NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3115 7.8827 121.4467 61.1589 38.8382 173.8134 17 V 4.3111 8.5462 125.1757 61.5436 33.2784 174.1296 18 G 3.8818 8.9445 114.7422 46.7527 0.0000 173.1040 19 G 4.1869 7.8633 110.6905 43.8057 0.0000 172.2582 20 Y 4.9471 7.5708 116.7459 55.3391 42.3638 174.4835 21 T 4.4517 8.5951 116.4547 63.5818 68.4895 175.5628 22 C 4.3856 8.5730 125.0137 61.3786 39.9304 174.1673 23 G 4.2073 8.5194 104.2297 43.1405 0.0000 172.9380 24 A 4.3182 8.5260 124.2996 53.3090 18.7373 177.5235 25 N 4.1962 8.6994 121.3417 54.6109 36.1925 175.1583 26 T 4.2654 7.4659 105.9489 62.1451 70.4874 175.0192 27 V 4.0792 7.0054 121.8523 60.3345 31.2834 173.9244 28 P 4.4918 0.0000 0.0000 64.2337 31.8883 178.0222 29 Y 5.2195 6.7492 115.6044 56.5289 38.7903 174.7206 30 Q 4.6359 7.4951 123.3825 56.2642 29.9491 175.1468 31 V 4.8623 9.0617 125.2102 61.1548 35.9105 173.7234 32 S 5.1493 8.5624 118.0776 56.4201 65.3140 172.4865 33 L 4.6620 8.7200 127.3954 53.2765 43.4765 175.0149 34 N 5.8070 9.0670 122.3034 49.9542 42.1001 174.9449 *37 S 4.4369 8.4443 120.8699 58.5268 64.1324 174.3718 38 G 3.9795 9.0062 108.0869 45.8826 0.0000 173.0424 39 Y 4.4381 6.4723 115.6107 56.3256 39.7537 172.4138 40 H 4.5993 8.8799 121.7103 56.3028 30.4484 174.8949 41 F 5.0239 7.9268 119.1085 57.0642 39.9874 173.4755 42 C 4.6969 6.8355 114.9890 56.1350 45.0344 172.5491 43 G 4.4040 8.3515 108.1360 45.0876 0.0000 171.9731 44 G 4.3320 8.1582 105.1962 46.4259 0.0000 172.5393 45 S 5.4608 8.5553 115.3186 56.4321 66.6738 173.6647 46 L 4.7648 9.1570 127.3481 54.7434 42.5415 177.1504 47 I 4.2760 8.5172 119.5774 60.9664 38.5276 174.6196 48 N 4.4571 7.7349 117.3631 52.0641 39.1901 175.1307 49 S 4.1845 8.4584 112.9783 60.8925 62.8480 175.7643 50 Q 4.4404 8.1739 117.3567 55.1588 30.4237 174.6287 51 W 5.4967 7.9710 117.2326 54.7143 33.3788 174.5272 52 V 5.0780 9.1236 122.5732 61.1129 34.8233 174.4120 53 V 4.9254 8.6034 125.8460 60.5812 34.1248 174.9701 54 S 4.8906 9.2057 116.4799 57.9092 66.0035 172.0796 55 A 4.9354 8.7780 119.8522 49.8880 20.5917 178.4959 56 A 3.9145 8.2430 123.9575 55.0208 18.5434 178.9904 57 H 4.5997 8.2349 109.3828 56.9250 28.7118 175.1930 58 C 4.8269 7.7101 117.0046 56.8591 40.4949 173.3025 59 Y 4.2573 7.6751 121.9673 57.9751 38.7359 175.2284 60 K 3.7945 7.0241 123.6292 55.8642 36.0863 174.6078 61 S 4.5263 7.9237 115.9176 57.9724 65.1321 173.9083 62 G 3.6601 8.3987 107.8788 46.7951 0.0000 173.6401 63 I 4.3876 7.4536 119.2489 59.6401 39.5809 175.3499 64 Q 4.7722 8.7632 127.5875 54.2251 31.8876 174.1524 65 V 4.4910 9.0256 126.6474 61.7379 33.8994 174.6785 66 R 5.2497 8.7955 126.3007 54.7091 32.7984 174.7131 67 L 4.7098 9.1167 124.8995 52.7320 44.6145 177.3919 *69 G 4.5320 8.2534 106.8879 46.3366 0.0000 172.7139 70 E 4.7052 8.2866 119.2018 55.3645 30.5865 174.7379 71 D 4.8533 7.8687 117.8198 54.6050 45.4662 173.8711 72 N 5.2124 8.9804 120.1224 52.4442 39.2492 176.0377 73 I 4.0982 8.4339 119.0273 61.3412 37.8555 176.1715 74 N 4.7368 8.6661 118.1863 53.1170 39.3818 174.7697 75 V 4.2609 7.3845 118.3003 60.6419 33.8630 175.3526 76 V 4.0500 8.4100 127.0398 62.8495 30.2064 175.1666 77 E 4.2473 9.1956 127.0181 56.0504 29.8805 177.4303 78 G 4.0728 8.0154 107.1560 45.4534 0.0000 174.4412 79 N 4.8877 8.2431 115.5276 53.1182 39.8221 174.5659 80 E 5.4761 7.8401 117.9324 55.1545 31.3466 175.8058 81 Q 4.3441 8.3692 119.5984 54.2252 33.0439 173.9401 82 F 5.6074 8.8051 122.4586 55.9710 41.2108 174.9301 83 I 4.7246 9.0785 124.6896 59.4897 41.2014 175.6378 84 S 4.7298 8.6544 121.3177 58.1301 64.5317 172.9246 85 A 4.7799 8.1260 123.9236 51.5874 18.9321 177.6880 86 S 4.5851 8.8427 116.8125 59.7970 64.6501 174.5739 87 K 4.7366 7.5316 117.1527 55.6321 35.7822 175.1006 88 S 5.2767 8.6999 116.6961 56.9605 66.7370 173.5802 89 I 4.5941 9.1446 124.8410 59.5699 39.8009 175.0666 90 V 4.3306 8.4647 127.3186 61.8889 32.8755 175.3206 91 H 3.4987 8.6077 126.3659 55.4476 30.0987 174.5666 92 P 4.2421 0.0000 0.0000 65.3478 31.0303 177.0680 93 S 4.6950 7.5381 112.9213 58.0102 63.2267 173.1403 94 Y 4.2972 7.9695 123.0899 57.6413 38.9393 174.2612 95 N 4.5945 8.2059 126.2361 51.5191 39.6139 175.1297 96 S 3.7910 7.7739 119.9894 59.2956 63.8110 175.2326 97 N 4.3750 8.0562 119.1504 55.8023 38.5737 176.3179 98 T 3.9167 7.7154 105.0524 61.0924 69.7485 175.0588 99 L 3.7370 7.7979 121.0261 55.4085 39.6531 173.8715 100 N 4.4566 7.5963 117.7297 54.6263 39.7816 174.3922 101 N 4.7103 8.6842 119.7834 54.2134 35.8235 175.8847 102 D 4.6691 7.6144 119.4294 52.7119 40.5761 173.9747 103 I 4.9255 6.8466 121.2227 59.5718 42.4959 173.4194 104 M 5.4704 9.2353 126.3774 54.1869 36.3834 173.3014 105 L 5.4444 8.9915 123.0480 53.0860 45.2920 175.5352 106 I 5.0711 9.2318 123.3078 59.4449 40.8435 174.3453 107 K 3.9458 8.8042 127.6823 54.3586 34.3721 175.2886 108 L 4.7114 7.9892 126.2212 53.8074 42.5428 177.2396 109 K 4.1532 8.8632 121.4075 58.8429 32.5247 177.8165 110 S 4.6356 7.7301 113.0313 56.1877 66.8147 173.1806 111 A 4.4549 8.3260 123.9415 51.6319 18.9922 177.5012 112 A 4.2517 9.0491 123.6024 52.0366 19.6957 177.0538 113 S 4.6847 8.7430 115.7947 57.0457 64.1258 174.4120 114 L 4.7204 8.5098 125.1516 53.7349 43.3441 176.1956 115 N 4.8032 8.8077 118.7600 52.5127 39.3590 175.0847 116 S 4.0795 8.8085 112.3178 61.8944 62.8687 175.4494 117 R 4.1809 8.7305 119.0043 56.7532 30.6337 175.9558 118 V 4.6507 7.7176 116.9984 60.8735 33.2979 173.7906 119 A 5.1760 8.6960 128.4274 50.3658 22.9935 174.9572 120 S 5.0744 8.6952 113.8916 57.4347 65.1938 173.0560 121 I 4.5102 8.2014 120.5961 59.2879 40.2001 175.2439 122 S 4.5326 8.3385 122.5567 57.7358 63.9695 173.8182 123 L 4.4636 8.0719 123.3304 53.0168 42.7575 175.1177 124 P 4.5452 0.0000 0.0000 62.8540 32.5864 176.1763 125 T 4.0581 8.2651 109.1988 63.1197 69.8247 174.7607 *127 S 4.9339 7.5137 113.9197 58.0969 64.0287 173.4086 128 C 4.5030 8.3574 117.4231 56.1465 41.0513 173.1805 129 A 4.6466 7.8257 123.6219 50.7931 20.6663 177.3958 130 S 4.2099 8.0459 115.5719 57.8342 64.0714 173.6487 *132 A 4.1935 8.1733 124.3140 53.3506 19.3701 175.5392 133 G 4.1456 8.9273 108.7467 45.9086 0.0000 175.0664 134 T 3.9666 7.6176 116.4020 63.7962 69.3576 174.0455 135 Q 4.7453 8.6082 125.0508 55.6670 30.2613 175.5622 136 C 5.2770 9.2548 119.5172 55.1676 44.5721 172.2600 137 L 5.3205 9.0757 121.5970 53.5300 44.7353 175.1573 138 I 5.3783 9.0983 126.0910 58.6746 41.0356 174.5463 139 S 4.9114 8.2492 118.4982 56.7902 66.0721 173.0636 140 G 3.8402 7.6066 108.7028 46.1024 0.0000 172.7904 141 W 4.6872 8.7299 117.4385 56.3240 29.5256 177.2511 142 G 4.1535 8.1793 108.0598 44.0090 0.0000 173.6636 143 N 3.5878 8.1376 117.9719 54.2393 38.9906 174.4100 144 T 5.1537 7.9932 111.6052 60.1835 69.5315 173.7189 145 K 4.6002 7.8197 121.5025 54.6600 34.7781 176.2579 146 S 4.2266 8.9106 118.6960 60.8875 63.2669 174.7546 147 S 4.5005 9.1447 118.8449 55.6594 62.3359 173.7525 148 G 4.1346 7.1922 111.4625 43.9669 0.0000 169.6103 149 T 4.6587 7.8217 116.0823 61.8414 71.8246 174.3802 150 S 4.4749 9.3301 122.3096 57.3341 65.7593 172.0163 151 Y 5.0220 8.7252 125.5094 55.5470 39.5372 174.3153 152 P 4.6843 0.0000 0.0000 62.5604 32.7935 175.6589 153 D 4.7899 8.6684 117.9404 54.9442 41.9501 176.6924 154 V 5.8366 7.4599 110.7097 58.2524 34.8668 175.4680 155 L 3.2415 8.2612 123.6381 54.9711 43.2486 175.8205 156 K 4.8399 7.9749 124.5603 54.7660 35.2467 174.6685 157 C 5.2073 8.3265 121.3375 55.3440 43.0344 172.5932 158 L 4.7539 8.1096 120.2000 54.0918 45.7144 173.7726 159 K 5.6422 9.1653 124.7067 54.0304 34.1587 175.3920 160 A 5.2256 8.6547 125.2107 49.1482 23.0942 173.2813 161 P 5.0894 0.0000 0.0000 61.8110 33.9671 175.0701 162 I 4.3768 8.3583 122.0638 61.3595 38.1604 175.6917 163 L 4.9425 8.4699 126.5645 52.9561 43.2940 176.8538 164 S 4.3540 8.4211 114.9716 58.3260 63.8127 175.2270 165 D 4.4720 8.6237 121.4989 57.0614 40.6454 179.1966 166 S 4.1490 8.0464 115.1519 61.5680 62.9537 176.5721 167 S 4.2330 7.8686 117.5618 60.4482 62.8260 175.6851 168 C 4.2847 7.8133 122.1619 59.8185 41.7762 175.6768 169 K 3.9728 8.5182 120.4322 59.5781 31.3516 179.6225 170 S 4.2688 7.8943 114.3702 61.3186 62.7854 176.1766 171 A 4.0039 7.6614 122.9043 53.7732 19.6672 177.3519 172 Y 4.8791 7.7064 113.7405 55.3502 38.2558 173.3114 173 P 4.5569 0.0000 0.0000 63.3753 32.3922 176.9232 174 G 4.0467 8.9502 109.1070 46.4623 0.0000 173.8677 175 Q 4.5877 8.1997 116.9395 55.2727 30.6397 175.6985 176 I 4.4702 7.8115 119.0881 59.9154 38.3653 174.8550 177 T 4.7217 8.1403 114.1462 59.4637 71.3630 174.5267 178 S 4.3813 8.5853 114.2348 59.9965 63.2871 174.1983 179 N 4.9847 8.1300 118.5878 53.3634 38.5402 173.8254 180 M 5.9447 7.9887 116.3154 53.2987 36.5193 174.3100 181 F 5.0600 8.2735 114.0965 56.0773 41.8362 173.5982 182 C 5.4931 9.0110 116.4969 55.6393 42.6675 172.6561 183 A 5.0397 9.1844 121.8547 50.3649 22.3984 176.5891 184A G 3.9931 6.7162 107.5305 45.2670 0.0000 172.2527 184 Y 4.6139 8.0477 120.0519 56.0305 40.9213 176.3366 185 L 4.1418 8.6396 125.7642 57.2638 42.0170 179.0208 186 E 4.0711 8.1953 115.4390 57.3253 29.8460 177.2762 187 G 3.8340 7.5861 106.5126 44.8249 0.0000 171.3734 188A G 4.2554 9.1589 107.1402 44.8368 0.0000 174.3461 188 K 5.3528 7.1678 117.2007 53.5178 35.0488 175.2350 189 D 4.6543 8.4254 122.4227 53.8805 44.8727 174.5168 190 S 4.8753 8.6210 117.0904 57.9047 65.4846 172.8212 191 C 4.7532 9.2364 118.8361 55.2929 45.2556 172.4846 192 Q 4.2999 8.5792 119.4075 57.8135 28.1300 176.8305 193 G 4.3559 9.0157 111.2535 46.5305 0.0000 174.8845 194 D 4.5915 9.0729 119.4832 56.7008 41.3891 176.3919 195 S 4.1830 7.7004 114.2009 58.7048 63.0731 175.3468 196 G 4.1593 9.1684 114.2610 46.4641 0.0000 173.6311 197 G 4.0118 7.9843 107.4120 45.5763 0.0000 171.1893 198 P 5.0047 0.0000 0.0000 62.2935 33.6560 175.7903 199 V 4.6170 8.2586 120.0353 61.5298 34.2683 173.4373 200 V 4.7637 8.8961 128.8310 61.2241 33.8845 173.7319 201 C 5.1019 8.4937 124.4592 55.7175 43.9188 174.5063 202 S 3.8619 10.0717 119.4246 59.4591 60.0885 173.5220 203 G 3.9787 8.7331 108.0664 44.9877 0.0000 174.1669 204 K 4.8686 7.4452 117.6825 53.3087 35.1439 175.0074 *209 L 4.2239 8.2251 121.9833 55.3474 42.6764 176.0930 210 Q 4.6261 9.0250 124.6800 56.3034 31.7309 175.5417 211 G 5.3052 8.1369 103.5089 45.7153 0.0000 171.8637 212 I 5.0084 8.2974 119.4761 58.9023 41.2280 175.3750 213 V 3.5682 8.9250 126.8887 63.8452 31.7153 174.1992 214 S 5.0740 8.6159 121.8876 58.4636 64.3362 174.6928 215 W 5.1174 7.8574 114.2335 55.9273 32.5695 172.5255 216 G 3.9111 8.2890 105.0942 46.3817 0.0000 172.2968 217 S 4.7820 8.6096 114.5837 56.4492 63.9768 172.7056 *219 G 4.0967 8.1556 117.5671 45.7283 0.0000 171.5347 220 C 5.0177 8.1454 115.9683 56.4725 43.0541 173.5960 221A A 4.2925 8.9078 124.3370 53.1379 16.8893 177.0657 221 Q 4.5863 7.3744 116.5837 56.1322 29.8684 175.8916 222 K 4.3350 8.4364 122.0428 57.9383 32.7024 176.2793 223 N 4.2387 9.3073 121.5695 53.9983 37.1568 175.2312 224 K 4.3585 7.5836 116.3181 53.7065 32.1617 173.4754 225 P 4.5695 0.0000 0.0000 62.3863 33.1096 177.5104 226 G 3.7213 8.4360 106.1588 45.8788 0.0000 172.8252 227 V 4.3707 7.8725 121.7011 60.6693 34.1621 174.1161 228 Y 4.8774 8.1774 124.3269 56.0461 41.9081 175.0425 229 T 4.4327 8.4607 119.0609 63.5427 70.2081 174.6220 230 K 5.1950 9.2226 127.8220 55.1691 30.9670 177.1939 231 V 4.0041 8.7017 125.3077 65.8488 31.4413 174.7149 232 C 4.5342 8.3296 112.4275 57.9438 41.4855 174.5233 233 N 4.4074 7.8877 116.9720 53.8757 38.6614 175.3450 234 Y 4.8530 8.0951 117.9796 57.2677 39.0304 177.2267 235 V 3.6613 7.8969 121.0912 66.4654 31.6414 178.0347 236 S 4.1285 8.1097 114.2303 61.1141 62.5990 176.3789 237 W 4.1563 8.2401 130.7343 60.4669 30.5068 177.7947 238 I 3.0096 8.2187 120.0481 64.3184 36.5414 178.4793 239 K 3.7160 8.1121 119.2483 59.5679 31.7225 179.2653 240 Q 3.8831 8.0566 119.7272 59.2752 28.7427 178.3183 241 T 3.6337 7.4760 116.5074 66.3971 68.4740 176.6043 242 I 2.6628 7.1297 113.7888 63.1137 37.5691 177.7161 243 A 4.1664 7.4274 121.1999 53.7999 18.2443 178.6150 244 S 4.7558 7.2636 112.3354 58.1975 63.5883 174.0202 245 N 4.6780 7.9303 125.0874 53.7573 39.5799 174.2876 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 16 I 7.88 4.31 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 0.90 0.00 0.00 17 V 8.55 4.31 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 1.03 0.00 0.00 0.94 0.00 0.00 18 G 8.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.86 4.19 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 0.00 20 Y 7.57 4.95 0.00 3.00 2.99 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 21 T 8.60 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 1.23 0.00 0.00 22 C 8.57 4.39 0.00 2.79 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 23 G 8.52 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.53 4.32 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.70 4.20 0.00 2.84 2.89 0.00 0.00 7.27 7.57 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 26 T 7.47 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 V 7.01 4.08 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 0.40 0.00 0.00 0.78 0.00 0.00 28 P 0.00 4.49 0.00 2.35 2.40 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 29 Y 6.75 5.22 0.00 3.23 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 30 Q 7.50 4.64 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.56 0.00 0.00 0.00 0.00 0.00 1.98 2.51 0.00 31 V 9.06 4.86 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 0.87 0.00 0.00 1.13 0.00 0.00 32 S 8.56 5.15 0.00 3.13 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.72 4.66 0.00 0.38 0.97 0.78 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.07 5.81 0.00 2.44 2.51 0.00 0.00 6.54 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 *37 S 8.44 4.44 0.00 3.69 3.61 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 38 G 9.01 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 39 Y 6.47 4.44 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.88 4.60 0.00 2.84 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.93 5.02 0.00 3.05 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 42 C 6.84 4.70 0.00 2.17 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.35 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.16 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.56 5.46 0.00 3.83 3.80 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 46 L 9.16 4.76 0.00 1.86 1.66 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.52 4.28 1.89 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 0.94 1.00 0.00 0.00 48 N 7.73 4.46 0.00 2.93 2.97 0.00 0.00 6.24 8.15 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 49 S 8.46 4.18 0.00 4.04 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 50 Q 8.17 4.44 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 51 W 7.97 5.50 0.00 3.19 3.01 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 52 V 9.12 5.08 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 1.11 0.00 0.00 0.99 0.00 0.00 53 V 8.60 4.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 54 S 9.21 4.89 0.00 3.85 3.77 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 55 A 8.78 4.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.24 3.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.23 4.60 0.00 3.39 3.57 0.00 5.54 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 58 C 7.71 4.83 0.00 3.23 3.31 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 59 Y 7.68 4.26 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.02 3.79 0.00 1.29 1.25 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.65 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.96 0.94 7.81 61 S 7.92 4.53 0.00 3.72 3.70 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 62 G 8.40 3.66 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 0.00 0.00 0.00 63 I 7.45 4.39 1.87 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 1.40 1.07 0.95 0.00 0.00 64 Q 8.76 4.77 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 65 V 9.03 4.49 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 0.73 0.00 0.00 0.91 0.00 0.00 66 R 8.80 5.25 0.00 1.59 1.94 0.00 2.67 0.00 0.00 2.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.00 67 L 9.12 4.71 0.00 1.61 1.61 0.95 0.64 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 *69 G 8.25 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 0.00 0.00 0.00 0.00 70 E 8.29 4.71 0.00 2.19 1.91 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 2.46 2.09 0.00 71 D 7.87 4.85 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.98 5.21 0.00 2.85 2.83 0.00 0.00 7.21 7.96 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 73 I 8.43 4.10 1.44 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 -0.36 0.00 0.00 74 N 8.67 4.74 0.00 2.87 2.88 0.00 0.00 6.63 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 75 V 7.38 4.26 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 0.74 0.00 0.00 1.00 0.00 0.00 76 V 8.41 4.05 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 0.77 0.00 0.00 1.03 0.00 0.00 77 E 9.20 4.25 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 78 G 8.02 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 79 N 8.24 4.89 0.00 2.84 2.80 0.00 0.00 7.14 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 80 E 7.84 5.48 0.00 1.26 1.72 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 2.75 2.47 0.00 81 Q 8.37 4.34 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 82 F 8.81 5.61 0.00 2.79 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 83 I 9.08 4.72 1.88 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 1.23 0.93 0.94 0.00 0.00 84 S 8.65 4.73 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.13 4.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.84 4.59 0.00 3.78 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 87 K 7.53 4.74 0.00 1.85 1.89 0.00 1.46 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.52 7.81 88 S 8.70 5.28 0.00 3.96 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 89 I 9.14 4.59 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 1.16 0.00 0.00 90 V 8.46 4.33 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 0.57 0.00 0.00 0.77 0.00 0.00 91 H 8.61 3.50 0.00 2.77 3.06 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.24 0.00 2.11 2.14 0.00 2.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.00 93 S 7.54 4.70 0.00 3.92 3.89 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 94 Y 7.97 4.30 0.00 2.93 2.84 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 95 N 8.21 4.59 0.00 2.60 2.45 0.00 0.00 6.50 7.70 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 96 S 7.77 3.79 0.00 3.98 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 97 N 8.06 4.38 0.00 2.81 2.77 0.00 0.00 6.83 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 98 T 7.72 3.92 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 1.10 0.00 0.00 99 L 7.80 3.74 0.00 1.43 1.91 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.60 4.46 0.00 2.78 2.65 0.00 0.00 7.28 6.49 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 0.00 101 N 8.68 4.71 0.00 3.11 2.69 0.00 0.00 7.25 8.31 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 0.00 102 D 7.61 4.67 0.00 3.19 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 0.00 103 I 6.85 4.93 1.55 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 1.43 1.37 0.16 0.00 0.00 104 M 9.24 5.47 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 105 L 8.99 5.44 0.00 1.70 1.73 0.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.23 5.07 1.93 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 1.19 0.90 0.90 0.00 0.00 107 K 8.80 3.95 0.00 0.79 1.07 0.00 1.15 0.00 0.00 1.33 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.68 0.21 7.81 108 L 7.99 4.71 0.00 1.47 1.55 0.97 0.78 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 0.00 109 K 8.86 4.15 0.00 1.67 1.82 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 110 S 7.73 4.64 0.00 3.77 3.68 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 0.00 111 A 8.33 4.45 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.05 4.25 1.23 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 0.00 113 S 8.74 4.68 0.00 3.77 3.80 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 L 8.51 4.72 0.00 1.65 1.72 0.96 1.05 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 0.00 115 N 8.81 4.80 0.00 2.86 2.90 0.00 0.00 6.92 7.19 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 0.00 116 S 8.81 4.08 0.00 3.89 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 0.00 117 R 8.73 4.18 0.00 1.99 1.97 0.00 3.06 0.00 0.00 3.22 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.51 4.93 0.00 3.99 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 0.00 128 C 8.36 4.50 0.00 2.92 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 0.00 129 A 7.83 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.05 4.21 0.00 3.96 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.17 4.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.93 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 0.00 0.00 0.00 0.00 134 T 7.62 3.97 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 1.16 0.00 0.00 135 Q 8.61 4.75 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 136 C 9.25 5.28 0.00 2.76 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 0.00 137 L 9.08 5.32 0.00 1.74 1.54 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.10 5.38 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.92 1.04 0.00 0.00 139 S 8.25 4.91 0.00 3.54 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.61 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 0.00 141 W 8.73 4.69 0.00 3.16 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 0.00 142 G 8.18 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 0.00 0.00 0.00 0.00 143 N 8.14 3.59 0.00 2.22 2.60 0.00 0.00 7.26 7.75 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 0.00 144 T 7.99 5.15 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 1.27 0.00 0.00 145 K 7.82 4.60 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.27 1.29 7.81 146 S 8.91 4.23 0.00 3.98 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 0.00 147 S 9.14 4.50 0.00 3.85 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 0.00 148 G 7.19 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 0.00 149 T 7.82 4.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 150 S 9.33 4.47 0.00 3.81 3.60 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 0.00 151 Y 8.73 5.02 0.00 2.93 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 0.00 152 P 0.00 4.68 0.00 2.42 2.09 0.00 4.09 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 153 D 8.67 4.79 0.00 2.80 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.46 5.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.97 0.00 0.00 155 L 8.26 3.24 0.00 1.34 1.23 -0.88 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.97 4.84 0.00 1.62 1.48 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 157 C 8.33 5.21 0.00 1.52 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 0.00 0.00 0.00 0.00 158 L 8.11 4.75 0.00 1.71 1.42 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.17 5.64 0.00 1.79 1.80 0.00 1.90 0.00 0.00 2.43 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 160 A 8.65 5.23 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.09 0.00 2.05 2.13 0.00 3.14 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 162 I 8.36 4.38 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.86 0.00 0.00 163 L 8.47 4.94 0.00 1.57 1.59 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.42 4.35 0.00 4.01 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 0.00 165 D 8.62 4.47 0.00 2.74 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 0.00 166 S 8.05 4.15 0.00 4.05 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 0.00 167 S 7.87 4.23 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 7.81 4.28 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.52 3.97 0.00 1.92 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.64 7.81 170 S 7.89 4.27 0.00 3.87 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 0.00 171 A 7.66 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.71 4.88 0.00 3.15 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 0.00 173 P 0.00 4.56 0.00 2.08 2.04 0.00 3.94 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 174 G 8.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.20 4.59 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 176 I 7.81 4.47 1.97 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 1.85 0.93 0.98 0.00 0.00 177 T 8.14 4.72 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 1.26 0.00 0.00 178 S 8.59 4.38 0.00 4.01 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 0.00 179 N 8.13 4.98 0.00 3.04 3.07 0.00 0.00 6.66 9.08 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 0.00 180 M 7.99 5.94 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 181 F 8.27 5.06 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.01 5.49 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.18 5.04 1.11 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 184A G 6.72 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 0.00 184 Y 8.05 4.61 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.64 4.14 0.00 1.73 1.73 0.92 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 0.00 186 E 8.20 4.07 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 187 G 7.59 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A G 9.16 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 0.00 0.00 0.00 0.00 188 K 7.17 5.35 0.00 1.57 1.75 0.00 1.00 0.00 0.00 2.00 0.00 0.00 2.39 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.12 7.81 189 D 8.43 4.65 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 0.00 190 S 8.62 4.88 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.24 4.75 0.00 2.94 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 0.00 192 Q 8.58 4.30 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 5.93 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 193 G 9.02 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 0.00 0.00 0.00 0.00 194 D 9.07 4.59 0.00 3.00 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 0.00 195 S 7.70 4.18 0.00 3.97 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 0.00 196 G 9.17 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.98 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 0.00 198 P 0.00 5.00 0.00 2.28 2.33 0.00 3.87 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 2.22 2.26 0.00 199 V 8.26 4.62 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 0.89 0.00 0.00 0.84 0.00 0.00 200 V 8.90 4.76 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 0.75 0.00 0.00 0.61 0.00 0.00 201 C 8.49 5.10 0.00 2.82 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 0.00 202 S 10.07 3.86 0.00 3.96 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 0.00 203 G 8.73 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 0.00 204 K 7.45 4.87 0.00 1.70 1.63 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.40 7.81 *209 L 8.23 4.22 0.00 1.49 1.60 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.03 4.63 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.32 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 211 G 8.14 5.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.30 5.01 1.94 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 1.30 0.78 1.01 0.00 0.00 213 V 8.93 3.57 2.37 0.00 0.00 0.00 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 1.16 0.00 0.00 214 S 8.62 5.07 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 7.86 5.12 0.00 3.37 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 0.00 216 G 8.29 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 0.00 217 S 8.61 4.78 0.00 4.23 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 *219 G 8.16 4.10 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 0.00 0.00 0.00 220 C 8.15 5.02 0.00 2.94 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 221A A 8.91 4.29 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 7.37 4.59 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.14 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 222 K 8.44 4.34 0.00 1.72 1.72 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 223 N 9.31 4.24 0.00 2.81 2.81 0.00 0.00 6.78 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 0.00 224 K 7.58 4.36 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.33 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 225 P 0.00 4.57 0.00 2.11 2.10 0.00 3.71 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 2.10 1.99 0.00 226 G 8.44 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 0.00 227 V 7.87 4.37 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 0.00 0.00 0.13 0.00 0.00 -0.57 0.00 0.00 228 Y 8.18 4.88 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.46 4.43 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 1.28 0.00 0.00 230 K 9.22 5.20 0.00 2.18 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 231 V 8.70 4.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.15 0.00 0.00 232 C 8.33 4.53 0.00 3.16 3.22 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 0.00 233 N 7.89 4.41 0.00 2.25 2.40 0.00 0.00 6.86 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 0.00 234 Y 8.10 4.85 0.00 3.20 3.24 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 0.00 235 V 7.90 3.66 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 1.11 0.00 0.00 1.09 0.00 0.00 236 S 8.11 4.13 0.00 3.96 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 0.00 237 W 8.24 4.16 0.00 3.48 3.60 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 0.00 238 I 8.22 3.01 1.96 0.00 0.00 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 1.47 1.00 0.72 0.00 0.00 239 K 8.11 3.72 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.53 7.81 240 Q 8.06 3.88 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 241 T 7.48 3.63 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 0.77 0.00 0.00 242 I 7.13 2.66 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.22 -0.31 0.00 0.00 243 A 7.43 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.26 4.76 0.00 3.76 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 0.00 245 N 7.93 4.68 0.00 3.02 2.99 0.00 0.00 7.16 7.57 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 * Residues marked with a * may have inaccurate shift predictions.