NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5845 8.3293 117.6263 57.0234 28.6999 173.2746 11 P 4.5149 0.0000 0.0000 62.7380 32.5164 174.1646 12 L 5.0822 7.7538 122.2184 53.5081 45.2400 176.2199 13 M 4.9234 9.1133 125.2860 53.7157 36.2181 173.7570 14 V 4.8828 8.2247 123.7041 60.9218 34.9387 174.0729 15 K 4.9596 9.1482 128.2938 54.6074 35.6921 174.8175 16 V 4.7992 8.8658 126.5828 61.1177 34.6142 174.1551 17 L 5.0068 8.8286 126.8672 52.8879 46.0375 174.8291 18 D 5.1693 9.1771 121.2048 52.7432 42.5222 176.5861 19 A 4.3268 9.5152 128.5668 53.6221 18.5367 178.3380 20 V 3.9787 9.1756 115.3222 64.7501 32.1035 177.1281 21 R 4.2876 8.5732 115.5612 55.5688 31.1246 175.8618 22 G 3.8955 8.1992 105.5408 45.7527 0.0000 172.5412 23 S 4.8203 7.3688 111.7207 55.8119 67.1668 172.9755 24 P 4.5579 0.0000 0.0000 63.1462 31.5428 176.0753 25 A 4.3379 8.5991 124.1460 50.4233 19.2238 176.3567 26 I 4.2267 8.3672 122.2679 61.3216 39.0217 175.4900 27 N 4.1837 8.5498 122.3441 54.6584 37.8742 173.8443 28 V 4.1514 7.9046 116.6924 61.2954 33.1050 174.8592 29 A 4.5960 8.5321 129.7258 51.9036 20.0537 176.1974 30 V 4.7510 8.7249 121.2364 61.4228 35.0919 173.8040 31 H 5.1390 9.3005 124.9285 53.8422 31.8755 172.8624 32 V 4.8193 8.8563 123.1174 61.1362 33.9884 174.3716 33 F 5.5826 9.4872 125.6356 55.7329 43.2165 173.8145 34 R 4.7145 9.1194 121.6319 54.0497 32.7079 174.8723 35 K 3.8676 8.8520 128.2484 56.2466 32.7205 176.5049 36 A 4.3929 8.6609 130.4649 50.2436 20.6212 177.7509 37 A 3.8553 8.3844 122.2697 55.2958 18.3832 178.3165 38 D 4.5522 7.9010 113.0886 53.4136 39.4197 176.7338 39 D 4.1995 8.0098 117.5962 55.2045 39.2428 173.9868 40 T 4.2085 7.6953 110.3185 60.6922 71.0853 173.6978 41 W 5.0383 8.4411 122.4454 55.6062 30.3558 175.5113 42 E 4.8333 9.1397 125.3098 53.9389 31.0666 174.0108 43 P 4.4602 0.0000 0.0000 63.8515 31.4903 175.4201 44 F 4.8312 8.8940 123.9601 59.5569 41.9343 174.5609 45 A 4.4873 7.7355 116.7597 51.6248 22.2367 174.9991 46 S 4.5670 7.6553 112.9337 57.6977 66.0986 173.7065 47 G 3.9464 7.5228 104.8072 46.4034 0.0000 171.8455 48 K 5.2572 8.4833 118.2693 54.2243 35.6506 176.9242 49 T 4.2040 8.6937 114.9849 61.9862 70.1351 174.8269 50 S 4.7119 8.9195 118.8588 57.4223 64.7917 174.5646 51 E 3.9389 8.6783 118.9581 59.0202 29.1161 178.0422 52 S 4.4263 7.9931 112.0569 57.6871 63.5118 174.9571 53 G 3.8514 8.4321 109.7442 45.3731 0.0000 172.7551 54 E 5.0562 7.7322 118.2979 54.1635 33.1529 174.9071 55 L 4.8685 8.6648 123.9998 53.9725 43.4678 175.2558 56 H 4.9476 8.7576 123.0730 54.4147 32.3416 175.3687 57 G 3.9060 8.7396 104.7551 46.4330 0.0000 174.9195 58 L 3.9724 7.2667 120.9419 57.5132 41.6002 176.7549 59 T 4.4162 7.2741 109.7246 61.3605 70.4811 171.5174 60 T 4.7514 8.0206 111.9362 59.1674 71.6327 174.6930 61 E 4.0860 9.1410 124.0219 60.4715 29.6621 179.5153 62 E 4.1962 8.2713 113.1868 58.8187 29.9785 179.5566 63 E 4.2951 8.0988 119.1394 58.3918 30.3123 177.0912 64 F 5.0400 8.1192 122.8268 57.0833 37.7067 174.8780 65 V 3.9922 7.4560 116.7339 59.9313 32.9825 176.3068 66 E 4.1394 8.0076 120.1411 55.4379 29.8519 177.4600 67 G 3.8446 7.7304 109.2259 45.4291 0.0000 170.4942 68 I 4.7030 7.1208 119.7634 59.9666 38.9802 174.9910 69 Y 5.1244 8.7596 124.3373 55.8835 41.8206 174.4561 70 K 4.7426 9.0241 123.6394 54.5659 35.1933 174.7099 71 V 4.7746 9.1660 128.1063 61.4180 33.5464 173.9383 72 E 5.0202 9.6535 128.7117 54.7498 31.9037 174.9657 73 I 4.5054 8.8829 126.2916 59.5748 39.1085 175.6633 74 D 4.6200 8.8906 129.3636 53.5048 37.8979 176.5047 75 T 3.9065 7.7789 114.8146 63.9790 69.3604 176.4318 76 K 4.0917 7.7868 121.3593 59.7617 32.2463 178.9348 77 S 4.1658 8.3841 115.2491 61.5504 62.7986 176.1335 78 Y 3.9320 7.5625 120.9530 60.5872 38.5745 178.2314 79 W 4.4472 8.3281 122.2937 60.2354 29.1045 179.2857 80 K 4.0362 8.4526 123.5840 59.8368 30.9836 181.1052 81 A 4.2577 7.9940 120.5362 53.9080 18.3264 178.5768 82 L 4.4107 7.1439 114.6951 53.8490 42.2431 177.2428 83 G 3.9210 7.9598 107.0024 45.9752 0.0000 173.1915 84 I 4.4076 7.6761 119.7107 58.8593 39.0784 175.5446 85 S 4.2736 8.6743 120.1398 57.4333 62.4094 171.5983 86 P 4.6957 0.0000 0.0000 61.3436 33.3864 175.1056 87 F 4.0098 8.2669 121.2833 60.3991 39.7668 176.3024 88 H 4.4353 7.8625 115.6129 55.0407 29.9642 175.4491 89 E 4.0706 8.6647 122.2385 59.6609 29.5494 176.2341 90 H 4.9392 7.7275 110.2568 55.8318 31.5351 172.5088 91 A 4.3135 8.7613 120.5148 49.9884 21.1274 175.6440 92 E 5.0918 8.4867 120.8552 54.4627 33.0907 175.8501 93 V 4.4605 8.9945 123.4630 61.2321 34.5597 174.1192 94 V 5.1576 8.6481 128.0982 61.1220 33.6525 174.4299 95 F 5.1482 9.0272 121.5433 56.1369 41.6740 173.0714 96 T 4.8782 8.7151 116.6560 62.6368 69.5983 174.0593 97 A 4.6931 8.9612 128.5675 50.9716 20.5268 175.8139 98 N 5.1382 9.1919 119.8582 51.6478 41.9848 175.4643 99 D 4.6459 9.9993 127.2225 53.9927 39.4127 176.1378 100 S 4.5232 7.9668 119.2427 56.1640 62.6857 175.1551 101 G 4.0074 8.1396 115.8491 43.5623 0.0000 168.4610 102 P 4.5184 0.0000 0.0000 62.6583 32.3194 176.2794 103 R 5.0728 8.6695 125.1017 55.3334 34.2600 175.0772 104 R 4.8055 9.1432 124.4535 55.2983 32.6197 171.5693 105 Y 4.9205 9.3223 121.7861 55.8744 40.3519 174.7594 106 T 4.9177 9.0271 121.6493 61.8324 71.4709 173.2597 107 I 4.6558 8.9029 128.2005 59.7799 39.0438 174.4976 108 A 5.3066 8.7916 129.2858 50.0444 21.8371 175.0422 109 A 5.1654 8.9980 122.6236 50.0693 23.1280 174.6037 110 L 5.0382 9.3164 124.3615 53.2497 44.7760 174.9255 111 L 5.4097 8.9678 126.4473 53.3421 44.2087 175.8070 112 S 5.1920 9.3159 118.4101 56.0580 67.1621 173.4263 113 P 3.2234 0.0000 0.0000 65.2336 31.0933 177.8374 114 Y 4.7419 7.9057 111.7700 57.3436 38.6775 174.9849 115 S 4.8037 8.0065 114.4276 57.2526 65.7306 172.2802 116 Y 5.5397 7.9072 122.1493 55.7973 41.3186 174.1865 117 S 4.8328 9.2234 115.8859 57.1823 67.0074 173.1027 118 T 5.1883 8.5718 117.1408 60.8073 70.6436 172.4458 119 T 4.8477 8.9595 120.4890 60.3414 71.6363 171.9271 120 A 5.1785 8.5552 126.2879 50.0198 21.8046 175.8149 121 V 4.2151 8.7206 122.0497 60.9909 34.0759 174.5123 122 V 4.7560 8.4350 128.1057 61.4115 33.2417 174.3019 123 T 4.6625 8.4315 117.8089 59.7375 72.6291 173.9626 124 N 5.2458 8.4445 118.5726 53.0804 39.0694 174.5050 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 *10 C 8.33 4.58 0.00 2.75 2.85 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 11 P 0.00 4.51 0.00 2.49 2.53 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.19 0.00 12 L 7.75 5.08 0.00 0.73 1.12 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.11 4.92 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 14 V 8.22 4.88 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 0.94 0.00 0.00 0.87 0.00 0.00 15 K 9.15 4.96 0.00 1.73 1.53 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.87 4.80 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 0.77 0.00 0.00 0.79 0.00 0.00 17 L 8.83 5.01 0.00 1.59 1.50 0.92 0.61 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 18 D 9.18 5.17 0.00 2.64 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 19 A 9.52 4.33 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 20 V 9.18 3.98 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 0.92 0.00 0.00 0.98 0.00 0.00 21 R 8.57 4.29 0.00 1.95 2.03 0.00 3.45 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 1.70 1.95 0.00 22 G 8.20 3.90 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 0.00 23 S 7.37 4.82 0.00 3.89 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 24 P 0.00 4.56 0.00 2.11 2.18 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 25 A 8.60 4.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.23 1.91 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 1.40 0.77 0.92 0.00 0.00 27 N 8.55 4.18 0.00 2.85 2.91 0.00 0.00 7.08 7.18 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 28 V 7.90 4.15 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 0.79 0.00 0.00 0.55 0.00 0.00 29 A 8.53 4.60 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.72 4.75 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 0.90 0.00 0.00 0.84 0.00 0.00 31 H 9.30 5.14 0.00 2.98 2.60 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.86 4.82 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 1.26 0.00 0.00 0.93 0.00 0.00 33 F 9.49 5.58 0.00 2.84 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 34 R 9.12 4.71 0.00 1.38 1.68 0.00 2.77 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 35 K 8.85 3.87 0.00 0.87 1.23 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.88 0.21 7.81 36 A 8.66 4.39 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 37 A 8.38 3.86 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 38 D 7.90 4.55 0.00 2.72 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 39 D 8.01 4.20 0.00 2.97 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 40 T 7.70 4.21 4.20 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 0.00 0.00 1.27 0.00 0.00 41 W 8.44 5.04 0.00 2.95 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 42 E 9.14 4.83 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 43 P 0.00 4.46 0.00 2.01 2.05 0.00 3.79 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 44 F 8.89 4.83 0.00 3.07 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 45 A 7.74 4.49 1.13 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 0.00 0.00 46 S 7.66 4.57 0.00 3.63 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 47 G 7.52 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.48 5.26 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.69 4.20 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 1.15 0.00 0.00 50 S 8.92 4.71 0.00 3.96 4.13 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 51 E 8.68 3.94 0.00 2.23 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 2.31 1.87 0.00 52 S 7.99 4.43 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.43 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 54 E 7.73 5.06 0.00 1.94 1.71 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 2.25 2.43 0.00 55 L 8.66 4.87 0.00 1.62 1.39 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.76 4.95 0.00 3.06 3.16 0.00 5.75 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 57 G 8.74 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.27 3.97 0.00 1.59 1.66 0.84 0.62 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 59 T 7.27 4.42 4.18 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 0.96 0.00 0.00 60 T 8.02 4.75 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 1.20 0.00 0.00 61 E 9.14 4.09 0.00 2.30 2.16 0.00 0.00 0.00 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 1.90 0.00 62 E 8.27 4.20 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 63 E 8.10 4.30 0.00 2.27 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 0.00 2.32 2.11 0.00 64 F 8.12 5.04 0.00 3.13 3.05 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 65 V 7.46 3.99 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 0.82 0.00 0.00 0.99 0.00 0.00 66 E 8.01 4.14 0.00 1.92 1.86 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 2.45 2.48 0.00 67 G 7.73 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 68 I 7.12 4.70 1.70 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 1.30 0.45 1.08 0.00 0.00 69 Y 8.76 5.12 0.00 1.81 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 70 K 9.02 4.74 0.00 0.79 0.75 0.00 0.64 0.00 0.00 1.31 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.92 7.81 71 V 9.17 4.77 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 1.01 0.00 0.00 1.13 0.00 0.00 72 E 9.65 5.02 0.00 2.02 1.76 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 2.10 2.26 0.00 73 I 8.88 4.51 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.73 0.76 0.00 0.00 74 D 8.89 4.62 0.00 2.79 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 75 T 7.78 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 76 K 7.79 4.09 0.00 2.29 1.91 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.54 7.81 77 S 8.38 4.17 0.00 4.05 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 78 Y 7.56 3.93 0.00 2.90 2.81 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 79 W 8.33 4.45 0.00 3.45 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 80 K 8.45 4.04 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 81 A 7.99 4.26 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.14 4.41 0.00 1.90 1.73 0.40 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.96 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 0.00 0.00 0.00 84 I 7.68 4.41 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.70 0.00 0.00 85 S 8.67 4.27 0.00 3.87 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 86 P 0.00 4.70 0.00 2.31 2.20 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 87 F 8.27 4.01 0.00 1.51 2.66 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 88 H 7.86 4.44 0.00 3.29 3.45 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.66 4.07 0.00 1.88 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 2.28 2.18 0.00 90 H 7.73 4.94 0.00 3.26 3.25 0.00 5.10 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 91 A 8.76 4.31 0.33 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.49 5.09 0.00 1.88 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 2.19 2.39 0.00 93 V 8.99 4.46 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 0.89 0.00 0.00 0.98 0.00 0.00 94 V 8.65 5.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.90 0.00 0.00 95 F 9.03 5.15 0.00 3.20 3.14 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 96 T 8.72 4.88 4.34 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 1.23 0.00 0.00 97 A 8.96 4.69 0.71 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 98 N 9.19 5.14 0.00 2.94 2.76 0.00 0.00 7.09 7.58 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 99 D 10.00 4.65 0.00 2.77 2.66 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 0.00 100 S 7.97 4.52 0.00 3.59 3.63 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 0.00 101 G 8.14 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 0.00 0.00 0.00 102 P 0.00 4.52 0.00 2.09 2.01 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 103 R 8.67 5.07 0.00 1.89 1.44 0.00 3.28 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 104 R 9.14 4.81 0.00 1.43 1.77 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 105 Y 9.32 4.92 0.00 2.96 2.80 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 0.00 106 T 9.03 4.92 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 1.17 0.00 0.00 107 I 8.90 4.66 1.81 0.00 0.00 0.48 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 0.94 0.88 0.00 0.00 108 A 8.79 5.31 1.20 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 0.00 0.00 0.00 0.00 0.00 109 A 9.00 5.17 1.15 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 0.00 110 L 9.32 5.04 0.00 1.74 1.58 1.01 0.59 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 0.00 111 L 8.97 5.41 0.00 1.75 1.94 0.43 0.91 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 0.00 112 S 9.32 5.19 0.00 3.94 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 0.00 113 P 0.00 3.22 0.00 2.13 1.87 0.00 3.35 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.69 0.00 114 Y 7.91 4.74 0.00 2.75 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 0.00 115 S 8.01 4.80 0.00 3.79 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 0.00 116 Y 7.91 5.54 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.22 4.83 0.00 3.82 3.77 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 0.00 118 T 8.57 5.19 4.41 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 1.35 0.00 0.00 119 T 8.96 4.85 4.25 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 1.20 0.00 0.00 120 A 8.56 5.18 1.13 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 0.00 0.00 121 V 8.72 4.22 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 0.88 0.00 0.00 0.90 0.00 0.00 122 V 8.43 4.76 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 0.40 0.00 0.00 0.72 0.00 0.00 123 T 8.43 4.66 4.20 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 0.00 0.00 1.17 0.00 0.00 124 N 8.44 5.25 0.00 2.93 2.70 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.