NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1388 8.1731 122.4840 54.8580 44.0707 176.8968 4 G 3.6418 7.8295 107.4065 45.4427 0.0000 170.7048 5 H 5.3643 9.7331 127.9295 55.3336 32.0154 172.1789 6 I 4.9568 8.9558 126.4081 59.5527 40.8280 174.3481 7 I 4.8029 8.7340 127.0471 59.5700 39.5324 174.7813 8 V 4.8576 8.4325 126.6966 61.3397 33.5513 175.2659 9 T 4.2399 8.9269 118.9380 60.1351 71.1306 174.1896 10 G 3.8948 8.4517 107.0916 46.6471 0.0000 175.4021 11 A 4.0718 8.0605 121.8797 53.9197 18.9078 179.5539 12 G 3.7495 7.8909 103.3909 46.6893 0.0000 174.9421 13 S 4.4273 7.7953 115.7773 57.7514 65.1170 175.2068 14 G 3.6380 8.5865 109.7848 47.9964 0.0000 175.6717 15 L 4.0178 7.8658 122.1982 57.9756 42.2795 179.1134 16 G 3.5913 8.5022 106.0203 47.7138 0.0000 175.5913 17 R 3.8774 8.6635 120.4262 59.1882 30.1911 178.9213 18 A 3.9778 8.0069 120.2105 55.2473 18.3793 179.6777 19 L 3.9585 8.1218 117.5379 58.1096 41.6557 179.9253 20 T 3.8222 8.0517 115.6666 66.7113 68.4147 176.5850 21 I 3.7842 8.0777 122.1630 64.5401 37.2218 178.7646 22 G 3.5891 8.1885 106.2906 47.8535 0.0000 175.8436 23 L 4.1298 8.0068 121.5418 57.2244 41.4762 179.8472 24 V 3.8812 7.7444 119.7368 65.7028 31.3439 177.9775 25 E 4.0054 8.1544 116.8844 59.1266 29.2553 178.5596 26 R 4.4671 7.6173 115.9836 55.8903 30.2115 177.1596 27 G 3.8794 8.2106 106.8807 45.7824 0.0000 173.5049 28 H 4.9568 8.4256 117.0262 54.6588 31.2917 174.2514 29 Q 5.0120 8.9365 119.7402 54.9752 31.1324 175.1514 30 V 4.9839 9.0185 122.1475 61.5309 34.8393 175.5560 31 S 4.4813 9.3983 124.9372 57.3806 65.2098 173.4791 *34 G 3.9517 8.3197 108.5051 45.6300 0.0000 174.2292 35 R 4.0674 8.4746 118.6313 57.6841 30.5392 177.5206 36 R 4.4934 7.6249 117.2465 54.2018 31.2421 175.8104 37 Y 4.1488 8.5452 124.2215 60.1248 38.0387 178.2153 38 Q 3.4589 6.7950 119.1809 58.7094 28.6242 178.9410 39 R 3.9104 7.6448 118.4762 58.9244 30.1910 178.8865 40 L 3.9518 7.5547 119.0986 57.8580 41.5325 179.5724 41 Q 4.0117 8.2808 118.3861 58.8914 28.7871 178.7176 42 Q 3.9835 7.9891 118.6762 59.4331 28.4972 178.7742 43 Q 4.0132 7.8882 119.9890 58.5840 28.7591 178.2999 44 E 3.9304 8.1811 119.7915 59.2642 29.2560 179.0969 45 L 4.0181 8.0485 119.8872 57.9716 42.1822 178.5293 46 L 4.1247 7.6320 119.1312 57.2672 42.0127 177.8743 47 L 4.6263 8.1623 116.6009 52.7995 43.3399 177.7020 48 G 3.9311 8.9540 108.9491 46.8850 0.0000 175.8416 49 N 4.7423 8.9738 121.8209 53.4994 37.5812 175.6293 50 A 4.8816 7.7869 121.6658 53.9169 18.8548 177.2474 51 V 5.5636 7.7738 107.6972 58.9415 36.1227 174.7390 52 I 4.3836 7.2475 114.4017 58.9324 40.5275 174.9635 53 G 3.8200 8.6200 111.7639 45.3615 0.0000 172.9108 54 I 4.3981 8.0438 127.4981 59.3671 38.6307 175.7219 55 V 4.1920 8.3634 127.7264 62.5794 32.2004 175.0273 56 A 4.5710 8.5658 127.6687 51.0818 23.0010 175.3632 57 D 4.6421 8.6196 121.1003 52.7168 41.6614 176.3692 58 L 4.2706 8.5218 125.3521 55.4270 41.3547 177.9643 59 A 4.5248 7.8397 119.9653 52.1737 19.3932 177.6077 60 H 4.8334 7.7583 114.6946 53.9400 33.0670 173.4695 61 H 4.1447 9.0802 125.2264 59.4430 29.6443 177.0930 62 E 4.0429 8.1438 118.6890 59.7442 29.7741 178.6405 63 D 4.4043 8.1665 119.7943 56.8689 40.8199 178.9995 64 V 3.7584 7.9490 118.7853 65.9901 31.6976 177.6537 65 D 4.3783 7.8790 118.2382 57.5222 40.8144 179.2146 66 V 3.5941 7.9526 118.1880 66.0196 31.7026 177.9390 67 A 4.0077 7.9573 120.1953 55.2716 18.1231 179.6520 68 F 3.9885 8.5604 116.1143 60.2925 38.9912 177.8929 69 A 4.0486 8.1442 120.0963 55.0733 18.1677 179.5866 70 A 4.2618 8.2893 120.0171 54.5347 18.4133 179.6010 71 A 4.0164 7.8511 118.8439 55.5436 18.4512 179.9402 72 V 4.0173 8.1134 118.0962 65.5569 31.0215 177.5733 73 E 3.9331 8.3683 119.0185 59.1737 29.2034 178.4940 74 W 4.5074 8.2885 126.6923 58.5752 31.1265 176.7805 75 G 3.3146 8.2950 104.5991 43.8934 0.0000 173.7998 76 G 3.8874 8.3937 110.8354 43.9602 0.0000 173.1026 77 L 4.1841 8.3052 118.4615 54.2417 42.0455 175.6090 78 P 4.7875 0.0000 0.0000 62.4406 32.6384 176.0063 79 E 4.2902 8.9628 120.1131 58.4891 31.0285 176.5290 80 L 5.0971 7.7545 120.8196 53.2309 45.9185 175.1676 81 V 4.6929 9.0742 126.8829 61.3099 33.5942 174.1624 82 L 4.8512 9.2436 132.0619 53.8949 43.5647 174.4969 83 H 4.8418 9.7176 129.0577 55.3346 30.9999 173.7720 84 C 4.7983 8.6789 125.4169 57.6314 27.2698 174.5060 85 A 3.6736 8.0093 126.1636 52.9682 19.4376 179.9793 86 G 4.0933 8.1526 103.9335 46.4306 0.0000 173.2593 87 T 4.6061 7.8391 120.3769 60.9338 75.7041 175.2127 88 G 3.7932 8.9410 114.7301 46.0934 0.0000 174.1542 *95 V 4.0342 8.9445 120.9621 62.2959 32.8769 173.7366 96 Y 4.4185 8.3767 115.8926 57.2099 38.9193 174.7402 97 T 4.8940 8.1253 112.7822 59.4666 72.8622 175.3135 98 A 3.9786 8.4085 122.9276 55.6840 17.9787 179.9375 99 E 3.9262 8.1554 116.3840 59.4282 29.0666 179.2458 100 Q 3.8669 7.8922 119.8055 58.9429 28.8550 178.3372 101 I 3.6473 7.4721 120.0750 64.3171 37.3813 177.9605 102 R 4.0875 7.9854 118.0735 59.3358 30.2845 178.6910 103 R 4.0966 7.4017 115.2042 59.4540 29.1333 178.8562 104 V 3.4251 7.0225 116.4625 63.8457 31.8341 176.9841 *106 E 4.2693 8.1482 119.3483 56.5295 31.1676 178.0987 107 S 4.2035 8.1639 112.8888 60.3452 63.1553 175.3163 108 N 4.6928 7.7812 119.5759 55.0363 39.4218 176.8000 109 L 3.9780 7.5946 120.8604 57.6444 42.3885 178.6694 110 V 3.4484 7.5910 117.9683 65.9630 31.4946 177.9897 111 S 4.8210 7.4989 114.7022 61.3537 62.9253 176.5480 112 T 3.5970 7.5708 119.3961 66.3141 68.1819 176.7228 113 I 3.0620 7.5865 121.7599 64.1280 37.0128 178.5983 114 L 3.9618 7.9691 119.9921 57.6510 41.4171 179.7008 115 V 3.4982 7.9904 118.2095 65.7722 31.3663 177.9937 116 A 3.9989 7.8758 120.2065 55.3919 18.3117 179.7106 117 Q 3.9320 8.2518 116.6598 59.0941 28.7635 178.6949 118 Q 3.7791 8.0714 120.6434 59.3610 28.8467 178.5737 119 T 3.8098 7.7739 116.9323 66.2515 68.3894 176.9534 120 V 3.5271 7.9696 120.4706 65.9266 31.3656 177.8241 121 R 3.8496 7.7076 116.8864 59.5829 29.9667 178.1904 122 L 4.2497 7.7917 117.2276 57.0678 41.9273 178.2460 123 I 4.6318 7.9497 109.9379 60.2243 38.4058 177.3512 124 G 3.6056 8.4472 112.6984 48.9331 0.0000 175.2935 125 E 4.2207 8.0595 118.1406 58.3686 30.1676 177.7872 126 R 3.8569 7.8969 118.0032 57.3158 30.3838 176.4871 127 G 3.8439 7.5630 102.8477 44.5640 0.0000 171.2782 128 G 3.7348 6.8909 103.0158 43.7941 0.0000 172.0677 129 V 4.7282 8.5707 119.8850 60.9457 34.8324 175.4525 130 L 5.1141 9.0938 130.3041 53.5914 43.7167 174.4005 131 A 5.2492 9.3879 129.5177 50.1684 21.6190 174.6357 132 N 5.3143 9.0434 120.1721 51.3532 40.5604 173.8988 133 V 4.2848 8.9378 123.8752 61.3832 32.9074 175.4609 134 L 4.7612 7.6819 131.6889 53.2950 39.3711 176.6600 135 S 4.4477 7.8219 115.4245 58.3212 65.0083 175.5685 136 S 4.5271 8.7252 115.5627 55.7006 63.6873 171.8091 137 A 4.4053 8.3809 126.3171 51.7372 18.9080 176.5975 138 A 4.0353 9.1839 125.5017 52.3291 18.4502 177.1005 139 Q 4.3494 8.4877 120.4465 56.1320 30.3939 177.7309 140 V 4.2357 9.5111 116.0451 57.4843 30.3506 174.3970 141 G 3.3149 9.5095 113.2114 43.9949 0.0000 171.1202 142 K 3.7598 7.8732 118.8434 57.6371 28.9474 175.8573 143 A 4.1727 8.0631 123.9042 55.3630 19.1580 179.6950 144 N 5.6061 7.9339 111.2526 52.6951 39.5920 177.1716 145 E 4.2521 8.6420 121.6949 59.6732 29.6986 178.3243 146 S 4.2746 8.2639 113.6982 61.2085 63.0327 176.0264 147 L 3.9694 7.8569 122.8252 58.0600 41.7471 178.4447 148 Y 4.0479 8.1208 116.4153 61.0765 37.7991 178.0672 149 C 4.3444 8.5519 117.4510 62.8499 28.3539 175.5435 150 A 4.1041 8.1855 122.4773 55.5771 17.6694 179.3935 151 S 4.0740 8.1485 110.1127 61.5587 62.5726 176.3158 152 K 4.1194 8.2447 120.3136 59.7359 32.7138 178.7103 153 W 4.5294 8.6254 120.8512 59.3412 29.0137 178.8624 154 G 3.8659 8.1672 103.0373 46.0437 0.0000 174.7747 *156 R 4.3014 8.0122 122.6993 56.0375 32.1651 177.6268 157 G 3.8384 8.8756 104.8704 47.9380 0.0000 175.0498 158 F 4.1779 8.3763 123.7405 61.0202 39.4266 177.3264 159 L 3.7428 7.9724 117.8025 57.8287 41.5988 179.2544 160 E 4.2471 8.4130 118.4384 59.1029 29.1774 179.2876 161 S 4.1190 7.8886 113.1386 60.9526 62.4479 175.9157 162 L 3.7723 7.7813 123.7838 57.8117 41.4619 179.1074 163 R 3.8943 8.5008 116.3749 59.2503 29.1843 178.7713 164 A 4.0799 7.6480 120.1307 54.6692 18.3805 178.9037 165 E 4.0565 7.6692 117.4473 58.6695 29.9272 177.8649 166 L 4.4662 7.6395 117.4811 53.3248 41.9876 176.2991 167 K 3.9526 6.8891 117.4422 58.5278 32.3691 176.9832 168 D 4.5812 8.8189 120.6111 54.5537 38.6848 173.6024 169 S 4.7417 7.6882 115.0317 55.6659 63.7589 172.7746 170 P 4.4559 0.0000 0.0000 64.5194 31.9351 175.0517 171 L 4.6088 7.5718 124.0403 54.5140 42.8593 175.7678 172 R 4.6285 8.9501 125.9326 54.6407 32.4234 175.0963 173 L 5.0544 8.4906 123.4047 53.1673 43.5134 175.8925 174 V 4.6286 8.7122 123.9113 61.1085 34.5634 173.6839 175 N 5.2115 9.0613 125.2902 51.3955 41.2282 173.5330 176 L 4.9738 8.5675 123.8743 53.1373 45.1604 175.4136 177 Y 4.9276 9.1795 121.8563 55.2245 38.9830 170.9530 178 P 4.8839 0.0000 0.0000 62.3858 32.6548 175.8981 179 S 4.5714 9.2437 123.1426 58.7789 64.4309 174.8915 180 G 4.7957 8.7429 117.9991 45.9331 0.0000 173.4235 181 I 4.0927 7.8964 119.2115 59.6710 39.0551 175.0617 182 R 4.3987 8.1024 121.2792 55.8247 30.5121 175.7216 183 S 4.2457 7.9310 110.3038 59.1745 64.6713 176.4007 184 E 3.9698 10.5652 126.2120 56.2795 28.8897 173.8412 185 F 4.8542 6.9150 111.9883 58.3083 45.0574 174.8040 *197 F 4.2483 7.7200 125.6819 57.1607 39.3200 173.8441 *199 T 4.1872 7.5451 114.3814 60.2123 71.3650 172.7934 200 P 4.2346 0.0000 0.0000 65.9207 31.4876 178.6929 201 E 3.9265 8.1471 116.6390 59.6942 29.5953 179.1102 202 D 4.2268 7.9915 117.9625 57.2088 40.6550 178.4383 203 A 4.0992 7.8253 119.8669 55.3218 18.5033 178.8327 204 A 4.0774 8.4245 117.9018 55.5894 18.6932 179.4515 205 A 4.1012 7.8876 118.6219 55.3754 18.3510 179.7735 206 Y 4.0396 7.4206 110.6349 59.4554 37.1740 178.1409 *208 L 4.2860 7.8513 122.5493 55.0065 44.2152 178.9518 209 D 4.4129 8.2874 118.2481 57.4170 40.4819 178.7218 210 A 4.1238 8.1050 120.1352 54.7500 18.4469 178.7148 211 L 4.3403 7.2220 113.6403 54.1121 42.2658 177.1081 212 E 4.0480 7.5548 119.5210 56.0396 29.9600 176.7740 213 A 4.2273 8.4620 126.5579 52.2200 19.1576 176.8546 214 R 4.8055 8.1015 119.7956 54.3022 34.5152 175.9765 215 S 4.2573 8.8751 116.0433 61.6171 62.8740 175.9115 216 S 4.5972 7.7607 111.1479 58.2755 63.6372 172.8622 217 C 4.7412 7.4315 114.0798 58.2280 31.4717 172.0161 218 H 4.9640 8.2755 114.8139 53.6761 31.2911 172.8489 219 V 3.8765 8.2887 120.2696 62.8719 32.1637 175.5816 220 T 4.4651 8.4513 116.5243 63.2058 70.8515 174.3195 221 D 5.3067 7.8780 119.9944 52.6586 45.3241 174.7589 222 L 4.7600 8.9193 124.3357 53.4155 45.3326 174.7871 223 F 5.1494 9.1518 125.0831 55.8790 41.0638 174.9463 224 I 4.4603 9.1664 125.3504 59.3581 39.6576 175.1556 225 G 4.5112 8.4797 112.7180 43.8849 0.0000 172.8077 226 R 4.3149 7.9182 119.6537 56.1961 30.7236 176.9196 227 N 4.5896 8.5772 118.9896 52.6082 39.5272 174.9734 228 E 4.1039 8.4117 121.2614 55.7370 30.5457 177.0569 229 G 3.6512 8.4354 111.5164 45.8914 0.0000 173.4984 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 L 8.17 4.14 0.00 1.56 1.73 0.88 0.71 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 4 G 7.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 9.73 5.36 0.00 3.31 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.96 4.96 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.91 0.00 0.00 7 I 8.73 4.80 1.87 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 0.99 0.64 0.68 0.00 0.00 8 V 8.43 4.86 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 0.76 0.00 0.00 0.91 0.00 0.00 9 T 8.93 4.24 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 10 G 8.45 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 0.00 0.00 0.00 11 A 8.06 4.07 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 12 G 7.89 3.75 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 0.00 0.00 0.00 13 S 7.80 4.43 0.00 4.06 3.97 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 14 G 8.59 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.87 4.02 0.00 1.70 1.64 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.50 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 0.00 0.00 0.00 17 R 8.66 3.88 0.00 2.10 1.97 0.00 3.32 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 18 A 8.01 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.12 3.96 0.00 1.82 1.71 0.89 0.61 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 20 T 8.05 3.82 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 1.20 0.00 0.00 21 I 8.08 3.78 1.99 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 1.45 0.79 0.91 0.00 0.00 22 G 8.19 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 0.00 0.00 0.00 23 L 8.01 4.13 0.00 1.88 1.74 0.91 0.77 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 24 V 7.74 3.88 2.26 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 1.30 0.00 0.00 1.05 0.00 0.00 25 E 8.15 4.01 0.00 2.15 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 2.35 2.53 0.00 26 R 7.62 4.47 0.00 1.89 1.98 0.00 3.31 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 27 G 8.21 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 28 H 8.43 4.96 0.00 3.25 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.94 5.01 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 30 V 9.02 4.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 31 S 9.40 4.48 0.00 3.82 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 *34 G 8.32 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 0.00 0.00 0.00 35 R 8.47 4.07 0.00 1.81 2.01 0.00 3.46 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 36 R 7.62 4.49 0.00 1.77 1.78 0.00 3.08 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 37 Y 8.55 4.15 0.00 3.15 3.20 0.00 0.00 0.00 0.00 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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 1.23 0.00 0.00 120 V 7.97 3.53 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 1.06 0.00 0.00 0.98 0.00 0.00 121 R 7.71 3.85 0.00 1.82 2.13 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 122 L 7.79 4.25 0.00 1.75 1.74 1.05 0.74 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 0.00 123 I 7.95 4.63 2.08 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 1.32 0.88 1.00 0.00 0.00 124 G 8.45 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 0.00 0.00 0.00 125 E 8.06 4.22 0.00 1.97 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 2.28 2.28 0.00 126 R 7.90 3.86 0.00 1.78 1.96 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 127 G 7.56 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 0.00 128 G 6.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.57 4.73 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 0.95 0.00 0.00 0.92 0.00 0.00 130 L 9.09 5.11 0.00 1.78 1.53 0.96 0.85 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 0.00 131 A 9.39 5.25 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 0.00 132 N 9.04 5.31 0.00 2.56 2.63 0.00 0.00 6.17 8.53 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 0.00 133 V 8.94 4.28 1.98 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 0.86 0.00 0.00 0.86 0.00 0.00 134 L 7.68 4.76 0.00 0.91 1.40 0.49 0.68 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 0.00 135 S 7.82 4.45 0.00 3.85 3.81 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 0.00 136 S 8.73 4.53 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 0.00 137 A 8.38 4.41 1.06 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 0.00 0.00 138 A 9.18 4.04 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 0.00 139 Q 8.49 4.35 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.28 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 140 V 9.51 4.24 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 0.85 0.00 0.00 1.15 0.00 0.00 141 G 9.51 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 0.00 0.00 0.00 142 K 7.87 3.76 0.00 1.95 2.06 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.51 7.81 143 A 8.06 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.93 5.61 0.00 3.06 3.05 0.00 0.00 7.24 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 0.00 145 E 8.64 4.25 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 146 S 8.26 4.27 0.00 4.08 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 0.00 147 L 7.86 3.97 0.00 1.86 1.95 0.89 1.02 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 0.00 148 Y 8.12 4.05 0.00 3.29 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 0.00 149 C 8.55 4.34 0.00 3.30 3.29 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 0.00 150 A 8.19 4.10 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 0.00 151 S 8.15 4.07 0.00 3.94 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 0.00 152 K 8.24 4.12 0.00 1.83 1.93 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.20 7.81 153 W 8.63 4.53 0.00 3.64 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 0.00 154 G 8.17 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 *156 R 8.01 4.30 0.00 1.91 2.20 0.00 2.97 0.00 0.00 2.92 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 157 G 8.88 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 0.00 158 F 8.38 4.18 0.00 3.18 3.13 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 0.00 159 L 7.97 3.74 0.00 1.76 1.69 1.01 1.10 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 0.00 160 E 8.41 4.25 0.00 2.15 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 2.40 2.50 0.00 161 S 7.89 4.12 0.00 3.90 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 0.00 162 L 7.78 3.77 0.00 1.10 1.41 0.79 1.01 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 0.00 163 R 8.50 3.89 0.00 2.01 2.14 0.00 2.85 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 164 A 7.65 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.67 4.06 0.00 1.99 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 2.29 2.32 0.00 166 L 7.64 4.47 0.00 1.71 1.63 0.89 0.45 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 0.00 167 K 6.89 3.95 0.00 1.93 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 168 D 8.82 4.58 0.00 2.84 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 0.00 169 S 7.69 4.74 0.00 3.85 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 0.00 170 P 0.00 4.46 0.00 2.15 2.28 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 171 L 7.57 4.61 0.00 1.60 1.60 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.95 4.63 0.00 1.84 1.77 0.00 3.03 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 173 L 8.49 5.05 0.00 1.49 1.59 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 174 V 8.71 4.63 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 1.15 0.00 0.00 1.02 0.00 0.00 175 N 9.06 5.21 0.00 2.91 2.46 0.00 0.00 6.38 6.32 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 0.00 176 L 8.57 4.97 0.00 1.35 1.43 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 9.18 4.93 0.00 2.37 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 0.00 178 P 0.00 4.88 0.00 2.20 2.23 0.00 3.34 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 179 S 9.24 4.57 0.00 3.94 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 0.00 180 G 8.74 4.80 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 0.00 0.00 0.00 181 I 7.90 4.09 1.87 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 1.45 1.20 0.88 0.00 0.00 182 R 8.10 4.40 0.00 1.85 1.84 0.00 3.10 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 183 S 7.93 4.25 0.00 3.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.57 3.97 0.00 1.93 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 2.13 2.36 0.00 185 F 6.91 4.85 0.00 3.06 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 *197 F 7.72 4.25 0.00 3.13 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 *199 T 7.55 4.19 4.42 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 1.29 0.00 0.00 200 P 0.00 4.23 0.00 2.17 2.19 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 201 E 8.15 3.93 0.00 2.05 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 2.40 2.46 0.00 202 D 7.99 4.23 0.00 2.76 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 0.00 203 A 7.83 4.10 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 0.00 204 A 8.42 4.08 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 0.00 205 A 7.89 4.10 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 0.00 206 Y 7.42 4.04 0.00 3.27 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 *208 L 7.85 4.29 0.00 1.74 1.77 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 209 D 8.29 4.41 0.00 3.05 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 0.00 210 A 8.11 4.12 1.37 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 0.00 211 L 7.22 4.34 0.00 1.69 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 212 E 7.55 4.05 0.00 2.12 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 2.59 2.43 0.00 213 A 8.46 4.23 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 0.00 214 R 8.10 4.81 0.00 1.94 1.80 0.00 3.24 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 215 S 8.88 4.26 0.00 3.87 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 0.00 216 S 7.76 4.60 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 0.00 217 C 7.43 4.74 0.00 3.05 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 0.00 218 H 8.28 4.96 0.00 3.25 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 V 8.29 3.88 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 0.89 0.00 0.00 0.96 0.00 0.00 220 T 8.45 4.47 4.27 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 1.13 0.00 0.00 221 D 7.88 5.31 0.00 2.72 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 0.00 222 L 8.92 4.76 0.00 1.74 1.45 0.93 0.68 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 0.00 223 F 9.15 5.15 0.00 2.84 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 0.00 224 I 9.17 4.46 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.90 0.00 0.00 225 G 8.48 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 0.00 226 R 7.92 4.31 0.00 1.59 1.92 0.00 3.33 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 227 N 8.58 4.59 0.00 2.66 2.70 0.00 0.00 6.92 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 0.00 228 E 8.41 4.10 0.00 1.90 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 2.27 2.23 0.00 229 G 8.44 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.