NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 3.9757 7.8827 121.4449 61.3164 39.4551 177.0636 6 S 4.0718 8.4038 114.1518 61.2292 62.0218 173.7286 7 D 4.5322 8.9145 118.6417 56.0855 42.1738 176.9520 8 F 4.6303 8.3644 117.6096 57.5644 39.0003 177.0627 9 Y 3.6442 7.8589 118.4762 61.2286 37.8263 178.0570 10 Q 4.2564 8.2937 119.9020 59.5279 29.0934 178.2868 11 T 3.9412 7.9421 116.3771 66.5020 68.5136 176.2379 12 F 4.2330 8.1514 122.2160 61.4827 39.4777 177.1847 13 F 4.0371 7.9194 117.3476 60.5594 38.6303 177.5468 14 D 4.3557 8.2925 118.4954 57.4491 40.7063 178.5514 15 E 3.9251 8.3886 119.0009 59.4486 29.4035 179.3706 16 A 3.8394 8.4233 121.7255 55.0747 18.3371 179.2204 17 D 4.2899 8.0982 117.3840 57.7442 40.8648 179.1324 18 E 3.9727 8.1410 118.8137 59.3568 29.2546 179.2939 19 L 4.0157 7.8154 117.9778 57.9190 41.7500 179.3589 20 L 4.1357 8.0606 117.9763 57.5396 41.8081 179.1022 21 A 4.1943 7.9708 120.8283 55.0549 18.3719 180.6137 22 D 4.6613 8.3180 117.2712 54.3485 40.8982 178.4770 *24 E 4.2392 8.1682 121.2048 56.4613 31.6417 177.6053 25 Q 4.0266 7.8271 117.1788 59.3111 28.4175 178.6054 26 H 4.3854 7.9204 116.2197 58.9466 28.9202 177.5234 27 L 4.1797 7.9123 120.2536 57.8715 41.3287 179.4288 28 L 4.0831 7.9448 117.7354 57.3517 41.6398 178.5353 29 D 4.5636 7.9088 117.2534 54.6472 41.4139 176.9399 30 L 4.0034 7.0456 120.3564 54.6643 42.4594 176.8445 31 V 4.1660 8.1765 122.5293 60.6957 31.8550 174.1879 32 P 4.2465 0.0000 0.0000 66.5324 31.2685 178.6410 33 E 4.2065 8.1702 112.0720 58.6957 29.9365 179.6074 34 S 4.7602 7.7043 111.7358 56.1023 63.7031 170.9351 35 P 4.2859 0.0000 0.0000 63.3106 32.1740 177.2524 36 D 4.4194 8.6815 121.6395 53.8674 42.4637 176.7040 37 A 3.9920 8.6653 128.7816 55.5303 18.4933 179.4838 38 E 3.8997 8.3033 116.4226 59.2787 29.5505 179.5534 39 Q 3.8570 7.9306 117.8612 59.0006 28.8867 178.3487 40 L 3.9802 7.8031 119.8993 57.9038 41.5512 179.4096 41 N 4.3217 8.4736 116.4228 56.2548 38.4580 177.3219 42 A 4.0140 7.9759 122.1940 55.1394 18.4338 179.8374 43 I 3.6485 7.8385 118.3572 64.4092 37.1920 178.4142 44 F 3.9349 8.5391 121.9233 61.2647 39.1362 177.1178 45 R 4.0760 8.6803 118.5874 59.2845 29.9214 178.3495 46 A 3.9683 8.0842 120.3751 55.1838 18.4385 179.4197 47 A 3.9056 7.9775 119.2858 55.5469 18.3911 179.3299 48 H 4.6919 8.3231 118.3948 59.0631 29.9078 177.7174 49 S 4.1492 8.3951 117.2217 61.7107 62.6844 176.7810 50 I 4.0042 7.7937 122.4099 64.2694 36.7876 178.2825 51 K 4.1015 8.3588 120.7381 59.4532 31.9737 179.0061 52 G 3.6239 8.0441 106.0537 47.8383 0.0000 175.9413 53 G 3.3243 8.2319 108.4480 47.0174 0.0000 175.4234 54 A 4.2298 8.6420 123.7471 55.1730 18.3055 180.0173 55 G 3.4890 8.2123 104.1379 47.8182 0.0000 175.9697 56 T 3.5478 7.3636 117.1094 66.0554 68.5316 175.9040 57 F 4.0913 7.5145 116.1968 56.3594 39.0306 176.1274 58 G 3.7932 7.1416 106.6894 47.0862 0.0000 175.9460 59 F 4.6948 7.8470 121.0849 55.5510 36.5938 175.6259 60 T 3.9460 8.1838 119.7936 66.8558 68.7480 175.5530 61 I 3.0241 7.7580 120.7748 64.1437 37.0932 178.1931 62 L 4.7038 8.0331 122.6983 57.5208 41.4413 178.7506 63 Q 4.0381 8.6366 120.0817 59.2509 29.0618 177.9359 64 E 4.1223 8.4449 120.3364 59.5637 29.5060 178.7658 65 T 4.0482 8.0736 115.1191 67.0562 68.6770 176.3999 66 T 4.0842 8.0298 110.3875 64.9110 69.0656 175.7324 67 H 4.4317 8.4758 121.0952 58.9366 29.9483 178.4819 68 L 4.3186 8.0215 120.2451 54.8049 41.4147 179.1650 *70 E 4.2275 8.1843 119.7701 56.6585 31.5190 178.0275 71 N 4.4075 8.3787 114.8548 56.5062 38.7265 176.9216 72 L 4.2261 8.1039 121.5304 58.0930 42.1623 178.8846 73 L 4.1684 8.1761 118.5951 58.0502 41.5429 179.0788 74 D 4.3695 8.8185 119.2199 57.3230 40.6875 178.6149 75 E 3.9689 8.0844 119.2204 59.2992 29.5159 179.2004 76 A 4.1257 7.9298 120.3745 55.0631 18.4946 179.7465 77 R 3.9358 8.0141 115.9559 59.1258 30.2185 178.7771 78 R 4.2222 8.2040 116.1771 56.2962 30.2905 177.5040 79 G 3.9448 7.5920 106.2440 46.1603 0.0000 173.2692 80 E 4.3613 7.8749 117.3643 56.4768 29.8519 176.4375 *82 Q 4.1244 7.9572 116.5604 55.6761 29.9812 175.5508 83 L 4.3590 8.3744 122.1983 54.7731 42.7549 176.0926 84 N 5.0522 8.2121 117.9821 50.7173 41.5991 175.4772 85 T 3.8947 8.4964 110.9850 65.2110 68.5431 175.9532 86 D 4.3389 8.1336 121.0580 57.3074 40.9241 178.7630 87 I 3.5866 8.6448 120.5765 64.2594 37.0879 178.6032 88 I 4.0579 7.9744 120.7845 64.4041 36.8093 178.2427 89 N 4.4533 8.5127 117.9596 55.9951 38.2560 177.2598 90 L 3.9621 7.8009 122.0195 58.0404 42.1563 179.0368 91 F 4.5103 8.1034 117.8250 60.6364 38.8746 177.6527 92 L 4.0927 8.2398 118.6712 57.8601 41.4387 179.2141 93 E 4.0435 8.6660 119.6105 59.4739 29.3005 179.0453 94 T 3.9652 7.9975 115.4692 66.4583 68.6136 176.1463 95 K 4.1152 7.9672 120.4600 59.6171 32.5059 178.2476 96 D 4.5823 8.2607 119.1118 57.2909 40.6848 179.7967 97 I 3.8910 7.7780 118.2051 61.7406 36.9696 177.8608 *99 Q 4.2111 8.0636 122.8428 56.2513 30.8702 177.0494 100 E 3.9366 8.1984 117.2566 59.2683 29.4058 179.4526 101 Q 3.6650 8.2088 118.3244 58.8764 28.7323 178.6977 102 L 4.1373 7.8049 119.4561 57.9338 41.6835 179.1767 103 D 4.0748 8.1422 118.6382 56.9782 40.6823 178.6245 104 A 3.7388 7.5695 121.0354 55.3773 18.4329 179.0710 105 Y 4.1090 7.1246 115.0179 61.2921 37.6840 179.0113 106 K 3.1090 7.4309 119.1360 58.7116 32.0925 177.4946 107 N 4.6691 7.4801 113.9440 51.8746 39.1596 174.9582 108 S 3.7542 7.8545 114.7304 60.0656 61.0575 171.9638 109 E 4.7420 8.2852 117.1730 54.2054 32.6398 176.0354 110 E 4.1553 8.4461 120.8352 54.9713 30.2765 175.5022 111 P 4.0886 0.0000 0.0000 62.1193 32.2248 176.0935 112 D 4.3354 8.4233 118.6061 54.2068 41.8647 176.7288 113 A 4.1248 8.7026 129.7289 55.2824 18.4923 178.8687 114 A 4.0219 7.9962 118.7601 55.5124 18.5058 179.9480 115 S 4.1947 9.0947 114.0899 61.4764 62.9113 176.4090 116 F 4.3880 8.2711 123.3521 61.7621 39.1370 177.1546 117 E 3.6169 8.4036 117.9163 59.2547 29.2471 178.7368 118 Y 3.9652 8.1940 119.6643 60.8138 38.8245 178.1188 119 I 3.2597 8.2208 119.8994 63.9529 38.0375 177.6485 120 C 3.9980 7.8761 117.7259 62.7664 27.8255 175.8288 121 N 4.2037 7.9474 117.8969 56.0508 37.9423 177.4097 122 A 3.7733 7.5794 122.1626 55.1198 18.4673 179.7633 123 L 3.8723 7.9735 117.7721 57.8470 41.6257 180.0237 124 R 3.9128 8.0843 118.2046 59.0845 29.9675 178.9523 125 Q 3.9131 8.1421 117.9640 59.0579 28.7018 178.9603 126 L 3.9085 7.5822 119.6145 57.6787 41.5751 179.3580 127 A 3.9818 7.7579 120.0387 55.4262 18.3728 179.6583 128 L 3.9043 7.8828 117.1837 57.7940 41.6660 179.5749 129 E 3.8624 8.1192 119.0793 59.3162 29.4161 178.8205 130 A 4.0274 8.0984 119.8480 55.0777 18.4855 179.4581 131 K 4.2155 8.2559 116.6127 59.2350 32.2146 179.5162 132 G 3.8046 8.5189 108.4099 48.2370 0.0000 174.4853 133 E 4.3201 7.9827 123.9675 58.1711 29.8963 178.7058 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 5 I 7.88 3.98 1.64 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.19 0.33 0.00 0.00 6 S 8.40 4.07 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.91 4.53 0.00 2.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.36 4.63 0.00 3.24 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 9 Y 7.86 3.64 0.00 3.11 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 10 Q 8.29 4.26 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 11 T 7.94 3.94 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 1.36 0.00 0.00 12 F 8.15 4.23 0.00 3.08 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.92 4.04 0.00 3.18 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 14 D 8.29 4.36 0.00 2.93 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 15 E 8.39 3.93 0.00 2.17 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 2.37 2.52 0.00 16 A 8.42 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.10 4.29 0.00 2.95 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 18 E 8.14 3.97 0.00 2.14 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 2.52 2.50 0.00 19 L 7.82 4.02 0.00 1.76 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.06 4.14 0.00 1.75 1.73 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.97 4.19 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 22 D 8.32 4.66 0.00 2.88 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 *24 E 8.17 4.24 0.00 2.04 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 2.28 2.36 0.00 25 Q 7.83 4.03 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 26 H 7.92 4.39 0.00 3.15 3.33 0.00 5.66 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 27 L 7.91 4.18 0.00 1.92 1.79 0.98 0.63 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 28 L 7.94 4.08 0.00 1.78 1.75 0.93 0.91 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 29 D 7.91 4.56 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 30 L 7.05 4.00 0.00 1.78 1.65 0.96 0.83 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 31 V 8.18 4.17 2.25 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 1.04 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.25 0.00 2.09 2.16 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 33 E 8.17 4.21 0.00 1.98 1.87 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 2.23 1.87 0.00 34 S 7.70 4.76 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.29 0.00 2.22 2.15 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 36 D 8.68 4.42 0.00 2.77 2.59 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 37 A 8.67 3.99 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 38 E 8.30 3.90 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 2.39 2.39 0.00 39 Q 7.93 3.86 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 40 L 7.80 3.98 0.00 1.86 1.70 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.47 4.32 0.00 2.85 2.85 0.00 0.00 6.89 8.78 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 42 A 7.98 4.01 1.22 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 0.00 0.00 43 I 7.84 3.65 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.76 0.00 0.00 44 F 8.54 3.93 0.00 3.11 3.17 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 45 R 8.68 4.08 0.00 2.10 2.12 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 46 A 8.08 3.97 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 47 A 7.98 3.91 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 48 H 8.32 4.69 0.00 3.02 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.40 4.15 0.00 4.08 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 50 I 7.79 4.00 2.07 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 1.44 0.68 1.10 0.00 0.00 51 K 8.36 4.10 0.00 1.92 1.91 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.65 7.81 52 G 8.04 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.64 4.23 1.65 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 55 G 8.21 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.36 3.55 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 0.50 0.00 0.00 57 F 7.51 4.09 0.00 1.51 1.78 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 58 G 7.14 3.79 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 0.00 0.00 0.00 59 F 7.85 4.69 0.00 3.05 2.61 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 60 T 8.18 3.95 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 1.26 0.00 0.00 61 I 7.76 3.02 1.73 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.16 0.41 0.00 0.00 62 L 8.03 4.70 0.00 2.10 2.14 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.64 4.04 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 64 E 8.44 4.12 0.00 2.31 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 2.53 2.49 0.00 65 T 8.07 4.05 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 1.35 0.00 0.00 66 T 8.03 4.08 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 1.41 0.00 0.00 67 H 8.48 4.43 0.00 3.38 3.57 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.32 0.00 1.90 1.65 0.89 0.74 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 *70 E 8.18 4.23 0.00 2.34 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 0.00 1.47 2.26 0.00 71 N 8.38 4.41 0.00 2.92 2.93 0.00 0.00 7.05 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.10 4.23 0.00 1.87 1.94 0.95 0.44 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 73 L 8.18 4.17 0.00 2.10 1.84 0.79 0.41 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 74 D 8.82 4.37 0.00 3.03 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.08 3.97 0.00 2.21 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 2.56 2.51 0.00 76 A 7.93 4.13 1.46 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 0.00 0.00 0.00 77 R 8.01 3.94 0.00 1.72 1.92 0.00 3.14 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 78 R 8.20 4.22 0.00 1.80 1.97 0.00 3.28 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 79 G 7.59 3.94 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 0.00 0.00 0.00 80 E 7.87 4.36 0.00 2.14 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 2.31 2.28 0.00 *82 Q 7.96 4.12 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 83 L 8.37 4.36 0.00 1.86 1.67 1.03 1.20 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 84 N 8.21 5.05 0.00 2.94 2.88 0.00 0.00 5.80 7.22 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 85 T 8.50 3.89 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 1.23 0.00 0.00 86 D 8.13 4.34 0.00 2.92 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 87 I 8.64 3.59 1.94 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 1.40 1.04 0.55 0.00 0.00 88 I 7.97 4.06 2.07 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 1.70 1.17 1.01 0.00 0.00 89 N 8.51 4.45 0.00 2.88 2.88 0.00 0.00 6.58 6.58 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 90 L 7.80 3.96 0.00 1.66 1.53 0.87 0.82 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 91 F 8.10 4.51 0.00 3.39 2.98 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 92 L 8.24 4.09 0.00 1.93 1.77 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.67 4.04 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 94 T 8.00 3.97 4.56 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 1.32 0.00 0.00 95 K 7.97 4.12 0.00 1.82 2.08 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.66 7.81 96 D 8.26 4.58 0.00 2.98 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 97 I 7.78 3.89 2.10 0.00 0.00 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 1.47 0.80 1.02 0.00 0.00 *99 Q 8.06 4.21 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 100 E 8.20 3.94 0.00 2.17 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 2.47 2.47 0.00 101 Q 8.21 3.67 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 102 L 7.80 4.14 0.00 1.83 1.69 0.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.14 4.07 0.00 2.71 2.57 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 0.00 104 A 7.57 3.74 1.08 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 0.00 0.00 105 Y 7.12 4.11 0.00 2.86 2.57 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 0.00 106 K 7.43 3.11 0.00 0.97 1.61 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.14 0.76 7.81 107 N 7.48 4.67 0.00 2.62 2.85 0.00 0.00 7.13 7.73 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 0.00 108 S 7.85 3.75 0.00 3.98 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 0.00 109 E 8.29 4.74 0.00 1.88 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 2.17 2.36 0.00 110 E 8.45 4.16 0.00 1.91 1.83 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 2.30 2.23 0.00 111 P 0.00 4.09 0.00 1.91 1.50 0.00 3.60 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.38 0.00 112 D 8.42 4.34 0.00 2.77 2.61 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 0.00 113 A 8.70 4.12 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 0.00 114 A 8.00 4.02 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 0.00 115 S 9.09 4.19 0.00 3.91 4.02 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 0.00 116 F 8.27 4.39 0.00 3.14 3.35 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 0.00 117 E 8.40 3.62 0.00 2.08 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 2.59 0.00 118 Y 8.19 3.97 0.00 3.01 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 0.00 119 I 8.22 3.26 2.10 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 1.59 1.29 1.02 0.00 0.00 120 C 7.88 4.00 0.00 2.66 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 0.00 121 N 7.95 4.20 0.00 2.79 2.74 0.00 0.00 6.92 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.58 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.97 3.87 0.00 1.62 1.71 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.08 3.91 0.00 2.02 1.92 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 125 Q 8.14 3.91 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 126 L 7.58 3.91 0.00 1.55 1.65 0.76 0.94 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 0.00 127 A 7.76 3.98 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 0.00 128 L 7.88 3.90 0.00 1.70 1.73 0.90 0.87 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 0.00 129 E 8.12 3.86 0.00 2.20 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 0.00 2.29 2.31 0.00 130 A 8.10 4.03 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 0.00 131 K 8.26 4.22 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.69 7.81 132 G 8.52 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.98 4.32 0.00 2.11 1.74 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 2.26 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.