NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 3.3963 8.1849 122.4295 54.6294 42.8762 175.6846 2 K 4.3385 8.3862 125.8592 56.3830 35.2379 174.8428 3 A 5.1864 7.8349 119.8517 50.1299 23.6391 174.7577 4 V 4.6714 8.9288 120.2529 61.0857 34.5806 174.2854 5 I 5.0002 8.7444 129.1227 59.8535 39.1741 174.9103 6 F 5.0333 9.6383 126.1002 56.1479 41.8805 174.7179 7 D 5.1798 8.5212 121.1241 53.1161 43.8956 176.5745 8 L 4.1995 8.5029 120.7225 57.1829 42.8424 175.8795 9 D 4.6147 8.0132 118.4919 55.4677 41.2454 178.1101 10 G 4.0307 8.8215 109.7652 45.6201 0.0000 174.2386 11 V 4.2305 8.2079 118.2155 64.0397 32.9248 176.2800 12 I 4.3826 8.6166 119.9587 61.6949 39.1965 175.6621 13 T 4.7244 7.6195 108.9402 59.7941 71.7135 173.6026 14 D 4.7873 8.4477 124.1224 53.2873 38.1291 177.1444 15 T 4.1939 7.8047 115.3946 65.2129 69.1974 175.5639 16 A 4.1059 8.2228 123.4874 55.0589 18.2249 178.7395 17 E 3.9124 8.0452 116.7866 60.0317 29.6210 178.8808 18 Y 4.5030 7.2432 115.9635 61.4085 37.8471 178.3951 19 H 4.4077 9.0733 117.8846 58.6575 28.7509 177.3045 20 F 4.4925 8.7579 122.9021 61.6170 39.1728 177.0584 21 L 3.5671 8.6417 118.4859 58.1337 41.5029 178.7305 22 A 4.0375 8.0597 120.9482 54.6184 18.1661 179.2788 23 W 4.2050 8.1456 115.3103 59.6452 29.2845 178.7244 24 K 3.6220 7.5786 119.0578 59.9324 31.5336 178.5251 25 H 4.6810 7.9943 117.8666 58.4485 28.6007 177.8003 26 I 3.7699 7.5903 120.9657 64.4408 36.8139 178.3458 27 A 4.0633 7.7466 121.0825 54.9171 17.9138 179.4886 28 E 4.0186 8.3090 117.2414 59.9325 29.4567 179.6838 29 Q 4.0701 8.1999 116.4994 58.0381 28.7422 177.8698 30 I 4.2617 7.3656 117.1896 59.6322 38.9142 174.4846 31 D 4.4604 8.8821 116.6802 55.6933 38.3121 174.4233 32 I 4.6280 8.5233 118.7700 58.8951 41.0007 174.3129 33 P 4.5436 0.0000 0.0000 62.7095 31.7849 174.7715 34 F 4.6990 8.8229 123.5348 59.0216 41.1308 174.7483 35 D 4.6154 8.1186 122.4677 52.4159 39.9526 173.8139 36 R 3.9497 8.1026 117.4549 58.9491 30.5915 178.9814 37 D 5.3635 7.9758 113.7273 55.1784 40.8287 177.4909 *39 N 4.6309 8.2674 119.3273 53.5648 40.3418 176.4005 40 E 4.0342 8.6932 116.9968 59.1008 29.8056 179.3033 41 R 3.9984 7.7351 118.2449 58.7643 30.3324 177.2149 42 L 4.3038 7.8840 118.5867 55.1322 41.5144 177.0743 43 K 4.0279 7.4447 120.9325 55.8118 31.8005 181.5347 44 G 3.9888 8.9680 111.7308 44.8512 0.0000 172.8003 45 I 4.3116 7.1132 119.9989 59.1593 38.7311 176.1354 46 S 4.1815 8.7335 120.0786 59.3857 63.9452 176.1249 47 R 4.3764 8.8537 132.2499 62.6256 29.0593 178.9018 48 E 4.2982 8.2345 117.3953 60.8602 29.8881 180.3839 49 E 4.2670 8.0080 119.3761 59.3646 29.8890 178.3987 50 S 3.8655 8.6207 115.9240 61.8288 62.7950 176.3063 51 L 3.8037 7.8155 122.3985 58.6573 41.6953 178.9526 52 E 3.9682 7.9875 118.4434 59.1383 29.5316 179.0296 53 S 4.1488 8.0894 115.5491 61.3747 63.0313 176.5436 54 I 3.8571 7.6378 122.0231 64.5368 36.9277 178.2628 55 L 4.1291 8.2522 119.9929 58.0233 41.5186 179.7647 56 I 4.3470 8.0866 121.2270 63.8036 36.7801 178.2648 57 F 4.5825 8.3892 121.1210 60.6933 39.2686 175.8897 58 G 3.6271 7.8372 104.7852 44.3656 0.0000 173.4768 59 G 3.9428 7.7210 107.1808 46.6592 0.0000 174.0915 60 A 4.6845 8.7423 116.5386 51.3553 21.2059 178.3028 61 E 4.2373 8.3250 116.6898 59.2778 29.7855 178.4869 62 T 4.3747 7.6899 115.3308 64.1935 69.6160 176.7466 63 K 3.8991 7.7151 120.3415 58.1177 32.1756 176.6925 64 Y 4.9958 6.9855 116.4132 55.7373 40.6648 176.2854 65 T 4.2659 8.6415 114.8195 61.0404 71.1445 175.5026 66 N 4.2670 8.6591 118.7609 56.8161 39.0277 176.1845 67 A 3.9989 8.1546 121.6975 55.6989 18.3489 179.4083 68 E 3.9815 8.6683 117.0915 59.4256 29.3326 179.6790 69 K 4.0359 8.0445 117.7180 59.3609 32.1240 179.0282 70 Q 4.2161 8.4971 120.3850 59.8370 28.9423 179.1109 71 E 4.1739 8.2226 119.0045 61.0347 29.6679 180.9652 72 L 4.0835 8.1514 117.3927 56.3737 42.0682 178.3873 *74 H 4.5249 8.0583 120.6458 56.2338 31.7543 175.3710 75 R 3.7787 8.4017 119.1912 59.2270 29.8127 178.0306 76 K 3.6352 7.6762 119.6095 59.7811 31.9151 177.8002 77 N 4.1903 7.8357 116.3111 56.7418 38.6771 176.8904 78 R 3.8606 7.5660 118.6151 58.9380 30.0270 178.0291 79 D 4.4294 8.7536 118.6200 57.5345 41.1611 177.6702 80 Y 4.0319 8.2092 120.0682 60.7479 38.8358 180.0911 81 Q 4.1086 8.3058 118.0781 56.0493 29.0997 178.7036 *83 L 4.0890 7.9331 121.5877 54.8757 43.3513 179.5555 84 I 3.3065 7.4972 119.5938 63.8017 37.0912 178.3885 85 S 4.1590 7.7509 114.1993 60.2131 63.1316 174.9946 86 K 4.3761 7.3060 118.9710 55.8366 31.8566 176.5470 87 L 4.1105 7.0459 118.4393 55.4522 42.1172 176.4597 88 T 4.8376 8.6368 110.9768 59.1339 71.6600 172.9836 89 P 4.3876 0.0000 0.0000 65.2287 31.4210 178.9945 90 E 4.1939 7.8351 113.1864 57.7000 29.8334 182.6149 91 D 4.8165 7.8349 115.8589 55.1674 41.0023 176.0664 92 L 4.2929 7.3437 122.0067 54.2890 42.6394 176.5481 93 L 4.1852 8.1327 128.3412 54.6411 42.9520 175.0404 94 P 4.2878 0.0000 0.0000 64.0306 32.3679 177.3996 95 G 4.1405 9.0960 110.8686 46.7607 0.0000 176.2202 96 I 3.7810 7.6911 120.2764 64.2989 37.0870 178.3141 97 G 3.7597 8.2350 108.4418 48.8349 0.0000 176.1851 98 R 3.9792 8.0166 123.0048 60.7625 29.2680 180.4066 99 L 4.1438 7.7260 119.6147 58.1287 42.1201 178.7509 100 L 3.8617 8.0260 119.1800 58.1273 41.5172 178.7079 101 C 3.7683 8.0297 118.2474 62.9830 31.3706 175.8236 102 Q 3.9927 7.9944 118.8135 59.0124 28.2980 178.9052 103 L 3.9997 8.1473 122.3291 58.3793 41.5203 180.3835 104 K 3.9985 8.3806 123.7982 59.9332 31.5526 180.3002 105 N 3.9007 8.6033 117.9651 55.8551 38.7933 175.5067 106 E 4.4770 7.6950 116.7873 54.8560 30.8766 175.0368 107 N 4.1476 8.9326 116.4479 54.4096 36.3579 174.1904 108 I 4.4669 8.1229 118.7850 59.4593 39.0090 177.2291 109 K 4.1387 9.1293 127.4240 56.6646 33.3817 175.9115 110 I 5.0278 8.4799 124.3778 59.5754 40.2248 174.8349 111 G 4.8105 9.6246 113.2804 44.3935 0.0000 170.8603 112 L 5.3772 9.0371 121.3001 52.5169 44.8546 176.0934 113 A 4.9144 9.2403 129.1282 50.4775 17.3226 175.2241 114 S 5.0386 7.5281 114.6119 55.0140 65.0938 174.0155 115 S 4.2356 8.4470 119.6514 60.0928 62.6472 174.5645 116 S 4.2339 7.7487 115.3428 58.5465 62.4399 174.2057 117 R 4.1481 8.5184 125.2551 57.8912 30.5057 177.3392 118 N 4.7909 7.9105 114.5892 52.8051 38.6596 176.2707 119 A 3.8899 7.7994 124.4197 55.0082 18.4349 178.3900 120 P 4.0403 0.0000 0.0000 65.5170 31.3755 178.4803 121 K 3.7830 7.9955 117.7357 59.7361 32.1705 178.6208 122 I 3.6338 7.9591 120.1267 64.4617 37.0828 178.4113 123 L 3.9656 8.5149 120.2265 57.7291 41.3181 179.7662 124 R 3.8656 7.9689 118.7419 59.3925 29.9032 178.5157 125 R 3.9108 7.8992 116.9790 58.4995 30.0737 177.2967 126 L 4.4278 7.4591 115.6048 53.4581 42.5799 175.9996 127 A 3.7425 8.0437 120.9776 53.4215 16.3161 178.1056 128 I 4.7067 7.8765 109.9943 61.7033 38.6360 176.9223 129 I 3.8803 7.7599 122.0770 64.0150 38.0430 177.1324 130 D 4.5675 8.0129 118.6183 56.5348 41.0164 177.1488 131 D 4.4239 8.0817 119.0766 56.5944 41.0586 177.0205 132 F 4.4633 7.7523 116.7553 57.6068 39.4822 174.9729 133 H 4.9228 8.9134 120.5931 55.4966 29.9686 174.3435 134 A 4.6177 7.7359 120.2256 51.0258 22.5556 175.4310 135 I 4.8294 8.3221 123.1673 59.3740 40.2515 175.4072 136 V 4.0387 8.3610 128.0746 62.1485 32.3270 175.1076 137 D 4.6204 8.5185 127.2079 51.4129 40.5515 174.4368 138 P 4.1420 0.0000 0.0000 62.9831 32.8609 172.7944 *148 P 4.5469 0.0000 0.0000 62.5565 32.5881 177.2669 149 D 4.7859 8.5366 124.4442 52.9482 41.6005 177.3735 150 I 3.8878 7.6415 124.1263 64.1314 37.8040 177.5721 151 F 4.1156 8.2841 118.4336 60.3868 39.1129 177.5444 152 L 4.1592 7.9735 118.1005 57.8561 41.2584 179.6278 153 T 3.8844 7.9126 115.3682 66.5445 68.1941 176.4495 154 A 4.0859 7.4259 120.8456 55.3069 18.6689 179.2725 155 A 4.1912 8.1475 118.7363 54.8255 18.4433 180.0236 156 A 4.0030 7.6732 115.8801 53.0531 18.0771 178.9853 *158 L 4.1696 7.8107 119.4798 54.7354 43.8193 176.0079 159 D 4.4382 8.0974 116.6744 54.7705 39.6019 173.5822 160 V 4.5930 7.8412 109.7318 59.3391 36.4720 175.8077 161 S 4.3676 8.5348 117.2450 57.7775 63.7833 173.7088 162 P 4.2994 0.0000 0.0000 65.6424 31.3495 178.6858 163 A 4.2451 8.1790 119.8599 54.7505 18.6235 177.4082 164 D 5.3121 8.2204 114.6348 54.3368 42.1547 175.7615 165 C 5.6691 8.5117 115.5805 57.0194 31.3536 173.2528 166 A 5.1686 8.3996 122.9168 50.3671 21.5902 175.4712 167 A 5.1064 8.5434 122.2362 50.1517 22.2993 175.1365 168 I 4.7678 8.2242 122.8108 59.8764 39.6218 174.5348 169 E 4.9818 8.8406 125.4493 55.6595 33.0451 174.9462 170 D 4.9255 8.9126 119.8934 52.0479 41.2089 174.7081 171 A 4.9396 7.8353 124.5557 52.0144 21.3000 178.1594 172 E 3.6756 8.3215 124.1404 60.7079 30.3807 176.1926 173 A 4.2640 8.1122 121.4249 55.1307 18.5859 179.4933 174 G 4.0260 8.1939 104.7946 47.6502 0.0000 175.5782 175 I 3.6202 7.8652 121.7005 63.8098 37.0677 178.2945 176 S 4.0082 7.9132 113.4517 61.3729 62.1401 176.0477 177 A 4.0099 8.1228 123.4243 55.3798 17.9301 179.6580 178 I 2.8821 7.4033 119.5855 64.6086 37.2438 179.3444 179 K 4.1360 8.0113 126.8537 60.6420 31.4552 181.7064 180 S 4.1442 8.3669 119.0082 63.1605 62.1421 177.8102 181 A 4.6171 7.9837 120.6311 51.1979 19.2175 176.8688 182 G 3.5651 8.4128 110.6771 46.1727 0.0000 171.8730 *184 F 4.0078 7.7031 122.3665 58.1710 41.5497 172.9766 185 A 4.7143 7.8882 127.9353 50.1471 21.1056 175.2585 186 V 4.2346 8.4497 124.0273 61.4015 33.3862 175.1092 187 G 4.5092 8.8912 115.8190 44.3467 0.0000 173.8446 188 V 5.6033 7.6293 120.8213 59.5841 31.6223 175.6870 *196 G 3.6901 8.0154 105.6149 46.9163 0.0000 172.5200 197 A 4.7558 7.5502 119.3616 49.7564 22.5612 176.5495 198 D 4.6718 8.0949 118.5283 56.8113 41.6024 177.1915 199 L 4.5736 7.3145 119.4004 53.8109 45.7189 174.0275 200 V 4.8707 8.4266 125.1648 61.2704 34.3486 174.7196 201 V 4.4658 8.4674 120.5238 59.7130 34.5040 177.1492 202 R 3.8703 8.8878 122.9485 58.7467 30.4928 176.9111 203 Q 4.7188 8.2322 114.7107 53.8791 31.9755 176.1410 204 T 4.0349 8.5749 109.1758 64.8387 68.6847 176.3095 205 S 4.2316 8.0234 115.1881 60.5505 63.0103 174.5956 206 D 4.4466 8.2143 120.2382 55.3285 40.8493 176.5138 207 L 4.3205 7.8042 120.3145 54.1837 40.9209 176.6700 208 T 4.6819 7.9639 114.3070 59.5411 72.7338 174.8079 209 L 3.9936 8.2973 123.0789 57.8617 42.1516 178.9910 210 E 3.9860 8.0762 117.4986 59.4155 29.5988 178.7755 211 L 3.9832 8.2390 122.1025 57.4088 42.0958 178.5372 212 L 4.0611 7.9745 120.3383 58.8919 42.0512 178.2430 213 H 4.2908 8.6366 116.4108 58.9489 28.6545 176.8669 214 E 3.9256 8.4570 120.4287 60.0508 29.5119 179.1894 215 E 4.0393 8.6307 118.3142 59.2735 29.4543 179.3647 216 W 3.1491 8.3628 128.4301 59.8001 30.0971 177.9778 217 E 3.6900 8.7344 119.0647 59.3779 29.0868 178.9758 218 Q 3.9081 8.0072 117.8635 59.3032 28.6249 178.3578 219 Y 4.2033 7.9615 121.6572 61.8680 38.8102 179.2685 220 R 3.5228 6.9446 119.6913 60.8162 29.5976 180.5669 221 I 4.0138 7.1818 120.8058 65.1245 36.8581 179.9994 222 R 4.2246 7.1509 115.6508 58.7189 28.9608 178.1888 223 E 4.2982 8.4214 125.5734 57.6853 30.7676 175.1472 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 1 L 8.18 3.40 0.00 0.27 1.25 -0.62 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.39 4.34 0.00 1.64 1.75 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.60 7.81 3 A 7.83 5.19 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 4 V 8.93 4.67 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 0.46 0.00 0.00 0.80 0.00 0.00 5 I 8.74 5.00 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 1.01 0.00 0.00 6 F 9.64 5.03 0.00 3.15 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 7 D 8.52 5.18 0.00 2.89 2.64 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 8 L 8.50 4.20 0.00 1.76 1.65 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.01 4.61 0.00 2.90 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 10 G 8.82 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.21 4.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 12 I 8.62 4.38 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.92 0.00 0.00 13 T 7.62 4.72 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 D 8.45 4.79 0.00 2.69 2.23 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 15 T 7.80 4.19 4.59 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 1.51 0.00 0.00 16 A 8.22 4.11 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 17 E 8.05 3.91 0.00 2.09 1.54 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 2.15 2.34 0.00 18 Y 7.24 4.50 0.00 3.18 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 19 H 9.07 4.41 0.00 3.58 3.54 0.00 5.83 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 F 8.76 4.49 0.00 3.43 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 21 L 8.64 3.57 0.00 1.82 1.71 1.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.06 4.04 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 23 W 8.15 4.21 0.00 3.29 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 0.00 0.00 0.00 24 K 7.58 3.62 0.00 1.32 1.59 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.53 7.81 25 H 7.99 4.68 0.00 3.16 3.27 0.00 5.71 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 26 I 7.59 3.77 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.92 0.00 0.00 27 A 7.75 4.06 1.51 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 28 E 8.31 4.02 0.00 2.20 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 2.39 2.59 0.00 29 Q 8.20 4.07 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 30 I 7.37 4.26 1.93 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 1.29 0.81 0.98 0.00 0.00 31 D 8.88 4.46 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.52 4.63 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 1.07 0.00 0.00 33 P 0.00 4.54 0.00 2.29 2.12 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 34 F 8.82 4.70 0.00 2.96 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 105 N 8.60 3.90 0.00 2.79 3.02 0.00 0.00 7.22 7.12 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 0.00 106 E 7.69 4.48 0.00 2.16 1.93 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 2.25 2.47 0.00 107 N 8.93 4.15 0.00 2.71 2.89 0.00 0.00 6.86 7.33 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 0.00 108 I 8.12 4.47 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 0.88 0.00 0.00 109 K 9.13 4.14 0.00 1.75 1.74 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 110 I 8.48 5.03 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.23 0.00 0.00 111 G 9.62 4.81 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 0.00 0.00 0.00 112 L 9.04 5.38 0.00 1.14 1.25 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 113 A 9.24 4.91 0.51 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 0.00 114 S 7.53 5.04 0.00 3.78 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 0.00 115 S 8.45 4.24 0.00 3.87 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 0.00 116 S 7.75 4.23 0.00 3.90 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 0.00 117 R 8.52 4.15 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 118 N 7.91 4.79 0.00 2.78 2.76 0.00 0.00 6.71 8.19 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 0.00 119 A 7.80 3.89 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 0.00 120 P 0.00 4.04 0.00 2.12 2.07 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 121 K 8.00 3.78 0.00 1.79 1.84 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 122 I 7.96 3.63 1.91 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 1.44 0.84 0.86 0.00 0.00 123 L 8.51 3.97 0.00 1.54 1.67 -0.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.97 3.87 0.00 1.97 2.09 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 125 R 7.90 3.91 0.00 1.94 1.95 0.00 3.29 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 126 L 7.46 4.43 0.00 1.84 1.68 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.04 3.74 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 0.00 128 I 7.88 4.71 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.90 0.00 0.00 129 I 7.76 3.88 1.96 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 1.44 1.30 0.92 0.00 0.00 130 D 8.01 4.57 0.00 2.71 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 0.00 131 D 8.08 4.42 0.00 2.67 2.40 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 0.00 132 F 7.75 4.46 0.00 3.08 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 0.00 133 H 8.91 4.92 0.00 3.00 3.35 0.00 5.89 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 0.00 134 A 7.74 4.62 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 0.00 135 I 8.32 4.83 1.82 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 1.07 0.71 0.79 0.00 0.00 136 V 8.36 4.04 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 0.70 0.00 0.00 0.87 0.00 0.00 137 D 8.52 4.62 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.14 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 *148 P 0.00 4.55 0.00 2.17 1.26 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 149 D 8.54 4.79 0.00 2.54 2.54 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 0.00 150 I 7.64 3.89 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.58 0.00 0.00 151 F 8.28 4.12 0.00 3.12 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 0.00 152 L 7.97 4.16 0.00 1.86 1.77 1.05 0.87 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 0.00 153 T 7.91 3.88 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 1.22 0.00 0.00 154 A 7.43 4.09 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 0.00 155 A 8.15 4.19 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 0.00 156 A 7.67 4.00 1.43 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 *158 L 7.81 4.17 0.00 1.71 1.80 0.98 1.13 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 0.00 159 D 8.10 4.44 0.00 2.85 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 0.00 160 V 7.84 4.59 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 0.80 0.00 0.00 0.95 0.00 0.00 161 S 8.53 4.37 0.00 4.06 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 0.00 162 P 0.00 4.30 0.00 2.27 2.32 0.00 3.66 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 2.17 2.15 0.00 163 A 8.18 4.25 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 0.00 164 D 8.22 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 0.00 165 C 8.51 5.67 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.40 5.17 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 0.00 167 A 8.54 5.11 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 0.00 168 I 8.22 4.77 1.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.87 0.92 0.00 0.00 169 E 8.84 4.98 0.00 2.12 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 170 D 8.91 4.93 0.00 2.97 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 0.00 171 A 7.84 4.94 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 0.00 172 E 8.32 3.68 0.00 2.00 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 2.32 2.01 0.00 173 A 8.11 4.26 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 0.00 174 G 8.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.87 3.62 1.94 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 1.34 1.13 0.81 0.00 0.00 176 S 7.91 4.01 0.00 3.90 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 0.00 177 A 8.12 4.01 1.50 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 0.00 0.00 178 I 7.40 2.88 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.04 0.57 0.00 0.00 179 K 8.01 4.14 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 180 S 8.37 4.14 0.00 3.65 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 0.00 181 A 7.98 4.62 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.41 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *184 F 7.70 4.01 0.00 2.80 3.21 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 0.00 185 A 7.89 4.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 8.45 4.23 1.90 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 0.91 0.00 0.00 0.63 0.00 0.00 187 G 8.89 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 0.00 188 V 7.63 5.60 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 0.87 0.00 0.00 0.96 0.00 0.00 *196 G 8.02 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.55 4.76 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 D 8.09 4.67 0.00 2.25 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 0.00 199 L 7.31 4.57 0.00 1.89 1.38 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 200 V 8.43 4.87 2.08 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 0.91 0.00 0.00 0.91 0.00 0.00 201 V 8.47 4.47 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 0.78 0.00 0.00 0.98 0.00 0.00 202 R 8.89 3.87 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 203 Q 8.23 4.72 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 204 T 8.57 4.03 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 1.30 0.00 0.00 205 S 8.02 4.23 0.00 4.01 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 0.00 206 D 8.21 4.45 0.00 2.79 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 0.00 207 L 7.80 4.32 0.00 1.85 1.71 1.01 0.72 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 0.00 208 T 7.96 4.68 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 209 L 8.30 3.99 0.00 1.75 1.83 0.69 0.84 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 0.00 210 E 8.08 3.99 0.00 2.23 2.23 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 2.38 2.33 0.00 211 L 8.24 3.98 0.00 1.80 1.75 0.97 0.83 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 0.00 212 L 7.97 4.06 0.00 2.10 1.65 1.04 1.09 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 0.00 213 H 8.64 4.29 0.00 3.45 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.46 3.93 0.00 2.29 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 2.41 0.00 215 E 8.63 4.04 0.00 2.27 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 2.54 2.59 0.00 216 W 8.36 3.15 0.00 2.97 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 8.73 3.69 0.00 2.12 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 2.74 2.57 0.00 218 Q 8.01 3.91 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 219 Y 7.96 4.20 0.00 2.74 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 0.00 220 R 6.94 3.52 0.00 1.90 1.83 0.00 3.33 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 221 I 7.18 4.01 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 1.26 0.61 0.82 0.00 0.00 222 R 7.15 4.22 0.00 1.95 1.81 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 223 E 8.42 4.30 0.00 1.69 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.