NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4867 8.1927 115.4177 58.2133 64.7693 173.3945 3 L 3.5814 8.2028 119.8996 56.4586 41.8764 177.1034 4 R 3.2548 7.8971 118.6579 59.1570 30.4690 177.4943 5 S 3.9917 7.5072 112.2292 61.8010 62.2092 175.9653 6 D 4.3182 7.7261 121.3385 57.1226 40.4128 178.7614 7 L 3.8155 7.5413 120.3490 58.1314 42.0846 178.6593 8 I 3.4801 7.8528 120.1012 64.7414 36.8905 177.8020 9 N 4.3620 8.2055 115.5998 56.6173 38.4803 177.0233 10 A 4.1548 7.4759 120.7745 55.1593 18.5848 179.3124 11 L 4.5513 7.7221 117.7936 56.9111 42.8490 179.0866 12 Y 4.4924 7.7153 117.5445 57.8544 35.9562 175.6525 *18 Y 4.5077 7.6959 126.1376 57.8627 39.4529 176.1379 19 D 5.0112 8.0030 119.2619 52.5761 41.8911 177.2198 20 V 4.3306 7.9430 123.5501 61.2469 33.1967 175.9235 21 C 4.4072 8.5279 119.0562 60.4955 29.4918 173.7735 22 G 3.9593 7.1505 103.2853 45.8745 0.0000 170.9975 23 I 4.2695 8.1539 121.2260 60.1860 38.5112 175.2661 24 I 4.9593 8.3607 127.5242 59.6131 39.8395 174.4791 25 S 4.7905 9.2673 122.2578 56.2062 64.9453 174.9481 26 A 3.6424 8.9345 125.7337 55.8206 18.1583 178.4338 27 E 4.1251 7.7898 112.1569 57.3315 29.4073 177.9028 28 G 4.0059 9.0644 109.7997 44.7140 0.0000 174.1388 29 K 4.2383 7.9829 121.7744 56.9080 32.9968 175.2911 30 I 5.0927 8.9324 128.0943 59.8621 40.1695 174.0920 31 Y 5.1310 9.6036 125.2221 55.2330 40.2602 173.5305 32 P 4.7851 0.0000 0.0000 62.6694 31.8178 176.8894 33 L 4.5442 8.2333 122.9676 55.0337 42.7798 174.0610 34 G 4.1147 8.0071 106.3440 45.0916 0.0000 172.5867 35 S 4.3986 8.5645 114.5209 58.4129 63.0551 173.3664 36 D 4.3468 7.8825 122.0059 54.5962 40.7478 176.7768 37 T 4.0920 8.4267 116.7470 62.9915 69.0904 175.1072 38 K 4.2354 8.5791 123.8937 58.5526 33.1272 178.0524 39 V 3.6001 7.5723 117.9487 65.9049 31.4450 177.7926 40 L 3.3728 7.2532 117.3043 57.6388 41.1901 179.4570 41 S 4.1956 7.3158 109.9860 61.2270 62.3919 175.8898 42 T 4.0957 7.5190 118.2300 66.2197 68.1121 176.9965 43 I 3.7085 7.1878 121.3954 64.3436 36.7588 178.0496 44 F 4.0664 7.3538 117.3596 59.3313 38.4285 176.3747 45 E 4.5922 7.8590 118.7656 57.5145 29.7451 177.8502 46 L 4.0943 8.0558 119.0112 57.8951 41.8791 178.9567 47 F 4.2093 8.5860 115.9156 60.4266 39.1825 177.6325 48 S 4.4020 7.9484 115.3304 61.8971 62.9249 176.6220 49 R 3.6349 7.7801 121.8778 58.7500 29.9276 176.2721 50 P 4.1581 0.0000 0.0000 66.2422 31.3528 177.8163 51 I 3.6222 7.8618 119.8553 64.1803 37.0276 177.8889 52 I 3.5495 7.6147 119.6261 64.6080 36.9487 178.2842 53 N 4.2731 7.9370 117.1014 56.1594 37.9450 177.5484 54 K 3.9487 8.5473 120.4520 60.2574 32.4241 179.1071 55 I 3.8803 7.8329 119.4659 63.0352 37.1843 178.1291 56 A 3.9649 7.7315 121.8392 55.1563 18.3229 178.9890 57 E 3.9367 8.1370 117.9875 59.1566 29.2189 177.9552 58 K 4.6380 7.4349 115.9613 57.1377 33.3202 177.4005 59 H 4.7013 8.3387 113.3410 56.1987 31.7380 174.1831 60 G 4.0793 7.9857 107.2994 46.8293 0.0000 173.3849 61 Y 4.8119 7.4847 113.0135 56.5153 42.1158 176.9367 62 I 3.9942 8.6404 125.7583 60.8906 38.8282 174.9897 63 V 4.5886 8.2640 125.5178 61.3087 33.2620 174.4034 64 E 4.9321 9.2510 127.6447 54.8322 32.1665 174.9183 65 E 4.9599 8.5497 121.0235 53.6972 33.6030 174.0950 66 P 4.3593 0.0000 0.0000 62.4152 31.9496 177.8536 67 K 4.1452 8.5601 122.0235 57.9659 32.3609 177.0362 68 Q 4.5175 7.3200 116.0262 53.7834 31.4178 175.1354 69 Q 4.0631 8.5100 119.8537 57.7018 29.2745 175.6032 70 N 4.4656 8.9074 114.7952 54.8402 35.3486 173.9890 71 H 5.1316 8.0989 112.8270 54.2604 32.9622 172.4978 72 Y 4.6126 8.8335 123.6803 56.0803 40.5397 172.6450 73 P 4.6544 0.0000 0.0000 60.5405 33.9435 173.6441 74 D 4.2977 8.4444 118.8022 57.3569 41.2251 178.1246 75 F 5.1086 8.8929 116.5797 56.1694 43.5130 173.8818 76 T 5.1841 9.2509 120.8579 62.1524 70.6183 173.7277 77 L 5.3805 9.0374 126.5316 53.3112 45.4930 175.1277 78 Y 4.5839 7.9920 119.2656 56.5230 42.1109 173.2111 79 K 4.4123 7.8332 119.2670 54.8082 32.7491 176.1945 80 P 4.0915 0.0000 0.0000 65.7557 31.8516 178.0110 81 S 4.2032 8.2526 113.5466 60.6567 62.8221 174.2435 82 E 4.5413 8.7559 119.2561 53.8581 30.7093 173.7783 83 P 4.1324 0.0000 0.0000 63.3559 32.4834 175.9655 84 N 4.7563 7.8040 115.4922 53.4287 39.1090 175.6395 85 K 4.5946 7.2286 114.5832 54.9118 31.6461 176.2481 86 K 4.5020 8.2276 121.6926 55.4653 34.9098 177.7068 87 I 4.3375 8.7686 123.3582 59.5258 39.8966 174.5125 88 A 4.9987 8.6255 130.3885 50.7353 20.6001 175.5768 89 I 4.9780 9.3044 125.0252 59.6908 40.0934 174.3870 90 D 5.1271 8.6800 125.5679 52.4430 44.0415 174.3962 91 I 4.5346 9.1604 127.9111 60.6978 38.1628 175.5331 92 K 4.8895 8.9933 126.2996 54.9398 35.4475 175.4151 93 T 5.4236 8.5982 118.6709 62.6879 72.6255 172.8308 94 T 4.8658 9.0038 117.6191 61.5626 71.3761 171.4826 95 Y 5.0674 8.1204 122.2348 55.3429 41.0961 174.2824 96 T 4.3663 8.9055 110.0288 60.1216 71.6146 174.8109 97 N 4.5020 8.5111 119.5612 54.9005 39.3982 174.8535 98 K 4.8080 7.4746 118.3829 54.4810 34.6290 173.9403 99 E 4.5863 8.4484 117.2545 55.5923 32.0767 175.7617 100 N 4.1456 8.5696 121.0850 54.7962 37.2170 172.9738 101 E 4.5101 7.8955 116.7329 54.7625 32.0526 175.4179 102 K 4.3930 8.1745 119.1039 56.2760 34.1864 176.7496 103 I 4.3114 9.6169 118.2261 59.6085 40.7662 174.1604 104 K 4.9172 7.2260 116.2340 57.2367 34.6784 174.4761 105 F 5.0515 9.6710 123.2991 55.8874 42.9224 173.3592 106 T 4.9965 8.7595 113.4657 60.3675 69.3466 174.3975 107 L 4.7928 8.8626 131.5394 55.2581 42.4511 175.3437 108 G 3.6891 8.4353 104.2732 44.4018 0.0000 173.1927 109 G 4.0285 8.1365 107.6410 44.0474 0.0000 173.0218 110 Y 4.5319 7.7135 121.2472 56.6773 38.0989 176.2852 111 T 4.6087 7.1244 108.3077 61.2232 71.4853 175.5375 112 S 4.6817 6.8490 124.8537 57.1937 62.5235 176.0936 113 F 4.1518 7.9499 126.2973 61.2850 36.7476 176.5403 114 I 2.8418 6.3315 118.5662 63.2604 36.7114 177.0379 115 R 4.3919 7.3305 116.0103 57.4662 31.7674 177.2392 116 N 4.6375 8.1972 114.6663 52.2108 37.6393 176.4848 117 N 4.6948 8.9891 123.1436 54.3780 40.1536 175.5214 118 T 4.4455 8.1504 106.6925 61.6794 70.8834 174.0912 119 K 3.8739 9.9800 123.6440 57.8012 32.4271 176.2859 120 N 4.1335 8.9698 121.5300 53.6557 36.7420 173.3994 121 I 4.6613 7.3320 118.2995 59.1269 39.5681 175.7102 122 V 3.7858 8.9884 127.0823 65.5398 31.5846 176.0558 123 Y 4.8049 7.9276 114.5413 54.9837 41.1721 173.2546 124 P 4.5527 0.0000 0.0000 63.8039 31.9117 177.4605 125 F 3.9884 9.0357 127.1803 61.3551 39.7369 177.3597 126 D 4.4624 7.7136 116.6579 55.7022 39.5247 176.8525 127 Q 4.1919 9.2893 119.4462 55.9548 28.9292 174.2876 128 Y 4.7982 7.5929 117.5388 56.1706 38.8304 175.7065 129 I 4.0686 8.4197 119.9967 62.9794 38.7301 176.0949 130 A 4.6583 7.6018 122.3178 50.5362 23.1635 174.9329 131 H 5.3617 8.6622 115.8088 53.8444 31.0589 172.6796 132 W 5.3618 8.7840 123.1942 56.1494 31.1458 175.5508 133 I 4.8205 9.1705 123.3028 59.7744 40.1485 174.7229 134 I 4.0115 8.2562 129.6152 60.0436 38.3711 175.4277 135 G 3.2492 7.2194 115.1376 44.1116 0.0000 171.5231 136 Y 5.0047 8.4144 119.0468 55.8250 41.6766 174.6246 137 V 5.2332 8.5466 124.2581 61.3880 34.6025 173.8786 138 Y 5.3697 8.8042 123.5633 55.9828 42.4389 173.8210 139 T 4.8865 8.5449 116.7695 60.9717 70.4872 174.3589 140 R 4.2005 8.9924 126.0452 57.4262 30.6077 176.3086 *150 T 4.1783 8.3731 116.9505 62.5939 68.6289 171.8549 151 Y 5.0085 8.2964 120.1371 56.7883 43.1280 173.9433 152 N 5.2760 8.6860 117.7941 50.5782 40.0350 175.4231 153 I 3.6730 8.4841 119.8113 64.4258 37.9890 176.8724 154 N 4.5166 8.3971 117.4243 56.3980 37.9748 176.7538 155 E 4.3594 8.9352 115.1052 57.0226 29.6570 178.5204 156 L 4.3789 7.6477 120.4998 58.1798 41.7644 178.5805 157 N 4.6071 8.1086 112.4105 53.8930 38.6763 175.0818 158 E 4.4607 9.2506 117.5910 56.3561 30.9299 176.1610 159 I 3.4515 6.9624 119.7906 59.6579 36.6096 174.1107 160 P 4.2768 0.0000 0.0000 62.4485 31.4268 176.7747 161 K 4.2801 8.5126 122.7793 55.9163 32.6733 174.6860 162 P 4.8635 0.0000 0.0000 61.8138 31.5060 174.8395 163 Y 4.8549 7.2123 116.8455 57.3063 39.6344 172.1693 164 K 4.2945 7.9821 119.6595 55.5967 35.9716 174.7680 165 G 3.9386 8.3241 108.2152 46.4725 0.0000 172.9252 166 V 4.4606 7.5991 122.0903 62.7143 33.3361 174.8483 167 K 4.7242 8.8578 123.9789 54.6329 36.2436 175.3772 168 V 4.7175 8.3001 120.7191 60.2245 35.2411 174.5910 169 F 4.5767 7.3180 116.1985 55.8935 40.6482 172.2447 170 L 4.7812 8.2981 125.0383 53.8599 43.6346 174.8625 171 Q 4.5447 8.1767 124.6168 55.4634 33.5533 172.6082 172 D 5.1318 8.3114 123.1948 53.5685 42.0684 177.2747 173 K 3.8542 9.8513 126.6980 59.6263 31.9774 178.9896 174 W 3.3858 7.9603 114.2554 58.5361 28.2746 177.9918 175 V 2.8607 6.7141 119.8355 65.5622 30.8496 177.6959 176 I 3.6057 7.3936 117.3351 62.2100 38.0416 175.4817 177 A 4.3314 7.3579 122.5207 52.8137 18.9474 177.5595 178 G 4.3220 8.7889 112.6894 44.4077 0.0000 172.5128 179 D 4.8484 8.6793 115.9544 52.8982 41.0116 175.8739 180 L 4.6123 7.9848 119.8480 53.6670 42.8685 174.7779 181 A 4.8312 8.1014 122.0421 52.2576 20.4602 180.1588 182 G 3.9109 7.9948 110.1184 48.3724 0.0000 175.1853 183 S 4.7025 8.1201 114.3580 58.9461 70.0800 175.8339 *187 T 3.9515 7.6817 110.1866 61.3038 69.7507 173.3708 188 N 5.4058 8.0812 118.1374 52.4237 40.7354 173.7601 189 I 3.4980 8.9090 122.2380 60.9193 38.6501 175.2507 190 G 4.5369 8.2136 112.7109 44.6871 0.0000 173.7751 191 S 5.3882 8.5538 117.9666 56.9403 65.6360 173.2974 192 I 3.9347 8.7048 114.1788 61.1852 38.7385 175.2379 193 H 5.7440 8.6673 121.4468 54.0768 28.0333 171.7986 194 A 4.9719 7.6151 123.3682 50.2554 23.0929 175.8188 195 H 4.8551 8.7460 111.6846 55.0451 30.2277 175.7583 196 Y 4.2817 8.9384 122.2755 61.2176 38.3798 179.0569 197 K 3.8518 8.1304 118.7236 59.5603 32.2288 178.8979 198 D 4.2437 7.8484 118.9258 56.9249 40.3029 179.0703 199 F 3.5358 7.6781 118.0464 60.1612 38.7683 177.5294 200 V 3.2938 6.5138 116.0835 66.0534 31.3694 177.5217 201 E 4.0553 7.6073 116.6997 59.2330 29.6036 179.0734 202 G 3.9404 7.1923 106.2754 45.8364 0.0000 174.8478 203 K 4.1394 7.5994 121.5544 54.6480 31.0958 176.8293 204 G 4.1670 7.2724 113.9388 44.0119 0.0000 170.5413 205 I 4.1635 8.0595 117.7414 62.7075 39.5762 176.4895 206 F 4.6181 7.6964 116.9612 57.8258 39.2376 174.9964 207 D 4.7857 10.6100 122.9450 54.3095 41.1604 176.2049 208 S 3.9932 7.4551 113.8476 56.5761 64.7662 177.7261 209 E 3.3850 6.6618 120.4117 59.0588 29.1172 178.0684 210 D 4.3839 7.7333 118.4419 57.5736 40.8995 178.3414 211 E 4.0074 8.3795 119.8530 59.0929 29.4900 178.5560 212 F 2.6927 8.1380 120.9956 61.1266 39.3956 176.5057 213 L 3.5353 8.5041 118.9730 58.0013 41.5898 178.7930 214 D 4.4063 8.5744 117.6252 57.8591 41.2320 178.0435 215 Y 3.5978 7.8583 119.7032 60.6651 38.5183 178.3006 216 W 4.3084 7.8704 117.3808 58.8035 29.2112 178.2758 217 R 4.2616 8.0248 118.0544 57.7439 29.7441 177.2260 218 N 5.0034 7.8193 115.0528 51.9260 40.3429 173.8621 219 Y 3.6776 7.4533 121.6028 56.7031 39.2890 174.3247 220 E 3.8482 7.1344 128.2248 58.3330 30.3713 175.7663 *230 Y 4.5084 7.3873 115.3092 57.0159 39.0295 174.2924 231 N 4.8356 8.5091 119.4482 51.9421 40.9906 173.2560 232 N 5.2851 7.9270 114.5177 52.6438 40.7645 174.6040 233 I 3.6136 7.7096 120.1032 64.3077 37.8728 178.2956 234 S 4.1471 8.1484 114.4820 61.6547 63.1508 176.1914 235 E 4.1524 9.0857 122.9920 58.3559 28.8619 178.8053 236 Y 3.9116 7.7584 119.2646 60.4678 39.0543 177.1496 237 R 4.0336 7.8702 117.3302 59.3055 30.3991 178.4026 238 N 4.5026 8.1048 115.7933 56.0622 38.4318 176.9018 239 W 4.4100 7.5741 125.9754 58.8070 30.8166 175.7012 240 I 3.7266 7.5754 123.9501 61.9509 36.9348 175.2061 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 S 8.19 4.49 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.20 3.58 0.00 1.60 1.64 0.56 -0.24 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 4 R 7.90 3.25 0.00 1.69 1.72 0.00 2.82 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.00 5 S 7.51 3.99 0.00 3.91 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 6 D 7.73 4.32 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.54 3.82 0.00 1.81 1.41 0.86 0.69 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 8 I 7.85 3.48 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.60 1.06 0.00 0.00 9 N 8.21 4.36 0.00 2.75 2.94 0.00 0.00 7.12 7.94 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 10 A 7.48 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.72 4.55 0.00 1.41 1.53 0.66 0.91 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 12 Y 7.72 4.49 0.00 3.11 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 *18 Y 7.70 4.51 0.00 3.12 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.00 5.01 0.00 2.70 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 20 V 7.94 4.33 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 0.67 0.00 0.00 1.04 0.00 0.00 21 C 8.53 4.41 0.00 2.96 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 22 G 7.15 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 23 I 8.15 4.27 1.82 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 1.08 1.15 0.73 0.00 0.00 24 I 8.36 4.96 1.89 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 1.58 0.88 0.91 0.00 0.00 25 S 9.27 4.79 0.00 3.85 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 0.00 26 A 8.93 3.64 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 27 E 7.79 4.13 0.00 2.02 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 2.37 2.28 0.00 28 G 9.06 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 29 K 7.98 4.24 0.00 1.97 2.02 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.47 7.81 30 I 8.93 5.09 2.08 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 1.29 1.20 0.94 0.00 0.00 31 Y 9.60 5.13 0.00 2.74 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 32 P 0.00 4.79 0.00 2.11 2.03 0.00 3.53 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 33 L 8.23 4.54 0.00 1.73 1.73 0.78 0.28 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 34 G 8.01 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.56 4.40 0.00 3.98 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 36 D 7.88 4.35 0.00 2.68 2.53 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 37 T 8.43 4.09 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 0.66 0.00 0.00 38 K 8.58 4.24 0.00 1.87 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.41 7.81 39 V 7.57 3.60 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 0.88 0.00 0.00 0.86 0.00 0.00 40 L 7.25 3.37 0.00 1.45 0.82 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.32 4.20 0.00 3.98 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 42 T 7.52 4.10 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 1.18 0.00 0.00 43 I 7.19 3.71 1.36 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.95 0.00 0.00 44 F 7.35 4.07 0.00 2.82 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 45 E 7.86 4.59 0.00 2.07 2.19 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 2.36 2.53 0.00 46 L 8.06 4.09 0.00 1.93 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.59 4.21 0.00 3.00 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 48 S 7.95 4.40 0.00 4.20 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 49 R 7.78 3.63 0.00 2.16 2.05 0.00 3.19 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 50 P 0.00 4.16 0.00 2.36 2.27 0.00 3.67 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 2.06 2.15 0.00 51 I 7.86 3.62 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 0.91 0.00 0.00 52 I 7.61 3.55 1.33 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.63 0.00 0.00 53 N 7.94 4.27 0.00 3.05 2.85 0.00 0.00 6.79 7.05 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 54 K 8.55 3.95 0.00 1.92 2.21 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.47 7.81 55 I 7.83 3.88 1.80 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 1.43 0.77 0.79 0.00 0.00 56 A 7.73 3.96 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 57 E 8.14 3.94 0.00 2.08 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 2.33 2.36 0.00 58 K 7.43 4.64 0.00 2.01 2.00 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.58 7.81 59 H 8.34 4.70 0.00 3.26 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.99 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 61 Y 7.48 4.81 0.00 2.88 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 62 I 8.64 3.99 1.36 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.67 0.00 0.00 63 V 8.26 4.59 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 0.99 0.00 0.00 0.95 0.00 0.00 64 E 9.25 4.93 0.00 2.19 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 2.37 2.51 0.00 65 E 8.55 4.96 0.00 1.79 1.69 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 2.04 2.38 0.00 66 P 0.00 4.36 0.00 2.30 1.96 0.00 3.45 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 2.12 2.17 0.00 67 K 8.56 4.15 0.00 1.70 1.84 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.37 7.81 68 Q 7.32 4.52 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 69 Q 8.51 4.06 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 70 N 8.91 4.47 0.00 2.95 3.01 0.00 0.00 6.73 8.16 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 71 H 8.10 5.13 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.83 4.61 0.00 3.08 2.48 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 73 P 0.00 4.65 0.00 1.62 0.49 0.00 3.76 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 0.00 74 D 8.44 4.30 0.00 2.65 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.89 5.11 0.00 2.84 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 76 T 9.25 5.18 4.53 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 1.46 0.00 0.00 77 L 9.04 5.38 0.00 1.78 1.75 1.00 0.64 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 78 Y 7.99 4.58 0.00 2.68 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 79 K 7.83 4.41 0.00 1.42 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 0.21 7.81 80 P 0.00 4.09 0.00 2.07 2.15 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 81 S 8.25 4.20 0.00 3.81 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 82 E 8.76 4.54 0.00 1.88 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 2.28 2.10 0.00 83 P 0.00 4.13 0.00 1.95 2.00 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 84 N 7.80 4.76 0.00 2.65 2.78 0.00 0.00 6.68 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 85 K 7.23 4.59 0.00 1.42 1.63 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 K 8.23 4.50 0.00 0.79 1.14 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.00 7.81 87 I 8.77 4.34 1.59 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 0.92 1.02 -0.91 0.00 0.00 88 A 8.63 5.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.30 4.98 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 1.07 0.00 0.00 90 D 8.68 5.13 0.00 2.77 2.53 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 91 I 9.16 4.53 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.27 1.11 0.00 0.00 92 K 8.99 4.89 0.00 1.43 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.32 1.55 7.81 93 T 8.60 5.42 4.48 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 1.64 0.00 0.00 94 T 9.00 4.87 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 0.47 0.00 0.00 95 Y 8.12 5.07 0.00 2.22 1.59 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 96 T 8.91 4.37 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 1.07 0.00 0.00 97 N 8.51 4.50 0.00 2.76 2.92 0.00 0.00 6.72 7.49 0.00 0.00 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 K 7.47 4.81 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.34 7.81 99 E 8.45 4.59 0.00 1.94 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 2.18 2.25 0.00 100 N 8.57 4.15 0.00 2.88 2.85 0.00 0.00 7.01 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 0.00 101 E 7.90 4.51 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 102 K 8.17 4.39 0.00 1.43 1.52 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.34 7.81 103 I 9.62 4.31 1.40 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 1.57 0.57 0.77 0.00 0.00 104 K 7.23 4.92 0.00 1.88 2.03 0.00 1.16 0.00 0.00 2.39 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.22 7.81 105 F 9.67 5.05 0.00 2.96 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 0.00 106 T 8.76 5.00 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 1.31 0.00 0.00 107 L 8.86 4.79 0.00 1.55 1.72 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.44 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 0.00 0.00 0.00 109 G 8.14 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 0.00 110 Y 7.71 4.53 0.00 3.34 2.82 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 0.00 111 T 7.12 4.61 4.12 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 0.00 0.00 1.03 0.00 0.00 112 S 6.85 4.68 0.00 2.97 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 0.00 113 F 7.95 4.15 0.00 2.98 3.25 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 0.00 114 I 6.33 2.84 1.27 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.09 0.73 0.00 0.00 115 R 7.33 4.39 0.00 1.91 1.91 0.00 3.19 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 116 N 8.20 4.64 0.00 2.96 3.02 0.00 0.00 6.76 6.50 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 0.00 117 N 8.99 4.69 0.00 3.06 3.07 0.00 0.00 6.69 7.77 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 0.00 118 T 8.15 4.45 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 1.29 0.00 0.00 119 K 9.98 3.87 0.00 1.82 1.76 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 120 N 8.97 4.13 0.00 3.13 2.93 0.00 0.00 6.68 7.49 0.00 0.00 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 I 7.33 4.66 1.28 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.18 0.00 0.00 122 V 8.99 3.79 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 123 Y 7.93 4.80 0.00 3.36 2.82 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 0.00 124 P 0.00 4.55 0.00 2.39 2.15 0.00 3.88 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 2.22 2.19 0.00 125 F 9.04 3.99 0.00 3.02 3.38 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 0.00 126 D 7.71 4.46 0.00 2.92 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 0.00 127 Q 9.29 4.19 0.00 1.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 128 Y 7.59 4.80 0.00 2.96 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 0.00 129 I 8.42 4.07 1.85 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 1.32 0.47 0.85 0.00 0.00 130 A 7.60 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.66 5.36 0.00 3.28 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.78 5.36 0.00 3.40 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 0.00 133 I 9.17 4.82 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.78 0.00 0.00 134 I 8.26 4.01 1.76 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 0.91 0.52 0.47 0.00 0.00 135 G 7.22 3.25 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 0.00 136 Y 8.41 5.00 0.00 2.39 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 0.00 0.00 0.00 137 V 8.55 5.23 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 0.99 0.00 0.00 1.26 0.00 0.00 138 Y 8.80 5.37 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 0.00 139 T 8.54 4.89 4.50 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 1.34 0.00 0.00 140 R 8.99 4.20 0.00 1.92 1.99 0.00 3.37 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 *150 T 8.37 4.18 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 1.06 0.00 0.00 151 Y 8.30 5.01 0.00 2.83 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 0.00 152 N 8.69 5.28 0.00 2.86 2.92 0.00 0.00 5.54 7.27 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 0.00 153 I 8.48 3.67 1.89 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 1.42 0.69 0.93 0.00 0.00 154 N 8.40 4.52 0.00 3.00 2.86 0.00 0.00 6.87 8.63 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 0.00 155 E 8.94 4.36 0.00 2.32 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 2.64 0.00 156 L 7.65 4.38 0.00 1.73 1.75 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.11 4.61 0.00 2.72 2.86 0.00 0.00 6.79 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 0.00 158 E 9.25 4.46 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 159 I 6.96 3.45 1.60 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.70 0.00 0.00 160 P 0.00 4.28 0.00 2.20 2.11 0.00 3.70 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 2.07 0.00 161 K 8.51 4.28 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.41 7.81 162 P 0.00 4.86 0.00 2.24 2.15 0.00 4.37 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 163 Y 7.21 4.85 0.00 3.64 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 0.00 164 K 7.98 4.29 0.00 1.83 1.81 0.00 1.46 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.36 7.81 165 G 8.32 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 0.00 166 V 7.60 4.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.17 0.00 0.00 167 K 8.86 4.72 0.00 1.36 0.74 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.11 1.12 7.81 168 V 8.30 4.72 1.65 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 0.24 0.00 0.00 0.70 0.00 0.00 169 F 7.32 4.58 0.00 2.89 3.06 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 0.00 170 L 8.30 4.78 0.00 1.36 1.33 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.18 4.54 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 172 D 8.31 5.13 0.00 2.36 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 0.00 173 K 9.85 3.85 0.00 1.98 1.98 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.32 1.53 7.81 174 W 7.96 3.39 0.00 3.40 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 0.00 175 V 6.71 2.86 1.70 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 0.54 0.00 0.00 -0.58 0.00 0.00 176 I 7.39 3.61 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.99 0.00 0.00 177 A 7.36 4.33 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 4.32 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 0.00 179 D 8.68 4.85 0.00 2.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.98 4.61 0.00 1.86 1.78 0.98 0.95 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 0.00 181 A 8.10 4.83 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 0.00 182 G 7.99 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 0.00 0.00 0.00 183 S 8.12 4.70 0.00 3.91 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 *187 T 7.68 3.95 3.47 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 1.00 0.00 0.00 188 N 8.08 5.41 0.00 2.98 2.90 0.00 0.00 6.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.91 3.50 1.59 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.55 0.00 0.00 190 G 8.21 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 0.00 191 S 8.55 5.39 0.00 4.39 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 0.00 192 I 8.70 3.93 1.72 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.45 0.83 0.00 0.00 193 H 8.67 5.74 0.00 3.16 3.28 0.00 5.69 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 0.00 194 A 7.62 4.97 0.97 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 0.00 0.00 195 H 8.75 4.86 0.00 3.46 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 8.94 4.28 0.00 3.13 3.11 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 0.00 0.00 0.00 0.00 197 K 8.13 3.85 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.50 7.81 198 D 7.85 4.24 0.00 2.53 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 0.00 199 F 7.68 3.54 0.00 2.35 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 0.00 200 V 6.51 3.29 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 0.84 0.00 0.00 0.49 0.00 0.00 201 E 7.61 4.06 0.00 1.98 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 2.27 2.24 0.00 202 G 7.19 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 0.00 203 K 7.60 4.14 0.00 1.57 1.69 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.27 7.81 204 G 7.27 4.17 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 0.00 0.00 0.00 205 I 8.06 4.16 1.40 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.36 0.00 0.00 206 F 7.70 4.62 0.00 3.47 3.28 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 0.00 207 D 10.61 4.79 0.00 2.94 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 0.00 208 S 7.46 3.99 0.00 3.70 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 0.00 209 E 6.66 3.38 0.00 1.16 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 2.36 2.39 0.00 210 D 7.73 4.38 0.00 2.70 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 0.00 211 E 8.38 4.01 0.00 2.12 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 2.52 2.34 0.00 212 F 8.14 2.69 0.00 2.74 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 0.00 213 L 8.50 3.54 0.00 1.92 1.70 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.57 4.41 0.00 2.77 2.82 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 0.00 215 Y 7.86 3.60 0.00 2.39 2.55 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 0.00 216 W 7.87 4.31 0.00 2.92 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 0.00 217 R 8.02 4.26 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 218 N 7.82 5.00 0.00 2.79 2.82 0.00 0.00 6.94 6.76 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 0.00 219 Y 7.45 3.68 0.00 2.31 2.48 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 0.00 220 E 7.13 3.85 0.00 1.50 1.66 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 1.85 1.88 0.00 *230 Y 7.39 4.51 0.00 3.07 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 0.00 231 N 8.51 4.84 0.00 2.58 2.88 0.00 0.00 7.01 7.79 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 0.00 232 N 7.93 5.29 0.00 3.24 2.94 0.00 0.00 6.34 7.67 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 0.00 233 I 7.71 3.61 1.30 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.75 0.00 0.00 234 S 8.15 4.15 0.00 4.13 4.12 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 0.00 0.00 0.00 235 E 9.09 4.15 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 236 Y 7.76 3.91 0.00 2.63 3.16 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 0.00 237 R 7.87 4.03 0.00 2.06 2.04 0.00 3.78 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 238 N 8.10 4.50 0.00 2.89 2.93 0.00 0.00 6.67 6.99 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 0.00 239 W 7.57 4.41 0.00 3.41 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 0.00 240 I 7.58 3.73 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.66 0.76 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.