NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.6492 8.2876 120.3372 56.9097 31.7978 174.9745 -2 H 3.7021 7.4029 114.6242 59.2733 27.9780 175.1973 -1 H 4.4485 8.2612 120.9899 58.6624 29.1634 179.1842 *0 H 4.3950 8.0772 122.1766 60.5618 28.0311 180.4527 1 M 4.4499 8.0932 122.5855 59.4156 31.1694 180.9486 2 K 4.2105 7.5719 116.9764 57.7626 31.4008 177.9711 1 E 4.3199 8.2332 123.1855 60.6156 28.1694 181.2486 *6 V 4.2385 7.8296 120.6283 63.9514 33.4225 177.1877 7 E 3.9591 8.2559 118.6660 59.5450 29.2687 178.9076 8 E 3.9073 8.1123 118.6290 59.2779 29.7257 178.6891 9 R 4.0907 7.9130 118.2647 59.4095 30.2506 178.2621 10 I 3.6956 8.0145 119.8645 64.6265 36.7114 178.6338 11 R 3.9612 8.2283 118.8830 59.1134 29.5936 179.0287 12 E 3.9877 8.0467 117.5740 59.6355 29.6178 179.1818 13 I 3.9163 7.7975 118.4340 63.7912 37.2111 177.5549 14 L 4.6472 7.6496 116.8262 53.2067 41.7771 176.5102 15 R 3.9324 7.1994 120.3304 55.5807 30.1600 174.7150 16 P 4.5689 0.0000 0.0000 63.0278 31.8312 176.3863 17 G 3.7492 9.6279 108.8858 44.9385 0.0000 173.7879 18 W 4.7396 8.4417 117.6811 55.5709 30.1759 174.5773 19 D 4.4227 8.1554 115.7620 55.3729 39.3245 173.4945 20 L 4.7282 7.9476 116.0698 52.6640 44.5151 176.7417 21 L 4.0417 8.5521 123.0064 58.3098 41.5954 179.9790 22 T 3.7336 7.8383 115.1667 66.5508 68.4381 176.2660 23 E 3.9329 8.0730 119.9299 59.3926 29.5294 178.7543 24 E 3.9017 7.9634 118.5810 59.2209 29.6183 178.7603 25 A 3.2059 7.6767 120.9102 55.0498 18.3234 179.3637 26 M 3.8988 7.8249 117.2129 58.5429 31.9302 178.8194 27 L 3.9339 7.9633 120.2688 58.1273 42.3723 178.0846 28 Y 4.2042 8.3473 119.8781 61.1861 38.5274 178.5256 29 S 4.0388 8.2186 114.2391 61.5137 63.0363 176.3249 30 A 4.1731 7.9546 122.2216 53.8189 16.9268 178.4751 31 T 4.4463 7.3932 106.5067 61.5534 69.6081 176.4978 32 V 3.7954 7.6707 115.3250 65.3482 31.9599 176.6475 33 G 3.8990 7.6374 105.1705 46.8626 0.0000 169.3634 34 G 3.6702 8.8657 107.3074 44.4805 0.0000 173.5276 *36 R 4.2408 8.3878 115.6276 55.8317 31.6817 178.0708 37 I 3.8117 8.1226 119.6733 64.2929 38.0435 176.8222 38 R 3.9782 7.9770 118.5988 58.8376 30.0047 177.1077 39 P 4.2990 0.0000 0.0000 65.7617 31.1689 177.9905 40 L 3.9347 8.0585 120.1124 57.9011 41.8939 178.9485 41 L 3.8777 8.1823 119.0358 57.7311 41.5998 179.5755 42 V 3.5315 7.7150 118.0356 66.1601 31.4849 178.1181 43 L 4.0104 8.1286 118.7661 58.0343 41.4470 179.7358 44 T 3.8978 8.1584 115.9105 66.5422 68.4992 176.8626 45 L 4.1619 7.6447 122.7216 57.2161 41.5695 179.8362 46 G 3.5677 8.1572 105.6385 47.6210 0.0000 175.4844 47 E 3.9313 8.2553 120.8918 59.5647 29.3525 179.0934 48 D 4.4020 7.8857 117.1473 57.1923 40.9409 178.3628 49 L 4.2551 7.6174 117.1953 53.9806 42.3288 176.6461 50 G 3.7052 7.6674 106.1128 46.4484 0.0000 173.9699 51 V 3.8330 7.6530 118.6842 61.0724 32.4833 175.1342 52 E 3.8675 8.7275 126.3604 56.7263 29.8693 176.6608 53 E 4.0288 8.8823 126.7600 59.3099 30.2766 178.4216 54 E 4.2161 8.3169 116.2894 56.7922 29.2187 177.8047 *56 L 4.2076 7.9943 121.1328 54.4938 43.9067 178.5679 57 L 3.9873 8.1807 120.0711 58.0497 41.8997 178.6477 58 D 4.3363 8.0740 118.9298 57.2273 40.7379 178.8458 59 V 3.5863 7.7817 117.9419 65.9680 31.7364 177.6970 60 A 4.0153 8.1343 120.5001 55.2778 18.2466 179.8284 61 V 3.5461 8.1864 116.8626 65.8804 31.5653 177.8558 62 A 3.9503 8.0562 120.6265 55.3997 18.0941 179.7831 63 V 3.6975 8.0055 116.5839 66.2387 31.5141 177.8823 64 E 4.0158 8.2555 118.8328 59.1309 29.4819 178.7896 65 L 3.9721 8.1912 119.2600 57.5781 41.7012 179.2061 66 F 3.9889 8.5143 120.6713 61.4783 39.5171 176.3223 67 H 4.1685 8.6853 118.2241 59.8395 29.6184 176.8215 68 T 3.7032 8.1279 117.3064 66.7958 68.3256 176.2120 69 A 3.4516 7.6077 122.4153 54.9314 18.1261 179.8674 70 S 4.0909 7.6701 112.6383 61.4233 63.0006 176.8076 71 L 3.9604 7.6532 122.3593 57.3902 41.1379 179.1602 72 I 3.6541 7.3470 118.8157 64.9393 37.5351 177.8848 73 H 4.3507 8.0900 116.7434 58.8959 28.4526 177.2371 74 D 4.3785 8.2576 119.8749 57.6944 40.9169 178.1350 75 D 4.3867 8.2332 118.7365 55.6565 41.0225 176.7392 76 L 4.0555 7.0286 119.3610 54.0331 41.7032 176.2229 77 P 4.4439 0.0000 0.0000 64.6763 31.3659 177.2131 78 P 4.4741 0.0000 0.0000 64.4090 33.0695 177.2352 79 I 3.9481 7.4383 117.6136 61.9273 35.7310 176.0897 80 D 4.5364 6.0500 131.0237 54.2970 42.4823 175.6833 81 N 4.0559 8.1894 117.8827 54.2596 37.6750 173.7809 82 A 4.5378 8.1041 120.5950 51.7499 19.7250 178.1904 83 D 4.3125 8.7497 123.2948 56.1507 41.4398 176.3428 84 F 5.1105 7.7255 115.5343 55.7081 42.7783 174.4872 85 R 4.3508 8.7356 125.2851 57.1080 31.9187 175.2582 86 R 3.8304 9.4115 123.8066 57.2786 27.0942 172.3366 87 G 3.6055 8.0983 102.0033 46.6455 0.0000 172.9417 *89 P 4.0035 0.0000 0.0000 61.6978 33.2043 177.6255 90 S 4.4098 8.1264 116.5553 58.0070 63.9597 174.8434 91 C 4.1913 9.0077 121.0576 63.3090 31.0862 175.6344 92 H 4.4688 8.1903 115.9118 58.7301 27.9757 177.5300 93 R 3.7829 7.0765 118.9456 58.7539 29.8454 178.5885 94 T 3.8384 7.4057 114.9032 65.5042 68.8440 175.7803 95 Y 4.4918 8.1925 115.4231 55.9608 40.2448 176.4841 96 G 4.1087 7.7494 108.0091 44.7449 0.0000 174.5960 97 E 3.9903 8.8643 121.1486 58.7316 29.6664 178.9931 98 D 4.3367 8.0355 118.9307 56.7144 39.4755 178.6165 99 I 3.6852 7.7507 121.1924 63.6429 37.2027 178.1500 100 A 3.9951 8.1954 121.7086 54.8918 18.2522 179.3629 101 L 3.8813 7.9700 118.8155 58.4343 42.1289 179.3243 102 L 3.9762 7.9096 118.6052 57.6691 41.5256 179.2518 103 A 4.0020 8.4371 121.3541 55.0079 18.2561 179.9316 104 G 3.1270 8.0307 104.0558 47.8509 0.0000 175.5955 105 D 4.2441 7.8928 121.7700 56.8240 40.7784 178.9956 106 G 3.7309 8.1421 106.4445 47.9682 0.0000 175.5739 107 L 3.9419 7.7658 121.4384 57.4097 41.6056 179.6149 108 F 4.4489 7.5768 117.6220 60.7617 38.7856 177.7583 109 F 4.8656 8.1307 117.3486 60.8426 38.6847 177.7061 110 L 4.0845 8.6661 118.8600 57.6096 41.3567 179.4606 111 A 4.0017 8.3060 120.7331 55.3996 18.3762 179.6377 112 F 4.0465 8.5385 116.2682 60.8031 38.7466 177.8928 113 S 4.1080 8.3025 112.1172 61.4276 62.2543 175.9720 114 Q 4.1407 8.0867 119.9068 59.0497 28.5519 178.3688 115 I 3.8537 7.3326 119.8750 63.9555 37.5660 179.3177 116 S 3.6306 8.1591 117.3648 57.9754 60.9365 175.9490 *118 I 4.0217 7.6844 123.1074 60.7567 39.1415 176.9401 119 G 3.9629 8.3974 106.3005 46.5228 0.0000 172.6468 120 N 4.6052 6.9454 118.1029 51.1207 40.4623 176.1200 121 S 3.9706 8.0581 124.1462 58.6147 62.4896 176.6836 *123 I 4.1977 7.9390 122.6915 61.5869 39.2171 178.2730 124 F 4.6093 7.8587 118.9475 60.6800 38.6751 177.3262 125 E 4.0450 8.6425 119.0357 59.4567 29.4366 178.7031 126 E 4.0574 8.2940 118.1320 59.4228 29.5583 178.9474 127 F 3.2672 8.7100 120.9787 61.1594 39.5153 177.4055 128 S 4.2826 8.3410 114.8219 61.5642 62.4234 176.2899 129 E 3.9476 8.1227 121.0712 59.4678 29.4542 178.6192 130 T 3.7868 7.6763 114.6743 66.4192 68.7506 175.9340 131 A 3.7741 7.4160 122.6806 55.1082 18.2833 180.3234 132 Y 3.9523 7.5885 116.3098 57.8576 38.8303 177.5092 *134 L 4.5180 7.8731 121.0213 54.6143 44.2402 178.3551 135 L 3.8510 7.8230 119.7172 58.1002 41.8929 178.6893 136 L 3.8920 7.6590 119.3172 57.7943 41.5752 179.7677 137 G 3.7051 8.0855 104.8518 47.8621 0.0000 175.0159 138 E 3.8847 8.2962 121.9491 58.8304 29.5773 178.5921 139 A 3.9305 8.2098 121.0938 55.5681 18.3692 179.5317 140 M 3.4058 8.0559 117.2214 58.1344 31.7604 178.4816 141 D 4.1589 7.7625 118.0744 57.2376 41.2995 178.4126 142 V 3.6053 7.7152 118.5955 66.2253 31.4820 177.9046 143 E 4.0237 8.3652 118.5633 59.4268 29.0740 179.2969 144 F 4.4856 8.2899 117.4446 60.6698 38.9977 177.0457 145 E 4.3813 7.9450 119.6921 58.1524 29.5899 178.1186 146 R 4.5037 7.6583 115.4712 55.8372 31.9396 176.9685 147 R 4.5823 8.4929 119.2737 55.8839 28.5593 178.3191 *149 M 4.2035 8.5577 126.3118 56.3816 31.9395 175.1283 150 E 4.0872 8.4851 115.9911 55.3012 30.4945 177.3586 151 V 3.9191 7.9880 123.7214 59.4389 33.1067 175.8165 152 S 4.3709 8.0445 122.7354 57.4764 65.2943 174.5202 153 Q 3.8178 8.4328 122.8303 59.4547 28.6203 178.0978 154 E 3.8537 8.0968 119.6041 59.6672 29.5779 178.5427 155 M 4.0520 8.0392 118.5951 58.3358 31.9831 178.9618 156 V 3.7384 7.6909 118.3880 66.1021 31.7284 177.9658 157 E 3.8024 8.2548 118.4938 59.2241 29.1605 179.3341 158 R 3.6225 8.2532 119.1511 59.4729 29.8955 178.0726 159 M 3.9373 8.0096 116.9099 59.0112 32.4624 177.4563 160 Y 4.2526 8.4595 116.4897 61.1741 38.0504 178.5286 161 A 4.1496 8.2116 121.6621 54.9821 18.2820 178.7027 162 F 4.8261 8.3182 114.8300 58.7794 38.8867 177.4662 *164 T 4.3499 7.8531 118.0753 63.6557 70.4758 176.5498 165 G 3.6995 8.4576 107.8641 47.6432 0.0000 175.6481 166 A 4.0465 7.9759 122.7317 54.9587 18.3711 179.5388 167 L 3.8623 7.7815 118.3971 58.2053 42.2009 179.0056 168 F 4.2952 7.7214 117.0666 60.3232 38.8006 177.3006 169 A 3.8839 8.5324 121.0211 55.2520 18.0705 179.5114 170 F 4.0535 8.3469 118.9820 61.6303 39.2644 177.0837 171 C 4.1032 8.2288 115.3622 62.9997 28.0059 175.9090 172 F 4.2259 8.4818 118.5480 60.4071 38.7383 177.8322 173 S 4.2287 8.1457 114.6598 61.4432 62.6959 176.3513 174 A 3.6886 7.7379 123.7548 54.7565 17.7557 177.9035 175 P 4.1293 0.0000 0.0000 65.6428 31.4701 178.5520 176 F 3.9736 8.3150 115.3503 60.4956 39.0130 177.1616 177 I 3.9171 7.7202 118.2821 64.2078 37.0050 179.8592 178 L 4.3023 7.8017 118.5678 53.8542 42.7081 178.2759 *180 G 3.5610 7.8341 107.5073 45.2903 0.0000 171.1487 *182 D 4.3960 7.9231 120.7441 54.8118 42.3578 174.7391 183 H 4.6971 8.6303 120.0226 55.6816 29.3496 175.8890 184 T 3.7123 7.6563 113.7869 65.5397 67.7565 174.3288 *186 M 4.1105 7.8730 120.2660 55.1682 33.3467 177.3462 *188 L 4.1090 7.9266 122.1588 55.0035 43.9956 178.3343 189 L 3.7267 7.9697 118.9149 57.9259 42.3928 178.1505 190 G 2.2090 7.9719 108.0010 47.9636 0.0000 175.6627 191 E 4.2699 7.4285 117.3307 56.7824 29.2691 178.0495 *193 F 4.4168 8.3011 120.8266 57.6035 41.1375 177.2279 194 G 3.5583 8.1939 107.3049 47.6199 0.0000 175.7344 195 V 3.6999 7.8320 120.4422 65.8463 31.4990 177.9270 196 A 3.8143 7.8866 119.9181 55.0103 18.1945 179.1061 197 F 3.8431 8.1733 119.4570 61.4005 39.3147 177.1523 198 Q 3.9745 8.4696 119.3332 59.2552 28.8772 178.1147 199 I 3.8102 7.9344 120.8417 64.8663 36.8993 178.0667 200 Y 4.3667 7.9504 117.6511 61.0471 37.3421 178.3856 201 D 4.3475 7.8891 119.2409 57.4016 41.3360 178.0185 202 D 4.6141 8.3730 119.6516 57.3669 40.8868 180.0046 203 L 4.3650 7.8913 117.9337 55.1962 41.6502 178.8962 *205 D 4.5450 8.1415 121.0492 54.5812 42.9671 178.2378 206 I 3.5422 7.5536 118.5003 64.3900 37.2999 178.0103 207 L 3.2606 7.6328 119.7819 57.5452 41.1683 179.9868 208 G 3.5533 7.7240 104.4052 47.6281 0.0000 175.4236 209 S 4.3217 7.8128 115.5695 60.7610 63.1385 175.6653 210 F 4.7373 7.5390 122.3519 57.3849 38.0629 176.1636 *222 E 4.1671 8.2210 120.0657 56.0120 31.4744 175.6452 *224 V 3.8867 7.5941 117.9465 62.6732 32.0690 174.1295 225 T 4.9791 8.2096 116.1619 59.3659 71.6952 173.8571 226 L 3.8593 8.9140 124.8465 58.0760 42.7680 178.1358 227 V 3.8352 7.1082 118.9470 63.3360 28.9415 176.6334 *230 V 3.9192 7.5103 112.7809 60.0349 33.8966 177.4098 231 G 4.1026 8.0768 104.2114 45.3051 0.0000 173.8827 232 I 3.7908 8.3183 120.0562 64.5412 37.4153 178.9017 233 Q 4.1278 8.0356 116.3841 57.1365 28.6127 177.1057 *235 A 4.1821 8.0906 120.6541 51.9203 20.5665 179.6762 236 R 3.8730 8.2152 115.7499 59.5028 29.8189 178.1619 237 E 3.9042 8.0240 118.0248 59.5570 29.6579 178.4734 238 M 3.8744 7.8086 116.6261 58.1840 32.3069 178.0328 239 A 4.1116 7.9682 120.8963 55.2168 18.3857 180.3529 240 D 4.9439 8.1209 115.6555 55.0095 40.6389 178.1056 *242 Y 4.9322 7.8226 119.5473 58.4666 40.0629 176.9896 243 Y 3.9522 8.5840 120.5286 60.5567 38.5994 177.5811 244 E 4.0451 8.4857 119.6474 59.2090 29.8470 177.9422 245 E 4.1139 8.2727 117.7368 59.3740 29.9173 178.4789 246 V 3.8279 8.0206 118.1585 65.9596 31.5464 179.0908 247 L 4.2355 7.9824 116.2904 55.2972 41.3603 179.3223 *249 G 3.8814 8.0522 109.9158 45.8119 0.0000 176.0623 250 I 3.5870 8.1049 121.5146 64.0440 37.4755 178.1306 251 E 3.7565 8.4357 121.4618 59.0369 29.5894 179.0186 252 S 4.0971 7.9791 111.9520 61.0499 63.1008 174.6605 253 E 4.1535 7.8799 118.2339 56.1669 29.4612 176.8902 254 G 3.4343 7.8294 107.1418 46.7892 0.0000 175.8331 255 L 4.2498 6.9376 121.2672 53.3075 38.7882 177.0071 256 F 4.3659 7.7008 121.3861 60.3306 39.5204 177.3357 257 R 4.0840 8.6608 117.9339 59.5901 29.7260 179.2561 258 T 3.8441 8.5707 115.8798 66.3311 68.1873 176.4040 259 L 3.9397 7.9168 121.3854 58.4456 42.1990 178.8902 260 F 4.0679 8.3567 116.1989 60.1452 39.0218 177.1119 261 L 4.2899 8.2895 120.1703 58.0691 41.7163 180.2481 262 L 4.5622 7.8645 117.0766 54.9081 41.9134 177.9935 *264 E 4.4091 8.1785 121.2357 56.3728 31.4208 178.2629 265 L 3.8405 8.0562 118.1848 55.6908 41.9384 178.2283 *267 Q 4.1791 8.2288 119.6386 55.8568 30.7029 176.8639 268 M 4.0090 7.9837 116.3761 58.5176 32.2518 178.5682 269 V 3.5096 7.6388 118.1370 66.0267 31.3710 177.9762 270 E 3.8943 7.7485 116.6991 58.8811 29.4314 178.0425 271 E 4.2867 7.6993 116.0520 56.6772 29.8733 176.7709 272 R 4.0578 7.5567 123.4025 56.4384 30.0983 176.3064 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 H 8.29 4.65 0.00 3.14 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 7.40 3.70 0.00 3.39 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.26 4.45 0.00 3.20 3.44 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 8.08 4.40 0.00 3.01 2.98 0.00 7.22 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.09 4.45 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 2 K 7.57 4.21 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.27 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.56 7.81 1 E 8.23 4.32 0.00 2.01 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 0.00 2.27 2.24 0.00 *6 V 7.83 4.24 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 1.04 0.00 0.00 0.95 0.00 0.00 7 E 8.26 3.96 0.00 2.17 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 2.42 2.33 0.00 8 E 8.11 3.91 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 9 R 7.91 4.09 0.00 1.97 2.06 0.00 3.30 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 10 I 8.01 3.70 2.03 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 1.53 0.66 0.91 0.00 0.00 11 R 8.23 3.96 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 12 E 8.05 3.99 0.00 2.15 2.02 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 2.35 2.46 0.00 13 I 7.80 3.92 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 1.54 0.61 0.94 0.00 0.00 14 L 7.65 4.65 0.00 1.71 1.69 0.95 0.80 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 15 R 7.20 3.93 0.00 1.95 1.86 0.00 3.27 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 16 P 0.00 4.57 0.00 2.08 2.11 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 17 G 9.63 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 18 W 8.44 4.74 0.00 3.42 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 19 D 8.16 4.42 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.95 4.73 0.00 1.90 1.58 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.55 4.04 0.00 1.71 1.78 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.84 3.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 23 E 8.07 3.93 0.00 2.21 2.02 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 2.49 2.45 0.00 24 E 7.96 3.90 0.00 2.06 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 2.42 2.41 0.00 25 A 7.68 3.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.82 3.90 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 27 L 7.96 3.93 0.00 1.92 1.86 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.35 4.20 0.00 3.26 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 29 S 8.22 4.04 0.00 3.93 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 30 A 7.95 4.17 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 31 T 7.39 4.45 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.88 0.00 0.00 119 G 8.40 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 0.00 120 N 6.95 4.61 0.00 2.50 2.34 0.00 0.00 7.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.06 3.97 0.00 3.88 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 *123 I 7.94 4.20 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 1.12 0.00 0.00 124 F 7.86 4.61 0.00 3.28 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 0.00 125 E 8.64 4.04 0.00 2.21 2.02 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 2.36 2.41 0.00 126 E 8.29 4.06 0.00 2.31 2.29 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 2.47 2.33 0.00 127 F 8.71 3.27 0.00 2.91 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 0.00 128 S 8.34 4.28 0.00 4.23 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 0.00 129 E 8.12 3.95 0.00 1.97 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 2.28 2.32 0.00 130 T 7.68 3.79 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 0.87 0.00 0.00 131 A 7.42 3.77 1.17 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 0.00 132 Y 7.59 3.95 0.00 3.07 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 *134 L 7.87 4.52 0.00 1.79 1.90 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.82 3.85 0.00 1.73 1.54 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.66 3.89 0.00 1.48 1.76 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.09 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.30 3.88 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 139 A 8.21 3.93 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 0.00 140 M 8.06 3.41 0.00 0.93 1.92 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.34 0.00 141 D 7.76 4.16 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.72 3.61 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 0.97 0.00 0.00 0.96 0.00 0.00 143 E 8.37 4.02 0.00 2.05 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 2.33 2.49 0.00 144 F 8.29 4.49 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.94 4.38 0.00 1.99 2.22 0.00 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0.00 0.00 0.00 0.00 0.00 *164 T 7.85 4.35 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 1.51 0.00 0.00 165 G 8.46 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 0.00 0.00 0.00 166 A 7.98 4.05 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 0.00 167 L 7.78 3.86 0.00 1.65 1.40 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.72 4.30 0.00 3.45 3.12 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 0.00 169 A 8.53 3.88 1.40 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 0.00 170 F 8.35 4.05 0.00 3.15 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 0.00 171 C 8.23 4.10 0.00 3.43 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 0.00 172 F 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0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.37 4.61 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.89 4.37 0.00 1.90 1.68 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *205 D 8.14 4.54 0.00 2.87 2.73 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 0.00 206 I 7.55 3.54 1.90 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 1.50 0.60 0.75 0.00 0.00 207 L 7.63 3.26 0.00 1.50 1.52 0.85 0.61 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 0.00 208 G 7.72 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 S 7.81 4.32 0.00 4.10 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 0.00 210 F 7.54 4.74 0.00 3.08 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 *222 E 8.22 4.17 0.00 2.20 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 0.00 2.29 2.34 0.00 *224 V 7.59 3.89 2.29 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 0.85 0.00 0.00 1.05 0.00 0.00 225 T 8.21 4.98 4.58 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 1.31 0.00 0.00 226 L 8.91 3.86 0.00 0.83 1.59 0.67 0.57 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 0.00 227 V 7.11 3.84 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 0.92 0.00 0.00 0.97 0.00 0.00 *230 V 7.51 3.92 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 0.70 0.00 0.00 0.92 0.00 0.00 231 G 8.08 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 0.00 232 I 8.32 3.79 1.89 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 1.32 0.69 0.93 0.00 0.00 233 Q 8.04 4.13 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 *235 A 8.09 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 R 8.22 3.87 0.00 1.92 2.21 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 237 E 8.02 3.90 0.00 1.98 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 2.25 2.32 0.00 238 M 7.81 3.87 0.00 1.74 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 239 A 7.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 D 8.12 4.94 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *242 Y 7.82 4.93 0.00 3.17 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 0.00 243 Y 8.58 3.95 0.00 3.36 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 E 8.49 4.05 0.00 2.16 2.05 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 2.38 2.42 0.00 245 E 8.27 4.11 0.00 2.11 2.22 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 2.34 2.43 0.00 246 V 8.02 3.83 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 1.12 0.00 0.00 1.05 0.00 0.00 247 L 7.98 4.24 0.00 1.94 1.71 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 *249 G 8.05 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 0.00 250 I 8.10 3.59 1.85 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 1.38 1.11 0.82 0.00 0.00 251 E 8.44 3.76 0.00 2.00 1.94 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 2.37 2.34 0.00 252 S 7.98 4.10 0.00 4.02 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 0.00 253 E 7.88 4.15 0.00 2.08 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 2.45 2.41 0.00 254 G 7.83 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 L 6.94 4.25 0.00 1.59 1.68 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 256 F 7.70 4.37 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 R 8.66 4.08 0.00 2.12 2.03 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 258 T 8.57 3.84 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 0.93 0.00 0.00 259 L 7.92 3.94 0.00 1.70 2.03 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 260 F 8.36 4.07 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 L 8.29 4.29 0.00 1.91 1.89 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 262 L 7.86 4.56 0.00 1.83 1.83 0.74 1.00 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 *264 E 8.18 4.41 0.00 2.22 2.29 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 2.37 2.39 0.00 265 L 8.06 3.84 0.00 1.96 2.06 1.11 1.15 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 *267 Q 8.23 4.18 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 268 M 7.98 4.01 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 269 V 7.64 3.51 1.55 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 0.15 0.00 0.00 0.62 0.00 0.00 270 E 7.75 3.89 0.00 2.02 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 2.16 2.17 0.00 271 E 7.70 4.29 0.00 1.91 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 0.00 2.29 2.43 0.00 272 R 7.56 4.06 0.00 1.84 1.77 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.