.8369 8.0371 128.6882 53.9294 44.5984 177.0133 189 G 4.2293 8.9538 107.5215 46.9894 0.0000 173.3383 190 V 4.5937 7.0919 117.4916 59.5022 35.7063 173.7893 191 R 4.8482 8.4311 121.1729 55.8198 31.0181 175.5523 192 V 4.5657 8.9228 118.2632 59.9127 37.0283 173.6125 193 K 4.7537 8.5328 122.2314 55.3039 34.5902 175.4735 194 I 5.0534 9.3085 124.8219 61.6825 39.1696 175.7125 *200 F 4.6393 7.7913 114.6114 56.7205 38.8891 172.6815 201 E 4.5671 8.5905 118.9224 55.1575 32.3313 176.6915 202 G 4.1164 8.9927 108.4313 45.7867 0.0000 170.7225 203 I 4.9570 8.2776 121.7937 58.8778 40.7145 176.1406 204 A 4.0980 9.2717 133.0061 52.5439 18.4003 176.5649 205 E 4.2507 9.3476 122.0493 58.3644 30.2448 177.6281 206 D 4.8292 7.3753 118.3542 53.2794 45.1882 173.1858 207 I 5.5918 9.3387 110.5054 58.5853 40.6600 174.7412 208 D 4.7856 8.5091 122.9206 51.8408 41.1690 176.4526 209 D 4.3923 8.9102 118.2401 56.8770 38.7805 177.6151 210 F 4.5094 8.4889 118.0827 58.1783 39.4583 175.4058 211 G 4.2483 8.9863 107.4775 46.7467 0.0000 173.9844 212 R 4.6687 8.7304 119.1070 55.6188 31.8137 175.7189 213 L 4.1369 7.7813 125.2690 54.2275 43.1008 175.9498 214 I 4.3415 8.7314 129.4603 60.8976 38.2648 175.0983 215 I 4.8222 8.2351 129.1434 59.4096 39.4913 175.1725 216 R 4.3604 9.5032 130.0471 55.5221 30.3235 177.0666 217 L 3.9055 8.4812 127.4785 57.5177 42.1762 177.5126 *221 E 4.0354 7.7381 115.5857 55.6662 30.5816 174.9544 222 V 3.9332 8.1913 120.3966 62.6939 32.0869 175.4422 223 K 4.5293 8.5901 126.2181 54.5406 35.4066 175.5164 224 K 4.6509 8.6867 125.4282 55.5142 32.9790 176.9224 225 V 3.9670 8.5581 126.0317 62.0651 32.7714 176.3629 226 I 4.8622 7.9345 122.0996 61.1818 40.3976 174.6400 227 Y 5.0394 7.3974 115.5261 55.6081 41.1176 173.3969 228 G 3.9419 8.5235 105.3517 44.4040 0.0000 172.4899 229 D 5.1424 8.7126 117.5584 52.4910 44.5622 174.8065 230 V 5.6356 8.0146 118.0295 60.4755 34.9309 175.2149 231 S 4.1745 8.3819 116.8470 58.5320 62.5623 173.5985 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 1 M 8.30 4.48 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 2 L 8.02 3.79 0.00 1.79 1.88 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.54 4.58 0.00 1.68 1.62 1.08 0.88 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 5 K 8.21 4.66 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 T 7.93 4.35 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 7 S 8.86 4.54 0.00 3.94 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 8 I 8.35 4.34 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 1.05 0.00 0.00 9 I 7.96 4.33 1.85 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 1.15 0.41 0.82 0.00 0.00 10 G 9.23 4.07 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 0.00 0.00 0.00 11 R 7.83 4.05 0.00 1.82 2.03 0.00 3.17 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 12 R 7.83 4.71 0.00 1.99 1.73 0.00 3.13 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 13 V 8.57 4.96 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 1.04 0.00 0.00 1.15 0.00 0.00 14 I 9.19 4.42 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.90 0.74 0.00 0.00 15 Y 8.43 5.87 0.00 2.91 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 16 F 7.71 4.26 0.00 2.68 2.81 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 0.00 0.00 0.00 17 Q 8.42 4.15 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 18 E 7.83 5.01 0.00 1.90 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 19 I 8.22 4.24 1.37 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 0.91 0.30 0.75 0.00 0.00 20 T 8.42 4.19 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 21 S 7.63 4.58 0.00 3.77 3.69 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 22 T 8.94 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 N 7.85 4.40 0.00 2.76 2.81 0.00 0.00 7.71 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 24 E 8.03 4.07 0.00 2.07 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 2.36 2.47 0.00 25 F 8.24 4.11 0.00 2.95 3.10 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 0.00 0.00 0.00 26 A 7.77 3.94 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 27 K 7.70 4.07 0.00 1.91 1.85 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 28 T 7.60 4.25 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 29 S 6.87 4.50 0.00 3.29 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 30 Y 8.32 4.34 0.00 2.88 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 31 L 7.47 4.57 0.00 1.46 1.40 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.17 3.94 0.00 1.85 1.78 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 2.26 2.26 0.00 33 E 8.40 3.92 0.00 1.96 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 2.27 2.33 0.00 34 G 9.21 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 0.00 0.00 0.00 35 T 7.73 4.82 4.23 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 1.26 0.00 0.00 36 V 8.68 4.54 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 37 I 9.23 5.18 2.01 0.00 0.00 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 1.44 0.99 1.13 0.00 0.00 38 V 8.95 5.19 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 0.88 0.00 0.00 1.01 0.00 0.00 39 A 8.67 5.55 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 40 D 8.82 4.74 0.00 2.94 2.83 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 41 K 7.89 5.17 0.00 2.11 1.97 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.26 7.81 42 Q 8.41 5.05 0.00 1.76 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.12 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 43 T 9.54 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 44 M 7.53 4.88 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 45 G 7.89 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 46 H 7.75 6.07 0.00 3.16 3.25 0.00 5.28 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 47 G 8.64 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 48 A 8.51 4.11 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 49 L 8.73 3.37 0.00 1.83 1.80 0.95 1.10 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 50 N 8.63 4.20 0.00 2.78 2.84 0.00 0.00 7.15 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 51 R 7.37 4.13 0.00 1.95 2.29 0.00 2.86 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 52 K 8.51 4.49 0.00 1.78 1.75 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.41 7.81 53 W 8.52 4.52 0.00 3.42 2.81 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 0.00 0.00 0.00 54 E 7.93 3.74 0.00 1.41 1.62 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 2.01 2.07 0.00 55 S 7.80 3.40 0.00 3.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.85 0.00 2.29 2.19 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 57 E 7.91 5.02 0.00 2.18 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 2.32 2.31 0.00 58 G 9.05 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 59 G 7.11 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 0.00 0.00 0.00 60 L 7.67 4.08 0.00 1.46 1.33 0.92 1.20 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 61 W 8.27 5.59 0.00 3.43 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 62 L 8.76 5.53 0.00 1.86 1.87 0.94 1.27 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 63 S 9.35 5.22 0.00 3.80 3.72 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 64 I 8.36 4.64 1.73 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 1.07 0.82 0.77 0.00 0.00 65 V 8.39 4.20 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 0.86 0.00 0.00 0.87 0.00 0.00 66 L 9.41 4.97 0.00 1.43 1.34 0.60 -0.88 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 67 S 8.54 5.12 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 68 P 0.00 4.41 0.00 2.47 2.50 0.00 3.97 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 2.13 2.20 0.00 69 K 8.48 4.38 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.54 7.81 70 V 7.03 4.53 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 0.66 0.00 0.00 0.98 0.00 0.00 71 P 0.00 4.30 0.00 2.39 2.03 0.00 3.56 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 2.11 2.12 0.00 72 Q 8.95 3.82 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 73 K 8.13 4.52 0.00 2.03 2.02 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 74 D 8.85 4.79 0.00 2.97 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 75 L 7.69 4.12 0.00 1.93 1.76 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.05 0.00 1.72 1.85 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 77 K 8.03 3.79 0.00 2.29 2.16 0.00 2.06 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.70 1.53 7.81 78 I 7.78 3.32 1.77 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 0.77 0.76 0.69 0.00 0.00 79 V 7.43 3.37 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 0.74 0.00 0.00 0.65 0.00 0.00 80 F 7.56 4.46 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.98 3.63 0.00 1.90 1.89 0.87 -0.05 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 82 G 7.80 3.42 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 0.00 83 A 7.83 3.95 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 84 V 8.73 3.64 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 1.07 0.00 0.00 0.98 0.00 0.00 85 G 8.37 3.72 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 0.00 0.00 0.00 86 V 7.74 3.54 2.27 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 1.02 0.00 0.00 0.98 0.00 0.00 87 V 7.80 3.57 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 1.09 0.00 0.00 1.02 0.00 0.00 88 E 8.29 3.92 0.00 2.27 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 2.34 2.38 0.00 89 T 8.26 4.15 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 1.28 0.00 0.00 90 L 8.35 4.08 0.00 1.98 1.92 0.94 0.68 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 91 K 8.31 4.60 0.00 1.99 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.35 7.81 92 E 7.90 4.01 0.00 2.30 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 2.34 2.64 0.00 93 F 8.12 4.68 0.00 2.94 3.08 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 94 S 7.54 3.80 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.10 4.34 2.02 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 1.22 1.31 0.93 0.00 0.00 96 D 8.60 4.67 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.33 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 98 R 8.72 4.99 0.00 1.71 1.87 0.00 3.08 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 99 I 9.20 4.44 1.98 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 1.15 0.83 0.98 0.00 0.00 100 K 9.27 4.76 0.00 1.89 1.77 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 101 W 9.17 4.50 0.00 3.33 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 0.00 102 P 0.00 4.41 0.00 1.30 0.49 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.00 103 N 7.91 4.96 0.00 2.74 2.79 0.00 0.00 6.09 8.07 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 0.00 104 D 8.20 5.44 0.00 2.66 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 0.00 105 V 8.71 4.80 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 1.01 0.00 0.00 0.96 0.00 0.00 106 L 9.00 5.32 0.00 1.72 1.63 1.02 0.94 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 0.00 107 V 8.57 4.32 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 1.09 0.00 0.00 0.94 0.00 0.00 108 N 8.76 3.63 0.00 2.90 2.90 0.00 0.00 7.20 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 0.00 109 Y 7.70 3.93 0.00 3.19 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 0.00 110 K 7.34 4.64 0.00 2.06 1.74 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.41 7.81 111 K 8.22 4.56 0.00 1.99 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.62 1.52 7.81 112 I 9.02 4.59 1.92 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 1.16 1.91 1.00 0.00 0.00 113 A 7.88 5.36 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 0.00 114 G 8.96 4.28 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 0.00 115 V 8.04 4.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.85 0.00 0.00 116 L 9.07 4.39 0.00 1.50 1.28 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.15 4.57 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 0.74 0.00 0.00 0.78 0.00 0.00 118 E 9.06 4.65 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 119 G 8.62 4.51 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 0.00 0.00 0.00 120 K 8.96 4.36 0.00 1.68 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 121 G 8.25 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 0.00 122 D 8.65 4.55 0.00 2.82 2.75 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 0.00 0.00 0.00 123 K 7.88 4.50 0.00 1.85 1.67 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.45 7.81 124 I 9.31 4.92 1.98 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 1.12 0.74 0.84 0.00 0.00 125 V 8.65 4.49 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 0.89 0.00 0.00 126 L 8.93 4.53 0.00 1.63 1.41 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.57 4.39 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 0.00 128 I 8.62 4.87 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.41 0.88 0.00 0.00 129 G 8.68 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.11 5.29 0.00 1.71 1.42 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 131 N 9.21 4.71 0.00 2.95 2.80 0.00 0.00 6.04 7.22 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 0.00 132 V 9.21 4.29 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 0.92 0.00 0.00 0.78 0.00 0.00 133 N 8.70 5.06 0.00 2.64 3.01 0.00 0.00 7.21 8.04 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 0.00 134 N 8.06 4.82 0.00 2.89 3.03 0.00 0.00 6.16 7.13 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 0.00 135 K 8.56 4.18 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.47 7.81 136 V 7.99 4.29 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 0.93 0.00 0.00 0.89 0.00 0.00 137 P 0.00 4.59 0.00 2.07 1.87 0.00 3.47 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 138 N 8.27 4.51 0.00 2.69 2.74 0.00 0.00 7.08 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 0.00 139 G 9.12 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.14 4.79 1.29 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 0.00 0.00 0.00 141 T 8.41 4.81 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 1.30 0.00 0.00 142 S 8.34 4.72 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 M 8.78 4.05 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 144 K 8.24 4.62 0.00 2.10 2.34 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.34 7.81 145 L 7.63 4.01 0.00 1.82 1.78 0.93 1.30 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 0.00 146 E 8.10 4.20 0.00 2.12 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 2.53 2.50 0.00 147 L 8.14 4.45 0.00 1.69 1.75 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.30 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 0.00 149 S 7.33 4.70 0.00 3.96 3.92 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 0.00 0.00 0.00 150 E 8.60 4.42 0.00 1.98 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 2.31 2.29 0.00 151 V 8.48 4.26 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 0.63 0.00 0.00 0.90 0.00 0.00 152 P 0.00 4.32 0.00 2.28 2.03 0.00 3.82 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 2.18 2.17 0.00 153 L 8.61 3.89 0.00 1.68 1.62 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.84 4.17 0.00 1.78 1.66 0.90 1.04 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 0.00 155 S 8.15 4.23 0.00 4.32 4.31 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 0.00 156 V 7.56 3.35 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 0.83 0.00 0.00 0.41 0.00 0.00 157 F 8.09 4.07 0.00 3.25 3.19 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 0.00 158 R 9.01 3.68 0.00 2.04 1.94 0.00 3.27 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 159 S 8.40 4.04 0.00 4.08 4.28 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 0.00 160 L 8.01 4.40 0.00 1.76 1.70 0.91 1.19 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 0.00 161 I 7.65 3.63 1.48 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.25 0.73 0.00 0.00 162 T 8.26 3.93 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 1.20 0.00 0.00 163 N 8.13 4.38 0.00 2.89 2.96 0.00 0.00 6.97 6.02 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 0.00 164 L 8.34 3.99 0.00 1.70 1.65 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 165 D 7.78 4.35 0.00 2.85 2.83 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 0.00 166 R 7.69 3.95 0.00 2.02 1.92 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 167 L 8.18 4.10 0.00 1.78 1.76 0.98 0.66 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 0.00 168 Y 8.03 4.24 0.00 3.14 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 0.00 169 L 7.91 3.87 0.00 1.94 1.69 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.18 4.32 0.00 2.80 2.89 0.00 0.00 6.73 8.27 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 0.00 171 F 7.91 4.13 0.00 3.17 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 0.00 172 L 7.71 3.85 0.00 1.64 1.56 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.38 4.33 0.00 1.85 1.81 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.59 7.81 174 N 7.82 4.22 0.00 2.62 2.70 0.00 0.00 7.15 7.36 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 0.00 175 P 0.00 3.87 0.00 2.02 1.73 0.00 3.54 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.46 0.00 176 M 8.02 4.30 0.00 2.06 2.25 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 2.63 2.64 0.00 177 D 7.91 4.58 0.00 2.75 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 0.00 178 I 7.86 3.95 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.37 1.23 0.00 0.00 179 L 8.41 4.00 0.00 1.91 1.70 1.07 0.57 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 0.00 180 N 7.83 4.34 0.00 3.03 2.86 0.00 0.00 6.89 6.62 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 0.00 181 L 7.80 3.94 0.00 1.80 1.74 0.95 0.88 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 0.00 182 V 7.71 3.65 1.90 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 0.58 0.00 0.00 0.69 0.00 0.00 183 R 7.84 3.87 0.00 2.06 1.97 0.00 3.18 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 1.63 1.96 0.00 184 D 7.96 4.51 0.00 2.81 2.74 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 0.00 185 N 7.77 5.03 0.00 2.63 2.79 0.00 0.00 6.47 7.60 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 0.00 186 M 8.62 4.51 0.00 2.00 2.10 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 2.82 2.61 0.00 187 I 8.98 4.27 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 1.09 0.00 0.00 188 L 8.04 4.84 0.00 1.68 1.75 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.95 4.23 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 0.00 0.00 0.00 190 V 7.09 4.59 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 0.76 0.00 0.00 0.91 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 E 9.35 4.25 0.00 1.93 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 2.26 2.22 0.00 206 D 7.38 4.83 0.00 2.64 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 0.00 207 I 9.34 5.59 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.24 1.00 0.00 0.00 208 D 8.51 4.79 0.00 3.00 2.92 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 0.00 0.00 0.00 209 D 8.91 4.39 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 F 8.49 4.51 0.00 3.01 3.40 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 0.00 211 G 8.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 R 8.73 4.67 0.00 2.47 1.99 0.00 3.24 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 213 L 7.78 4.14 0.00 0.27 0.33 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 214 I 8.73 4.34 2.00 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 1.20 0.36 0.88 0.00 0.00 215 I 8.24 4.82 2.05 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.16 0.98 0.00 0.00 216 R 9.50 4.36 0.00 1.94 1.82 0.00 3.13 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 217 L 8.48 3.91 0.00 1.83 1.70 0.55 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 *221 E 7.74 4.04 0.00 2.14 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 0.00 2.22 2.25 0.00 222 V 8.19 3.93 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 0.80 0.00 0.00 0.92 0.00 0.00 223 K 8.59 4.53 0.00 1.71 1.65 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 1.33 7.81 224 K 8.69 4.65 0.00 1.63 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 225 V 8.56 3.97 1.52 0.00 0.00 0.00 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 0.85 0.00 0.00 226 I 7.93 4.86 1.89 0.00 0.00 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 1.84 1.47 0.88 0.00 0.00 227 Y 7.40 5.04 0.00 3.12 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 0.00 228 G 8.52 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 0.00 0.00 0.00 229 D 8.71 5.14 0.00 2.80 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 0.00 230 V 8.01 5.64 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 0.92 0.00 0.00 1.04 0.00 0.00 231 S 8.38 4.17 0.00 3.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.