NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2214 8.2649 123.5859 51.6559 19.7977 176.6669 3 R 4.1704 8.3981 121.0598 55.6975 29.2943 175.1278 4 I 3.8915 8.8059 126.1523 63.3262 38.6414 175.9299 5 A 4.6895 7.4984 120.8177 50.4338 23.5201 180.5014 6 G 3.2644 8.3430 105.4816 45.4962 0.0000 176.3474 7 V 4.5192 8.6512 119.9279 62.5885 33.0091 173.5964 8 E 4.7089 8.6567 117.7461 54.2566 31.5473 175.9564 9 I 4.5978 8.0627 123.4785 58.9047 39.0781 173.1734 10 P 4.6760 0.0000 0.0000 62.6003 32.1466 175.3710 11 R 4.5321 8.2125 116.4350 55.5394 34.3873 176.6597 12 N 4.0018 7.6382 114.6609 54.8894 35.3370 173.6701 13 K 4.6401 8.0633 118.0562 54.7106 36.9349 175.5899 14 R 5.1523 8.1974 115.1154 55.0275 30.8255 177.7803 15 V 3.4715 8.5239 116.2007 64.7364 31.3949 178.2024 16 D 4.3982 8.1224 117.1008 56.0863 39.0633 177.9275 17 V 3.9272 8.2986 118.9656 64.9372 31.8763 176.4976 18 A 3.4932 8.3262 118.0454 54.7002 17.5698 179.8722 19 L 3.8279 7.4386 118.3633 57.3253 42.5388 178.7154 20 T 4.3040 7.4793 113.9338 66.5809 68.5720 175.8104 21 Y 4.8335 9.0517 116.5349 58.3355 37.4540 175.4591 22 I 5.6064 8.0122 120.3466 58.5195 40.4848 174.5080 23 Y 4.0787 8.7745 125.4932 60.0115 38.6131 175.6384 24 G 3.7552 8.4282 116.2090 45.2361 0.0000 172.8337 25 I 4.1670 7.8283 121.2840 59.6455 38.2106 174.1587 26 G 4.5398 8.0001 119.1580 44.9936 0.0000 173.9692 27 K 3.8046 8.6030 118.6269 59.8132 32.3960 178.4388 28 A 4.0711 8.1559 120.9515 54.3191 17.9154 178.8464 29 R 4.0872 7.9902 119.8243 58.6486 30.8268 178.5846 30 A 4.2037 7.4806 120.7057 55.2137 17.6482 179.4448 31 K 4.1825 8.1098 115.1186 58.0485 32.0731 178.6149 32 E 4.3002 8.2439 118.8892 56.9995 31.0307 176.1229 33 A 4.7472 7.6916 121.3386 50.2920 18.2484 175.1969 34 L 5.0787 7.3512 119.6722 55.7384 49.5219 177.7772 35 E 4.2010 7.5431 112.5027 57.1910 30.1181 177.2599 36 K 4.2294 7.6624 117.0110 56.6166 34.5217 177.2085 37 T 3.8445 7.5566 108.8577 63.7890 69.4954 174.1245 38 G 3.8962 9.0673 114.0830 44.8914 0.0000 172.0748 39 I 4.3612 7.1365 122.4769 60.2274 41.5996 174.2113 40 N 4.6186 8.5602 122.1020 51.9514 38.8743 173.7289 41 P 4.1715 0.0000 0.0000 65.8172 31.4584 177.6385 42 A 4.0972 8.1601 118.5248 53.7555 18.7233 177.1167 43 T 4.3076 7.7845 107.7518 60.4726 69.7945 175.0431 44 R 4.4851 8.2456 123.5493 56.0149 30.8553 177.6683 45 V 3.5711 8.4468 120.5436 64.4976 31.9188 177.8378 46 K 4.1004 7.7094 118.7036 59.8458 32.7119 176.7580 47 D 4.9228 8.1176 118.7736 49.4484 41.0793 175.4527 48 L 5.0066 8.5732 129.2211 54.8291 41.6149 173.7531 49 T 3.7767 7.5956 118.5997 63.2103 69.9395 174.8849 50 E 3.9664 8.9393 124.4053 59.5251 29.5675 179.6260 51 A 4.0800 7.9123 120.3444 54.9778 18.4654 179.0171 52 E 3.8579 8.2516 116.7648 59.7711 29.2147 179.5343 53 V 3.5756 7.4393 117.5679 66.2409 30.7737 177.9948 54 V 3.5786 7.3377 116.2935 66.0980 31.3270 177.7729 55 R 4.5989 8.7098 118.7500 59.8519 29.7340 177.4352 56 L 4.1569 8.2401 121.0094 57.0009 42.1093 178.1930 57 R 3.9183 9.4364 119.0259 60.3629 30.1663 177.9236 58 E 3.8751 9.7012 117.7937 59.9147 29.3374 178.2856 59 Y 3.9640 8.1899 118.3409 61.9936 38.2566 178.6282 60 V 3.1511 8.4429 115.8800 67.1697 31.3198 177.5695 61 E 3.9591 8.2382 121.1536 59.5654 30.0715 178.6629 62 N 4.3135 8.3479 115.6767 57.4702 39.1715 175.8780 63 T 2.9480 7.6667 111.7355 65.7939 69.6653 177.7400 64 W 4.8189 4.9900 122.3605 55.9877 28.0137 180.1615 65 K 4.2222 8.9792 115.5487 57.3166 32.2154 172.2053 66 L 3.8087 8.1800 128.9844 55.4880 38.5348 173.2673 67 E 4.1414 8.7072 124.6107 53.5393 33.5564 181.3644 68 G 3.7149 10.3311 114.8570 45.7933 0.0000 174.9591 69 E 5.5315 9.4202 114.5082 53.3206 30.8047 175.0662 70 L 4.0532 8.5115 124.9114 57.6320 41.7934 178.8097 71 R 4.0262 8.2182 120.0486 59.5669 30.2941 177.9720 72 A 4.1664 9.1767 121.3789 54.5785 18.4624 179.0648 73 E 3.9201 8.6631 118.3155 59.8881 29.6498 179.3280 74 V 3.4891 7.6711 117.6548 66.7355 31.8750 176.6802 75 A 3.8890 8.1803 118.5987 55.0125 17.7134 180.2129 76 A 3.7543 7.2632 115.9565 54.3759 19.6068 178.9130 77 N 4.2086 8.0038 114.7609 56.9432 38.4963 177.4342 78 I 3.6333 7.3405 119.5367 64.4108 37.5514 178.1767 79 K 4.0108 8.2790 119.4761 59.7674 31.9363 179.0168 80 R 3.9132 9.4128 118.6527 59.7356 29.7707 178.4009 81 L 3.9724 8.2810 118.7717 57.7597 41.2725 179.1244 82 M 3.8883 8.6967 118.4137 56.5461 32.4458 178.5573 83 D 4.0529 8.2018 108.6917 52.5363 43.0462 178.0686 84 I 4.0016 8.6863 119.3534 61.5508 37.8773 175.2586 85 G 4.2147 9.9154 110.9606 45.4646 0.0000 174.6121 86 C 4.1289 8.6497 114.2586 58.7796 31.6080 171.7159 87 Y 4.0812 8.8482 120.6032 61.9855 37.9954 178.6168 88 R 3.8947 8.2357 120.8345 59.1624 28.9435 178.7401 89 G 3.8537 7.4093 105.7379 48.9021 0.0000 173.9309 90 L 4.3634 7.9635 123.4703 54.5479 43.9527 176.7789 91 R 4.1173 8.6089 123.0507 59.0815 28.8584 178.3239 92 H 3.8601 7.8667 113.7564 58.7995 29.1620 178.1597 93 R 3.8639 7.4176 116.5221 59.1656 29.8526 177.5501 94 R 4.2579 8.0108 114.3178 55.1882 30.1356 175.6383 95 G 4.0097 7.3953 103.6613 47.1160 0.0000 173.5736 96 L 4.7625 8.3546 118.1882 51.0927 44.8415 175.1790 97 P 4.0715 0.0000 0.0000 63.4250 31.0895 176.1102 98 V 4.2378 8.2174 122.8714 61.3001 32.6486 175.5999 99 R 4.4276 8.3288 127.3755 57.7458 31.2393 176.8109 100 G 3.7851 7.9124 98.4805 46.9689 0.0000 170.9279 101 Q 4.3987 7.9343 128.3642 54.6498 32.2884 175.6823 102 R 4.4419 8.2519 117.0217 55.3450 29.0526 176.9433 103 T 3.9712 8.2026 113.3229 64.0488 69.3246 176.2718 104 R 4.0213 8.2033 122.2051 59.1425 30.4131 176.2892 105 T 4.1887 7.2519 104.7624 62.3946 69.8326 179.1921 106 N 4.6173 8.4138 119.1128 53.4437 38.7650 176.0013 107 A 3.7969 8.9694 128.8690 53.8132 15.9309 179.6747 108 R 4.0294 7.8931 116.9572 59.6940 30.2894 178.2513 109 T 4.0920 7.8634 114.2061 65.6778 68.7252 175.5383 110 R 4.3648 7.7554 118.0306 56.6095 31.4113 176.8504 111 K 4.2266 8.0101 117.1920 55.2737 32.7386 176.9648 112 G 3.5182 8.5577 110.7327 45.9417 0.0000 170.9503 113 P 3.7020 0.0000 0.0000 63.4718 31.1352 175.0377 114 R 4.1564 8.3494 121.3073 55.2916 29.0284 177.1248 115 K 4.4539 8.5148 125.4749 58.1059 31.0499 177.8033 116 T 2.9642 7.6172 109.5346 63.5932 69.1686 173.0182 117 V 3.4148 8.9121 128.7828 62.1389 33.3580 170.3552 118 A 4.2533 7.4189 125.6382 52.6650 21.8006 174.2899 119 G 3.9780 7.6967 102.8927 46.8441 0.0000 173.3425 120 K 4.2384 7.9416 120.3696 55.5156 33.4380 176.8792 121 K 4.7313 8.2418 119.5344 54.5522 35.9654 175.9550 122 K 4.5483 8.3440 119.9229 53.9813 34.9235 176.2590 123 A 4.0800 8.6333 126.5919 51.9381 18.9490 175.6644 124 P 4.3466 0.0000 0.0000 66.0341 32.2586 178.2755 125 R 4.1089 7.7289 119.9105 56.0513 27.7499 177.3702 *126 K 4.1215 7.6997 122.4026 54.7669 32.4047 177.3905 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 2 A 8.26 4.22 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 3 R 8.40 4.17 0.00 1.91 1.97 0.00 3.27 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 4 I 8.81 3.89 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.97 0.00 0.00 5 A 7.50 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.34 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 0.00 0.00 0.00 7 V 8.65 4.52 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 0.88 0.00 0.00 0.94 0.00 0.00 8 E 8.66 4.71 0.00 2.08 1.89 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 2.27 2.28 0.00 9 I 8.06 4.60 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.46 0.97 0.00 0.00 10 P 0.00 4.68 0.00 2.11 2.07 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 11 R 8.21 4.53 0.00 1.87 1.84 0.00 3.16 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 N 7.64 4.00 0.00 2.78 3.07 0.00 0.00 6.62 7.61 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 13 K 8.06 4.64 0.00 1.72 1.59 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 14 R 8.20 5.15 0.00 2.30 2.03 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 V 8.52 3.47 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 0.97 0.00 0.00 0.97 0.00 0.00 16 D 8.12 4.40 0.00 2.81 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 17 V 8.30 3.93 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 0.87 0.00 0.00 0.88 0.00 0.00 18 A 8.33 3.49 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 19 L 7.44 3.83 0.00 1.69 1.78 1.01 0.98 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 20 T 7.48 4.30 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 1.32 0.00 0.00 21 Y 9.05 4.83 0.00 2.84 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 22 I 8.01 5.61 2.07 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 1.25 1.65 1.03 0.00 0.00 23 Y 8.77 4.08 0.00 3.01 2.87 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 24 G 8.43 3.76 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 0.00 0.00 0.00 25 I 7.83 4.17 2.00 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 1.38 0.95 1.00 0.00 0.00 26 G 8.00 4.54 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 27 K 8.60 3.80 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 28 A 8.16 4.07 1.24 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 0.00 0.00 0.00 29 R 7.99 4.09 0.00 1.63 1.98 0.00 2.68 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.37 0.00 30 A 7.48 4.20 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 31 K 8.11 4.18 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 E 8.24 4.30 0.00 2.30 2.46 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 2.52 2.74 0.00 33 A 7.69 4.75 1.58 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 0.00 0.00 0.00 34 L 7.35 5.08 0.00 1.81 1.62 0.93 1.09 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 35 E 7.54 4.20 0.00 2.06 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 2.43 2.21 0.00 36 K 7.66 4.23 0.00 0.79 1.15 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.26 7.81 37 T 7.56 3.84 4.16 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 0.98 0.00 0.00 38 G 9.07 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 39 I 7.14 4.36 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 1.45 0.36 0.90 0.00 0.00 40 N 8.56 4.62 0.00 2.78 2.70 0.00 0.00 6.99 7.71 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 41 P 0.00 4.17 0.00 2.07 2.12 0.00 3.74 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 2.03 2.11 0.00 42 A 8.16 4.10 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 43 T 7.78 4.31 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 1.24 0.00 0.00 44 R 8.25 4.49 0.00 2.02 1.88 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 45 V 8.45 3.57 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 0.78 0.00 0.00 0.96 0.00 0.00 46 K 7.71 4.10 0.00 1.87 2.08 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.37 7.81 47 D 8.12 4.92 0.00 2.76 2.69 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 48 L 8.57 5.01 0.00 2.00 1.72 0.92 0.78 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 49 T 7.60 3.78 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 1.26 0.00 0.00 50 E 8.94 3.97 0.00 1.97 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 2.40 2.33 0.00 51 A 7.91 4.08 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 52 E 8.25 3.86 0.00 2.21 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 0.00 2.40 2.39 0.00 53 V 7.44 3.58 2.27 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 1.01 0.00 0.00 0.94 0.00 0.00 54 V 7.34 3.58 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 0.94 0.00 0.00 1.05 0.00 0.00 55 R 8.71 4.60 0.00 1.86 2.05 0.00 3.12 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 L 8.24 4.16 0.00 1.98 1.78 0.99 1.13 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 57 R 9.44 3.92 0.00 1.76 2.15 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 58 E 9.70 3.88 0.00 2.26 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 2.43 2.49 0.00 59 Y 8.19 3.96 0.00 3.01 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 60 V 8.44 3.15 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 1.12 0.00 0.00 1.15 0.00 0.00 61 E 8.24 3.96 0.00 2.04 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 2.33 2.36 0.00 62 N 8.35 4.31 0.00 2.68 2.72 0.00 0.00 7.29 7.74 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 63 T 7.67 2.95 2.69 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 0.22 0.00 0.00 64 W 4.99 4.82 0.00 3.34 2.97 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 65 K 8.98 4.22 0.00 1.91 1.92 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.49 7.81 66 L 8.18 3.81 0.00 1.99 2.07 1.21 1.07 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 67 E 8.71 4.14 0.00 2.08 1.89 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 2.30 2.32 0.00 68 G 10.33 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 0.00 0.00 0.00 69 E 9.42 5.53 0.00 2.06 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 2.10 2.07 0.00 70 L 8.51 4.05 0.00 1.91 1.84 0.90 1.08 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 71 R 8.22 4.03 0.00 1.02 1.85 0.00 2.95 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 72 A 9.18 4.17 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 73 E 8.66 3.92 0.00 2.28 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 0.00 2.32 2.33 0.00 74 V 7.67 3.49 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 1.04 0.00 0.00 1.09 0.00 0.00 75 A 8.18 3.89 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 76 A 7.26 3.75 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 77 N 8.00 4.21 0.00 2.87 2.90 0.00 0.00 7.13 8.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.34 3.63 2.00 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 1.56 0.63 0.96 0.00 0.00 79 K 8.28 4.01 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 80 R 9.41 3.91 0.00 1.97 2.18 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 81 L 8.28 3.97 0.00 1.83 1.62 0.77 0.64 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 82 M 8.70 3.89 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 83 D 8.20 4.05 0.00 2.88 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 84 I 8.69 4.00 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.92 0.00 0.00 85 G 9.92 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 0.00 0.00 0.00 0.00 86 C 8.65 4.13 0.00 3.20 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 87 Y 8.85 4.08 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.24 3.89 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 89 G 7.41 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 90 L 7.96 4.36 0.00 1.58 1.52 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.61 4.12 0.00 1.88 2.06 0.00 3.07 0.00 0.00 2.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.00 92 H 7.87 3.86 0.00 3.46 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.42 3.86 0.00 1.64 1.97 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 94 R 8.01 4.26 0.00 1.71 1.88 0.00 3.42 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 95 G 7.40 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 96 L 8.35 4.76 0.00 1.47 1.53 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.07 0.00 2.17 2.09 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 98 V 8.22 4.24 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 0.72 0.00 0.00 0.94 0.00 0.00 99 R 8.33 4.43 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 100 G 7.91 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 0.00 101 Q 7.93 4.40 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 102 R 8.25 4.44 0.00 1.87 1.89 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 103 T 8.20 3.97 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 1.23 0.00 0.00 104 R 8.20 4.02 0.00 1.79 2.03 0.00 3.22 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 1.66 0.00 105 T 7.25 4.19 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 1.21 0.00 0.00 106 N 8.41 4.62 0.00 2.71 2.62 0.00 0.00 6.88 7.35 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 0.00 107 A 8.97 3.80 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 0.00 108 R 7.89 4.03 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 109 T 7.86 4.09 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 1.20 0.00 0.00 110 R 7.76 4.36 0.00 1.76 1.94 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 111 K 8.01 4.23 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 G 8.56 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.70 0.00 2.27 2.08 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 114 R 8.35 4.16 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 115 K 8.51 4.45 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.62 7.81 116 T 7.62 2.96 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 1.21 0.00 0.00 117 V 8.91 3.41 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 0.73 0.00 0.00 0.99 0.00 0.00 118 A 7.42 4.25 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 0.00 119 G 7.70 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 0.00 120 K 7.94 4.24 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 121 K 8.24 4.73 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.58 7.81 122 K 8.34 4.55 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 123 A 8.63 4.08 1.24 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 0.00 0.00 0.00 124 P 0.00 4.35 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 125 R 7.73 4.11 0.00 1.82 1.95 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *126 K 7.70 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.