NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7268 8.3549 109.7428 45.1457 0.0000 172.8886 *2 K 4.4355 8.1353 117.1336 56.4835 33.7565 175.2357 3 I 5.0568 9.1092 127.0964 59.5283 39.4295 174.6888 4 A 5.4235 9.2768 129.8406 50.3273 21.4776 175.0507 5 L 5.3160 9.2308 124.4533 53.4120 44.7912 175.2891 6 I 5.1556 8.8162 126.0328 59.7639 41.1673 174.3017 7 I 4.7989 8.9157 127.7861 59.4462 40.7405 175.4937 8 E 4.5434 8.7212 124.4782 54.4811 31.7723 176.6247 9 N 4.3489 9.0494 116.9417 55.9380 37.2166 177.6168 10 S 4.1972 8.6642 112.9722 60.4031 63.3007 174.9184 11 Q 4.5438 8.1979 117.6265 55.2579 29.5598 176.8196 12 A 3.9114 7.9569 123.7218 55.3924 18.3483 180.3840 13 A 4.0692 7.9556 116.3326 54.2335 18.7187 177.9525 14 K 4.3573 8.1726 115.0711 56.2771 33.1035 177.9638 15 N 4.1616 8.3376 119.0562 56.6940 38.6792 176.4651 16 A 4.1735 7.9719 121.5878 55.1155 18.5319 179.6517 17 V 3.5704 7.7228 116.2502 66.1335 31.7031 178.2840 18 V 3.6899 7.7555 118.0183 66.3353 31.3627 177.3361 19 H 4.2081 8.6675 118.4439 59.2934 29.6688 176.7827 20 E 3.8712 8.7141 121.2463 59.2653 29.3709 178.6436 21 A 4.1387 8.2954 120.8875 55.1023 18.3722 179.4510 22 L 3.7724 8.3067 119.2761 58.4609 42.2285 179.3110 23 T 3.8237 8.3313 110.2626 65.0583 68.4280 176.5849 24 T 3.8722 7.8331 117.8343 66.0904 67.9127 176.1053 25 V 3.9875 7.6823 119.4609 65.4235 32.1390 177.9183 26 A 4.2701 8.3152 120.7228 54.7612 18.2128 179.4892 27 E 4.0545 8.2487 117.2538 59.2466 29.4219 177.7739 28 P 4.2726 0.0000 0.0000 64.6649 31.5553 176.9860 29 L 4.2212 7.1559 113.7049 54.7759 41.7886 177.4610 30 G 3.7808 8.3549 107.5202 45.6619 0.0000 173.1123 31 H 4.8646 7.4705 115.9390 54.0695 31.1933 174.2131 32 K 4.4688 8.4310 120.0251 54.6866 34.8790 174.4414 33 V 4.8474 8.2282 127.0130 61.3049 33.3746 174.5202 34 F 4.6813 9.7292 127.0309 55.7965 41.4547 174.2479 35 N 5.0389 8.8326 123.9871 52.7291 38.6820 174.0061 36 Y 4.2620 9.1325 123.8913 57.8919 38.8000 177.1076 37 G 2.7556 8.1295 106.7594 45.0505 0.0000 174.1160 *39 Y 4.8883 8.3932 114.6206 57.8033 39.7195 175.5943 40 T 4.7159 8.0968 106.9305 59.7526 72.0430 174.4758 41 A 4.0885 8.5465 124.1009 54.4547 18.5125 178.1898 42 E 4.4651 7.9988 113.9047 55.9833 29.9017 176.2660 43 D 4.4934 7.5931 119.8362 54.5247 41.4568 176.8365 44 K 3.9262 8.8175 124.4020 59.2140 32.3934 176.8476 45 A 4.3005 7.7440 122.8138 51.1869 17.3480 175.6168 46 S 4.6229 8.1905 115.6235 58.0747 63.9080 173.0034 47 L 4.9294 8.4470 125.4488 53.1688 44.7646 175.6794 48 T 4.8711 8.1917 112.3794 59.7297 71.1214 174.2162 49 Y 4.2429 8.4227 119.5209 59.9425 38.3167 178.5318 50 V 3.8350 6.7515 118.9899 63.4490 31.1258 177.2314 *52 N 4.6550 8.3999 117.4096 52.8314 40.6041 177.1473 53 G 3.5253 7.9536 104.3028 47.6236 0.0000 175.4971 54 L 3.8999 7.8792 123.0733 57.7160 42.0636 178.8085 55 L 3.8183 7.8067 119.5199 58.0454 42.1006 178.4284 56 A 3.9902 8.2428 121.0775 55.2509 18.2700 179.8853 57 G 3.5134 8.0702 104.0648 47.8348 0.0000 176.0429 58 I 3.7285 7.7088 122.1220 64.1860 37.1513 178.6066 59 L 4.0675 8.0002 119.8573 57.8281 41.3078 179.6306 60 L 4.2854 7.8426 120.2733 57.3208 41.3887 179.2516 61 N 4.5485 8.1249 115.6203 55.6183 38.8031 176.9876 62 S 4.4694 8.2269 114.9126 58.6641 63.3570 175.9283 63 G 3.8392 7.6342 108.6242 45.4170 0.0000 174.3721 64 A 4.2039 7.8437 121.6728 53.4004 18.5349 178.0315 65 A 4.7447 7.8672 117.9721 50.6912 22.2120 176.2210 66 D 4.8029 9.1039 120.6699 55.7731 42.2316 176.8694 67 F 5.0364 7.9609 119.2848 56.7537 43.2821 172.9568 68 V 4.9645 8.2308 124.7336 61.0902 34.6646 174.0853 69 V 4.9190 9.4433 128.6733 61.9433 33.5658 174.2105 70 T 5.2096 8.7639 123.0903 62.1096 70.9025 172.2729 71 G 4.4999 8.8935 107.2264 44.7164 0.0000 172.1068 *73 G 3.9951 8.2586 107.4344 45.1114 0.0000 174.6710 74 T 4.1408 7.9284 106.9977 60.4346 71.5838 173.7926 75 G 3.3863 7.7372 109.8889 45.9830 0.0000 174.4463 *77 G 2.9939 7.7944 109.5979 45.4459 0.0000 176.8980 78 S 4.4736 7.0098 114.6005 58.1760 62.0264 176.7088 *80 L 4.1858 8.1558 121.8265 54.8751 43.5385 179.3210 81 A 3.9485 8.2544 121.0749 55.1366 18.5925 179.5717 82 A 3.9685 8.0751 117.9760 55.3842 18.4452 178.6022 83 N 4.3647 7.4996 110.8496 55.0186 39.0166 175.8341 84 A 4.1781 7.2232 122.7987 51.1639 17.9492 175.6122 *86 P 3.9585 0.0000 0.0000 64.3624 32.5947 178.0253 87 G 3.9573 8.5406 106.7225 45.8905 0.0000 173.4179 88 V 4.1869 6.8497 119.8622 61.1673 32.8823 175.2429 89 F 4.7775 9.6408 125.5915 55.8700 41.5400 172.6915 90 C 4.9055 9.1637 124.5542 57.4232 32.8103 173.6658 91 G 3.2823 8.6858 114.2618 45.3947 0.0000 172.0717 92 L 5.0207 8.1149 123.1298 53.3744 42.9650 175.3723 93 V 4.2616 7.9824 126.2974 61.5033 32.9813 174.2792 94 I 4.2259 8.7735 126.7515 62.4439 39.2333 175.6452 95 D 5.0144 8.3634 118.6305 50.5471 43.2996 174.9417 96 P 4.2948 0.0000 0.0000 65.8678 31.0830 179.1917 97 T 3.9314 7.9256 114.3953 66.5354 68.3744 176.2318 98 D 4.3756 9.1046 121.0085 57.3989 40.8621 178.8634 99 A 4.0633 8.0585 121.1154 55.0482 18.4346 179.3615 100 F 4.0672 8.3876 119.2030 61.6380 39.4806 177.4205 101 L 3.7219 8.2338 118.6760 57.4832 41.2943 179.1603 102 F 4.7127 8.0194 122.4430 60.8765 39.3110 177.5254 103 G 3.3532 8.1552 105.2214 47.3563 0.0000 175.4213 104 Q 4.0600 7.5974 119.6092 57.2740 28.8321 177.8400 105 I 3.8744 7.7230 120.0646 63.6532 38.0569 177.4005 106 N 4.3555 7.8586 116.1207 53.0804 39.5508 174.5975 107 D 4.1129 7.6570 118.8781 54.9308 40.0118 172.3230 108 G 4.0176 6.3655 107.5147 45.3381 0.0000 172.2771 109 N 5.0391 8.7374 113.3713 52.1635 38.6390 173.8391 110 A 4.5259 7.4951 119.6592 50.9865 22.7750 175.6408 111 I 4.8927 8.7321 112.8878 59.1802 41.4993 174.2652 112 S 5.5942 9.2363 118.2347 54.7805 66.3339 170.6503 *114 P 4.1694 0.0000 0.0000 62.8736 31.6869 175.8019 115 Y 4.1250 8.4171 119.2997 57.9220 39.1382 175.3932 116 S 4.5158 8.0284 112.9035 59.7186 65.6685 173.6806 117 K 4.0389 8.2237 122.9264 57.9215 31.9317 177.1634 118 G 3.8543 8.9945 114.1470 45.7369 0.0000 173.0451 119 F 4.5990 8.2140 122.9643 56.2152 39.3208 175.4960 120 G 4.0697 7.6395 123.4808 43.4016 0.0000 170.5800 121 W 4.4545 9.0322 123.3186 58.6618 29.4002 175.7824 122 A 3.8106 9.2941 123.1767 52.9436 15.8880 178.8943 123 A 3.7028 7.9252 122.0489 55.4801 18.1824 180.2717 124 E 4.0947 7.8805 115.4541 59.0869 29.7482 179.1056 125 L 4.1331 7.9705 120.8061 57.5024 41.7310 178.6027 126 N 4.2997 7.9908 116.5955 56.3396 38.8031 176.8100 127 L 3.6417 7.5421 120.2350 57.7331 41.6544 179.4048 128 Q 4.0652 7.6829 117.8737 59.1494 28.4392 178.6534 129 D 4.3264 7.7972 118.6945 57.3106 41.1131 178.8411 130 V 3.6825 7.7889 118.7361 66.2389 31.5852 177.6974 131 Y 4.2686 7.8887 116.7832 61.2895 37.2298 178.8310 132 R 4.0702 8.4256 119.1171 59.2409 29.8993 179.1399 133 K 4.3136 7.8448 117.4146 58.6631 32.1696 178.6649 134 L 4.1684 7.4672 117.7790 55.6602 42.1290 177.2218 135 F 4.9593 7.7250 114.2087 56.9683 39.7494 174.5296 136 D 4.8242 7.9207 121.8745 53.8479 42.5143 176.1649 137 G 4.0544 9.0346 114.9975 45.4210 0.0000 173.1937 138 E 4.1642 8.4054 115.5452 55.6922 30.3903 177.7380 139 R 4.4962 8.3633 121.5823 55.1594 32.0590 176.5184 140 G 3.8357 8.6618 107.5277 46.3869 0.0000 175.5351 141 L 3.7989 7.8038 120.0674 54.7964 41.9903 177.1015 142 G 4.5542 7.4979 106.3478 45.3697 0.0000 172.8521 143 Y 4.6084 8.1658 120.7711 54.7515 40.8866 173.1489 144 P 4.3637 0.0000 0.0000 61.6389 32.5259 177.4711 145 R 4.2146 8.7153 121.6720 59.1390 30.1988 178.4766 146 E 4.1088 8.1586 113.8339 58.6729 29.9578 183.2961 147 R 4.3609 8.5667 118.2388 56.2905 29.9309 177.4235 148 A 4.1678 7.4232 118.4023 54.5104 18.8568 179.1820 149 E 4.1629 8.0376 116.1118 59.2671 29.9726 180.0748 150 I 3.9194 7.5640 115.6713 62.0953 36.2076 177.6922 *152 R 4.1604 8.0392 123.3453 56.3795 31.9103 177.8365 153 K 3.9856 7.8842 116.8614 59.5965 32.0228 179.1376 154 N 4.3599 8.3387 116.8504 56.3637 38.3693 177.7218 155 R 3.9179 7.9470 119.2589 59.0197 30.1485 179.1694 156 G 3.5387 7.6464 104.8843 47.8110 0.0000 175.9540 157 I 3.7679 7.6900 122.3277 63.8454 36.9804 178.3266 158 L 3.9910 8.0822 121.4034 58.2358 41.9230 179.2352 159 R 4.0953 7.8817 118.0331 59.4233 29.8549 178.9650 160 E 4.0013 8.2626 118.4485 59.1604 29.4336 179.1974 161 L 3.9754 8.0109 120.5210 58.0928 42.1416 179.0061 162 K 4.4980 8.4876 121.2827 58.9749 31.8863 178.5231 163 D 4.3665 8.1372 118.5854 57.1788 40.7402 178.1913 164 A 4.1961 7.5750 121.0489 54.5907 18.8582 179.3503 165 S 4.2563 7.9339 112.3969 59.8765 63.6621 174.1174 166 C 4.7807 7.7145 119.4860 57.7086 29.3986 173.9639 167 R 4.3471 8.2315 122.8845 55.5370 31.7188 179.1783 168 D 4.8058 7.9326 122.6474 52.9478 39.0680 178.3284 *170 L 4.1081 8.6724 116.1236 55.1548 43.6381 178.6215 171 T 3.7924 7.8718 114.6868 66.5757 68.2261 176.7765 172 V 3.5333 7.7690 120.1187 65.9812 31.3152 178.1047 173 L 3.9153 7.5370 117.2057 57.6754 41.5592 179.2065 174 K 3.9394 7.6787 117.5045 58.2280 32.0538 177.8122 175 T 4.4422 7.1682 107.2985 61.2985 70.3403 175.2664 176 V 3.7056 7.5615 121.8209 60.8297 32.2248 175.8039 177 D 4.2891 8.6798 119.7575 55.4114 41.8184 177.6320 178 Q 4.1456 8.7261 125.9243 58.5404 28.9204 177.9583 179 D 4.4128 8.8105 120.7618 56.6412 40.8936 178.4366 180 L 3.9130 7.8680 120.7941 57.7721 41.9808 178.5058 181 L 3.8606 7.5844 119.2196 58.2106 42.2207 178.7125 182 R 3.9493 7.9749 117.7206 59.3459 29.9327 178.9353 183 A 3.9173 8.0576 120.1402 55.0881 18.1256 179.5659 184 A 3.9877 7.8633 118.5884 54.0174 18.3920 178.3108 185 I 3.5213 6.7425 108.2164 60.3770 37.6230 176.2795 186 A 4.1642 7.5883 122.9925 53.1119 18.8591 178.9160 187 G 3.9961 7.9534 105.9225 45.3894 0.0000 174.7274 188 E 4.0888 9.0262 119.8375 58.3623 29.9249 177.8385 189 K 4.4685 8.0885 116.7536 56.0494 33.2540 177.4559 190 F 4.1160 8.4678 122.6298 61.4989 39.1245 176.7959 191 A 4.3670 8.4065 119.6919 55.3582 18.0487 178.9999 192 E 3.9428 8.1762 116.0881 59.5314 29.8798 178.5637 193 L 4.2076 7.9887 118.2441 57.3685 41.9488 178.7929 194 F 4.0521 8.3538 121.0222 61.0070 39.0333 176.9163 195 Y 3.9586 7.4145 116.1493 60.7301 37.6346 177.3435 196 P 4.3233 0.0000 0.0000 64.5719 31.8406 176.6050 197 N 4.6333 8.0396 114.6439 52.8623 39.7533 173.9456 198 C 4.1008 7.0514 119.5000 58.9527 31.4990 173.2902 199 K 4.0686 8.8189 127.2664 57.3004 32.6112 176.8909 200 D 4.7056 7.6664 118.4491 52.6222 41.7256 175.8019 201 D 4.4521 8.6278 128.1504 57.3540 40.9260 178.5692 202 A 4.1428 8.1305 120.8088 55.1398 18.3512 179.6487 203 I 3.7963 8.2169 118.1418 64.5139 37.1894 178.3989 204 A 4.5439 8.1098 121.2041 55.6108 18.2735 179.4765 205 N 4.3481 8.9328 115.2824 56.5507 38.3856 177.1158 206 Y 3.9469 8.0850 119.9665 60.7366 39.2719 177.6991 207 L 4.1665 8.5255 120.2523 57.8501 41.6332 179.7238 208 R 4.0064 8.4998 118.5771 59.0681 29.8158 178.8918 209 S 3.8023 7.7364 112.5344 60.4624 62.8926 175.7160 210 L 4.0789 7.3755 121.5823 56.1680 41.6320 176.3669 211 D 4.4877 8.6125 124.7786 54.3909 40.9094 176.1124 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 0 G 8.35 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 *2 K 8.14 4.44 0.00 1.77 1.82 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.67 7.81 3 I 9.11 5.06 1.74 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.49 0.89 0.00 0.00 4 A 9.28 5.42 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 5 L 9.23 5.32 0.00 1.84 1.63 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.82 5.16 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.98 0.00 0.00 7 I 8.92 4.80 1.79 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 1.24 0.75 0.87 0.00 0.00 8 E 8.72 4.54 0.00 2.37 2.32 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 2.53 2.44 0.00 9 N 9.05 4.35 0.00 2.94 3.21 0.00 0.00 7.18 6.73 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 10 S 8.66 4.20 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.20 4.54 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 12 A 7.96 3.91 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 13 A 7.96 4.07 1.30 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 0.00 0.00 0.00 14 K 8.17 4.36 0.00 1.69 1.62 0.00 1.44 0.00 0.00 1.15 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.29 7.81 15 N 8.34 4.16 0.00 2.67 2.89 0.00 0.00 7.03 8.84 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 16 A 7.97 4.17 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 17 V 7.72 3.57 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 1.19 0.00 0.00 1.00 0.00 0.00 18 V 7.76 3.69 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 1.08 0.00 0.00 0.53 0.00 0.00 19 H 8.67 4.21 0.00 3.34 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.71 3.87 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 21 A 8.30 4.14 1.61 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 22 L 8.31 3.77 0.00 1.72 1.88 0.28 0.68 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 23 T 8.33 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 1.12 0.00 0.00 24 T 7.83 3.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 25 V 7.68 3.99 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.15 0.00 0.00 26 A 8.32 4.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.25 4.05 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 28 P 0.00 4.27 0.00 2.05 2.11 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 29 L 7.16 4.22 0.00 1.85 1.69 1.10 0.97 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 30 G 8.35 3.78 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 0.00 0.00 0.00 31 H 7.47 4.86 0.00 3.07 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.43 4.47 0.00 1.77 1.71 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.27 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.59 1.08 7.81 33 V 8.23 4.85 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 0.94 0.00 0.00 0.84 0.00 0.00 34 F 9.73 4.68 0.00 3.12 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.08 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.50 4.36 0.00 2.55 2.83 0.00 0.00 7.04 7.23 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 84 A 7.22 4.18 1.30 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 0.00 0.00 0.00 *86 P 0.00 3.96 0.00 2.22 2.33 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 87 G 8.54 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 88 V 6.85 4.19 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 0.73 0.00 0.00 0.89 0.00 0.00 89 F 9.64 4.78 0.00 2.96 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 90 C 9.16 4.91 0.00 2.93 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.22 4.04 0.00 1.70 1.73 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 118 G 8.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.21 4.60 0.00 3.03 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 0.00 120 G 7.64 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 0.00 121 W 9.03 4.45 0.00 3.15 3.18 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 0.00 122 A 9.29 3.81 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 0.00 123 A 7.93 3.70 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.88 4.09 0.00 2.25 2.31 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 2.36 2.37 0.00 125 L 7.97 4.13 0.00 1.77 1.72 0.88 0.74 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 0.00 126 N 7.99 4.30 0.00 2.76 2.89 0.00 0.00 7.23 6.66 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 0.00 127 L 7.54 3.64 0.00 1.88 1.36 1.26 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.68 4.07 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 129 D 7.80 4.33 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.79 3.68 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 1.01 0.00 0.00 0.92 0.00 0.00 131 Y 7.89 4.27 0.00 3.29 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 0.00 132 R 8.43 4.07 0.00 2.03 2.03 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 133 K 7.84 4.31 0.00 1.91 1.99 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.89 7.81 134 L 7.47 4.17 0.00 0.45 0.70 0.85 0.95 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 0.00 135 F 7.73 4.96 0.00 3.07 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 0.00 136 D 7.92 4.82 0.00 2.85 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 0.00 137 G 9.03 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 0.00 138 E 8.41 4.16 0.00 2.00 1.75 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 2.23 1.90 0.00 139 R 8.36 4.50 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 140 G 8.66 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 L 7.80 3.80 0.00 1.83 1.73 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.50 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.17 4.61 0.00 2.84 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 0.00 144 P 0.00 4.36 0.00 2.09 1.75 0.00 3.66 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 145 R 8.72 4.21 0.00 2.08 2.09 0.00 3.37 0.00 0.00 3.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 0.00 146 E 8.16 4.11 0.00 1.89 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 2.31 1.86 0.00 147 R 8.57 4.36 0.00 1.74 1.94 0.00 3.03 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 148 A 7.42 4.17 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 0.00 149 E 8.04 4.16 0.00 1.99 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 2.30 2.41 0.00 150 I 7.56 3.92 1.86 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 1.29 0.59 0.90 0.00 0.00 *152 R 8.04 4.16 0.00 1.90 2.10 0.00 3.15 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 K 7.88 3.99 0.00 2.03 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.65 7.81 154 N 8.34 4.36 0.00 2.76 2.85 0.00 0.00 7.10 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.95 3.92 0.00 1.91 1.80 0.00 3.03 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 156 G 7.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.69 3.77 1.98 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 1.64 1.14 0.91 0.00 0.00 158 L 8.08 3.99 0.00 1.81 1.78 1.04 0.84 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 0.00 159 R 7.88 4.10 0.00 2.03 1.99 0.00 3.14 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.60 0.00 160 E 8.26 4.00 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 161 L 8.01 3.98 0.00 1.87 1.89 0.94 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.49 4.50 0.00 2.08 1.96 0.00 1.60 0.00 0.00 1.28 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.32 7.81 163 D 8.14 4.37 0.00 2.89 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 0.00 164 A 7.57 4.20 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 S 7.93 4.26 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.71 4.78 0.00 3.00 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 0.00 167 R 8.23 4.35 0.00 1.77 1.83 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 7.93 4.81 0.00 2.81 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 L 8.67 4.11 0.00 1.74 1.90 0.84 0.75 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 0.00 171 T 7.87 3.79 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 1.16 0.00 0.00 172 V 7.77 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 173 L 7.54 3.92 0.00 1.46 1.48 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.68 3.94 0.00 1.70 1.76 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 1.03 7.81 175 T 7.17 4.44 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 1.19 0.00 0.00 176 V 7.56 3.71 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 0.70 0.00 0.00 0.89 0.00 0.00 177 D 8.68 4.29 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Q 8.73 4.15 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 179 D 8.81 4.41 0.00 2.76 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 0.00 180 L 7.87 3.91 0.00 1.70 1.85 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.58 3.86 0.00 1.67 1.82 0.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.97 3.95 0.00 1.98 1.91 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 183 A 8.06 3.92 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 0.00 184 A 7.86 3.99 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 0.00 185 I 6.74 3.52 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.25 0.00 0.00 186 A 7.59 4.16 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 0.00 187 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.09 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 189 K 8.09 4.47 0.00 1.89 1.83 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.17 7.81 190 F 8.47 4.12 0.00 3.32 3.26 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 0.00 191 A 8.41 4.37 1.64 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 0.00 192 E 8.18 3.94 0.00 2.01 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 2.30 2.42 0.00 193 L 7.99 4.21 0.00 1.27 1.35 0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.35 4.05 0.00 2.08 2.06 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 0.00 195 Y 7.41 3.96 0.00 3.10 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 0.00 196 P 0.00 4.32 0.00 2.04 2.13 0.00 3.54 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 197 N 8.04 4.63 0.00 2.50 2.57 0.00 0.00 6.47 7.40 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 0.00 198 C 7.05 4.10 0.00 1.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.82 4.07 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.31 7.81 200 D 7.67 4.71 0.00 2.72 2.62 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 0.00 201 D 8.63 4.45 0.00 2.76 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 0.00 202 A 8.13 4.14 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 0.00 203 I 8.22 3.80 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 1.14 0.00 0.00 204 A 8.11 4.54 1.64 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 0.00 205 N 8.93 4.35 0.00 2.95 2.95 0.00 0.00 6.69 7.42 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 0.00 206 Y 8.08 3.95 0.00 3.12 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 0.00 207 L 8.53 4.17 0.00 2.02 1.85 0.75 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.50 4.01 0.00 2.05 1.92 0.00 3.02 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 209 S 7.74 3.80 0.00 3.91 4.06 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 0.00 210 L 7.38 4.08 0.00 1.68 1.67 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 211 D 8.61 4.49 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.