NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2023 8.1114 123.5690 52.3050 20.1735 178.1746 16 G 3.5315 7.8180 102.7103 49.1899 0.0000 172.9842 17 I 3.7080 7.8117 123.1715 63.4042 38.4763 176.0935 18 T 3.8941 6.9471 113.4392 62.9039 69.0474 175.1140 19 G 3.5312 7.0778 112.2909 45.2693 0.0000 170.8213 20 T 4.8000 7.5470 116.2532 61.5703 71.3263 173.8457 21 W 5.5619 8.6826 124.1623 55.2940 34.0276 173.8014 22 Y 5.9465 9.8198 119.2136 55.4522 42.2697 174.5971 23 N 5.6522 8.9500 118.9498 50.2843 40.2618 175.3094 24 Q 4.1323 8.6251 115.6897 58.5533 28.8417 176.9823 25 L 4.1684 8.0731 117.1181 55.5095 42.0983 177.4917 26 G 4.0334 8.3039 107.1980 45.0294 0.0000 173.9057 27 S 4.7059 8.5121 115.9406 58.6380 64.4702 173.2097 28 T 4.6773 9.0491 118.5309 61.6180 71.8427 172.9673 29 F 4.9455 8.7156 127.5807 56.3838 42.5110 173.4431 30 I 4.7782 8.5216 127.6140 59.3682 39.5403 175.1885 31 V 4.6847 8.3044 125.8359 60.0817 35.3059 174.3156 32 T 4.7801 8.7467 118.6333 61.6828 71.7538 172.8159 33 A 4.6491 8.4706 128.7191 50.3870 19.8168 177.4556 34 G 3.8246 9.1936 112.3046 45.0700 0.0000 174.3581 35 A 4.1479 8.5140 123.2986 54.1404 18.5548 178.1964 36 D 4.5555 8.0812 113.9726 53.2494 39.9499 177.3560 37 G 3.3733 8.4401 109.0799 44.8480 0.0000 173.3514 38 A 4.6222 8.0423 121.8831 51.5940 20.1216 176.5916 39 L 5.2975 9.0546 121.1001 53.1597 45.0160 175.9103 40 T 4.9733 8.7648 112.1299 59.7596 72.7144 174.4538 41 G 4.2078 7.3463 107.1990 46.1943 0.0000 171.3215 42 T 5.2741 7.5452 108.8454 60.1786 72.8419 172.2565 43 Y 5.0126 9.4699 124.4497 55.9466 42.0208 174.1308 44 E 5.0885 9.3177 126.3902 54.7381 32.0874 175.2437 45 S 4.9005 9.2899 119.4853 57.6234 63.4327 173.7549 46 A 4.5082 8.5590 128.9888 52.7550 19.4923 177.1725 47 V 4.3960 7.4550 107.3990 60.1068 35.7457 176.2846 48 G 3.4788 8.4408 107.5546 44.7895 0.0000 172.5641 49 N 4.5189 8.0635 114.4684 52.4889 37.9842 175.2418 50 A 4.8367 7.0972 121.6579 50.9477 21.4537 176.7691 51 E 4.6525 9.1977 113.5726 56.8867 32.7618 177.9206 52 S 3.7730 8.7973 118.9305 57.4216 61.9721 169.3474 53 R 5.0088 8.1673 114.8353 55.5336 31.4865 175.2442 54 Y 4.8844 8.9918 117.0976 55.9530 42.1100 175.3387 55 V 4.3411 8.6179 122.5091 62.9486 32.7419 174.9741 56 L 5.2156 8.7280 126.4785 54.5836 44.3382 175.0076 57 T 4.9243 8.5426 113.0067 61.5575 71.3782 173.0748 58 G 4.6805 8.7710 113.2034 46.2853 0.0000 171.8085 59 R 5.5846 8.8588 117.4210 55.0563 34.9369 174.0392 60 Y 5.2795 8.5646 118.1190 55.4798 42.0266 174.3877 61 D 4.3207 9.1731 120.7681 54.0972 40.8820 176.5823 62 S 4.3843 8.2294 120.5560 58.6020 63.9190 174.8360 63 A 4.6597 8.0170 123.4762 50.5935 19.1351 173.4284 64 P 5.0364 0.0000 0.0000 60.9077 32.6562 176.4416 65 A 3.8927 7.9198 122.9265 54.1193 18.2615 177.8277 *69 S 4.2253 8.0042 111.8706 57.0023 64.7625 174.1694 70 G 3.9902 8.4206 109.9650 46.4775 0.0000 172.6652 71 T 4.8597 8.7632 116.5590 61.4533 70.4699 174.6927 72 A 4.8314 8.7263 129.1218 52.2155 19.9596 175.9244 73 L 5.0505 8.9789 120.6119 55.5891 44.7085 173.9304 74 G 4.6421 9.2110 104.7834 45.5895 0.0000 172.2581 75 W 5.7782 8.5857 117.3131 55.6588 32.1831 173.4287 76 T 5.2450 9.1689 116.3681 61.8394 72.3940 173.3512 77 V 4.4382 8.4603 123.4415 60.9964 34.6415 173.8792 78 A 4.4341 8.3454 129.4578 49.6424 20.2983 177.9976 79 W 4.2247 8.3354 125.6709 55.1360 27.9085 176.0509 80 K 5.1969 7.8268 118.2919 54.7345 34.9168 174.5665 81 N 5.0693 9.0427 123.9045 51.8293 39.7018 174.2305 82 N 4.0355 8.6608 113.7060 55.6404 38.8869 175.1913 83 Y 4.5762 7.4913 114.6870 58.6972 39.9356 175.9852 84 R 4.7832 8.7620 116.8455 54.5650 34.4350 173.7449 85 N 5.2154 8.5501 117.0386 52.4705 40.9709 173.9086 86 A 4.3170 9.0767 128.6184 51.7539 20.2452 175.9628 87 H 4.1747 8.4756 113.3940 55.8158 26.7474 173.4766 88 S 5.1918 7.3839 111.6516 57.8079 66.7535 174.6980 89 A 4.8962 8.9312 121.3480 50.8286 22.9573 175.2332 90 T 4.9075 8.5046 117.3897 61.6807 72.0122 173.2816 91 T 4.9823 8.3360 115.2321 59.6091 71.7826 172.7474 92 W 4.9016 8.7733 125.3565 54.6889 32.0189 174.5817 93 S 4.9893 8.6304 119.1669 56.8702 64.8127 173.0775 94 G 4.6327 8.5782 113.2492 46.4544 0.0000 171.7691 95 Q 5.3084 8.4865 117.7244 54.8192 32.7212 173.5276 96 Y 5.0894 9.2163 122.8935 56.5752 40.9815 174.3736 97 V 4.2149 8.6507 126.1099 60.9336 34.3200 175.3575 98 G 3.9790 8.5455 115.3658 45.1831 0.0000 173.3472 99 G 3.8307 8.3987 105.0996 44.8789 0.0000 172.0619 100 A 4.0608 8.5584 123.1240 54.8322 18.3606 178.5388 101 E 4.4405 7.7810 116.3133 54.1763 29.0649 174.4281 102 A 4.5203 8.1284 128.5405 52.7501 19.9909 176.2396 103 R 5.4791 9.2404 119.8663 54.8425 35.5811 174.3645 104 I 4.9842 8.8427 122.4195 59.9101 40.0430 174.2297 105 N 5.4207 9.0827 125.9349 52.0760 40.5402 174.7086 106 T 5.2881 9.1690 112.9624 60.2203 73.1820 172.5716 107 Q 5.1356 9.0508 120.2373 53.8914 32.9307 174.7613 108 W 5.4876 8.3355 117.6816 54.8326 32.4916 173.7324 109 L 5.2602 8.7741 119.9511 52.9084 45.1453 175.3253 110 L 4.9700 9.1457 125.9141 53.8094 44.3433 174.8593 111 T 5.0477 8.8414 123.9886 62.0307 70.9202 173.9753 112 S 5.1820 8.6471 122.1912 56.6994 65.0213 174.3464 113 G 3.9392 8.7789 111.8302 46.4406 0.0000 173.0470 114 T 4.7757 8.2194 113.2704 59.6460 72.3825 173.1407 115 T 4.2374 8.0546 111.9253 60.8168 69.9654 175.4062 116 E 3.9750 8.7808 120.6558 59.6056 29.1196 179.5326 117 A 4.1360 8.0569 119.2045 54.2420 18.8479 178.1373 118 N 4.6158 7.8637 112.4614 53.1348 39.1908 176.6114 119 A 4.1337 8.0539 125.7063 54.1684 18.1867 179.7947 120 W 4.3367 8.1986 114.3406 58.2898 28.3083 176.6470 121 K 4.1538 6.7858 119.0389 56.1303 32.3440 176.9521 122 S 4.3562 7.6535 114.2541 60.1314 63.8762 173.2009 123 T 5.0410 7.5001 117.5660 61.8928 71.1034 173.4371 124 L 4.7564 8.8662 126.8400 53.5074 44.0088 176.0729 125 V 4.4609 7.8530 120.0544 60.3865 34.6535 174.9313 126 G 2.9065 6.6071 107.6052 45.6298 0.0000 171.1606 127 H 5.3199 7.9665 113.8779 54.0994 31.6380 172.6804 128 D 5.2188 9.2610 119.2957 53.0295 45.8202 174.4715 129 T 5.1743 9.0451 117.8038 61.9266 71.9959 172.8637 130 F 5.5447 9.6175 125.4645 56.1952 41.8624 174.7041 131 T 5.2149 9.5479 120.0249 61.7164 71.0730 173.5851 132 K 3.7911 8.2424 127.5073 55.7936 33.0853 177.0648 133 V 4.0550 8.1072 119.5690 61.4615 31.6120 175.5417 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 15 A 8.11 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 16 G 7.82 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.71 1.30 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.48 0.00 0.00 18 T 6.95 3.89 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 1.13 0.00 0.00 19 G 7.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 4.80 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 0.88 0.00 0.00 21 W 8.68 5.56 0.00 3.27 3.31 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 22 Y 9.82 5.95 0.00 3.00 2.95 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 23 N 8.95 5.65 0.00 2.30 1.76 0.00 0.00 6.50 7.44 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 24 Q 8.63 4.13 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.07 4.17 0.00 1.87 1.81 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.30 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 27 S 8.51 4.71 0.00 4.16 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 28 T 9.05 4.68 4.15 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 0.86 0.00 0.00 29 F 8.72 4.95 0.00 2.52 2.56 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 0.00 30 I 8.52 4.78 1.73 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 1.10 0.59 0.76 0.00 0.00 31 V 8.30 4.68 0.67 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 0.08 0.00 0.00 0.51 0.00 0.00 32 T 8.75 4.78 4.15 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 1.14 0.00 0.00 33 A 8.47 4.65 0.62 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 34 G 9.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.51 4.15 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 36 D 8.08 4.56 0.00 2.78 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 37 G 8.44 3.37 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 0.00 38 A 8.04 4.62 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 39 L 9.05 5.30 0.00 1.71 1.49 1.11 0.39 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 40 T 8.76 4.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 G 7.35 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 0.00 0.00 0.00 0.00 42 T 7.55 5.27 4.30 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 1.22 0.00 0.00 43 Y 9.47 5.01 0.00 3.02 2.96 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 44 E 9.32 5.09 0.00 1.90 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 2.30 2.24 0.00 45 S 9.29 4.90 0.00 4.26 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 46 A 8.56 4.51 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 47 V 7.45 4.40 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 0.72 0.00 0.00 0.83 0.00 0.00 48 G 8.44 3.48 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 0.00 49 N 8.06 4.52 0.00 2.62 2.67 0.00 0.00 6.72 7.96 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 50 A 7.10 4.84 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.20 4.65 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 52 S 8.80 3.77 0.00 3.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.17 5.01 0.00 2.07 2.06 0.00 3.13 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 54 Y 8.99 4.88 0.00 3.05 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 55 V 8.62 4.34 2.13 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.73 5.22 0.00 2.07 1.80 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.54 4.92 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 58 G 8.77 4.68 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 0.00 0.00 0.00 59 R 8.86 5.58 0.00 1.76 1.79 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.56 5.28 0.00 2.97 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 61 D 9.17 4.32 0.00 2.80 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 62 S 8.23 4.38 0.00 3.87 3.36 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 63 A 8.02 4.66 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 64 P 0.00 5.04 0.00 2.27 2.19 0.00 3.44 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 65 A 7.92 3.89 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 *69 S 8.00 4.23 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.42 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.76 4.86 4.57 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 1.49 0.00 0.00 72 A 8.73 4.83 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 73 L 8.98 5.05 0.00 2.10 1.96 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.21 4.64 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 0.00 75 W 8.59 5.78 0.00 3.51 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 76 T 9.17 5.25 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 1.14 0.00 0.00 77 V 8.46 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.80 0.00 0.00 78 A 8.35 4.43 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 79 W 8.34 4.22 0.00 3.32 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 80 K 7.83 5.20 0.00 1.88 1.75 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.52 7.81 81 N 9.04 5.07 0.00 2.82 2.66 0.00 0.00 6.58 6.48 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 82 N 8.66 4.04 0.00 2.07 2.41 0.00 0.00 6.63 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 83 Y 7.49 4.58 0.00 2.82 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 84 R 8.76 4.78 0.00 2.03 1.87 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 85 N 8.55 5.22 0.00 2.63 2.58 0.00 0.00 6.91 7.96 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 86 A 9.08 4.32 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 87 H 8.48 4.17 0.00 3.37 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.38 5.19 0.00 4.03 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 89 A 8.93 4.90 1.16 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 0.00 0.00 0.00 0.00 0.00 90 T 8.50 4.91 3.48 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 -0.58 0.00 0.00 91 T 8.34 4.98 4.15 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 1.14 0.00 0.00 92 W 8.77 4.90 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.63 4.99 0.00 3.82 3.65 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 94 G 8.58 4.63 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 0.00 0.00 0.00 95 Q 8.49 5.31 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.22 5.09 0.00 3.02 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 97 V 8.65 4.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 98 G 8.55 3.98 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 0.00 0.00 0.00 99 G 8.40 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 0.00 0.00 0.00 100 A 8.56 4.06 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 0.00 101 E 7.78 4.44 0.00 2.11 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 2.21 2.31 0.00 102 A 8.13 4.52 1.47 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 0.00 0.00 103 R 9.24 5.48 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 104 I 8.84 4.98 1.82 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.18 1.07 0.00 0.00 105 N 9.08 5.42 0.00 2.75 2.82 0.00 0.00 6.09 6.46 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 0.00 106 T 9.17 5.29 4.47 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 1.45 0.00 0.00 107 Q 9.05 5.14 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 108 W 8.34 5.49 0.00 2.72 2.43 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 0.00 109 L 8.77 5.26 0.00 1.52 1.53 0.88 0.31 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 0.00 110 L 9.15 4.97 0.00 1.61 1.68 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.84 5.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 112 S 8.65 5.18 0.00 3.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.78 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 0.00 114 T 8.22 4.78 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 1.16 0.00 0.00 115 T 8.05 4.24 4.24 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 0.00 0.00 1.20 0.00 0.00 116 E 8.78 3.97 0.00 2.02 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 0.00 2.41 2.34 0.00 117 A 8.06 4.14 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 0.00 118 N 7.86 4.62 0.00 2.64 2.65 0.00 0.00 6.74 8.45 0.00 0.00 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 8.05 4.13 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 0.00 120 W 8.20 4.34 0.00 3.63 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 6.79 4.15 0.00 1.24 0.74 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.78 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.84 0.83 7.81 122 S 7.65 4.36 0.00 4.11 4.09 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 0.00 123 T 7.50 5.04 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 124 L 8.87 4.76 0.00 1.80 1.71 0.97 0.46 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 0.00 125 V 7.85 4.46 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 0.55 0.00 0.00 0.74 0.00 0.00 126 G 6.61 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 0.00 0.00 0.00 127 H 7.97 5.32 0.00 3.16 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.26 5.22 0.00 3.03 2.35 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 0.00 129 T 9.05 5.17 4.31 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 1.39 0.00 0.00 130 F 9.62 5.54 0.00 3.11 3.31 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 0.00 131 T 9.55 5.21 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 132 K 8.24 3.79 0.00 0.79 1.22 0.00 1.12 0.00 0.00 1.36 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.78 0.21 7.81 133 V 8.11 4.06 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 0.93 0.00 0.00 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.