NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.4140 8.2393 120.8626 56.3328 31.3954 175.7362 12 T 4.1347 8.7307 116.1056 60.1407 71.0892 173.3162 13 P 4.2040 0.0000 0.0000 66.1237 31.7476 179.2292 14 Y 4.0078 8.1527 117.5219 61.0368 38.6789 178.2877 15 Q 4.0925 8.2677 118.6698 59.0083 28.8168 178.7903 16 I 3.6262 7.9231 120.9408 64.4390 37.1613 178.7347 17 V 2.8667 7.7756 118.8428 65.4774 31.2514 177.6952 18 A 4.0041 8.0668 120.9620 55.4372 18.1681 179.2595 19 D 4.2753 8.5150 117.4789 57.6762 40.7920 178.3727 20 H 3.9316 7.9415 118.5900 59.6910 29.6726 176.8546 21 Y 4.3416 7.9017 118.0301 60.9783 37.4781 178.5057 22 A 4.0302 8.2982 121.5324 55.1843 18.4926 179.5429 23 A 3.9030 8.0371 119.2998 55.3182 18.5092 179.8530 24 S 3.8723 8.2910 112.0102 61.4795 62.2628 175.8386 25 D 4.4479 8.2341 120.1300 56.6151 41.0199 177.4008 26 R 4.3807 7.4535 113.6424 55.0892 30.7468 175.7287 27 H 3.9100 7.5454 114.5274 57.6290 26.4246 176.4607 28 D 4.7490 7.8737 119.0716 51.4737 40.3895 173.4175 29 P 4.1414 0.0000 0.0000 64.9361 31.9636 178.6605 30 A 3.9868 8.1109 120.8513 55.1057 18.3525 178.6778 31 A 4.1129 7.5576 119.6912 52.1155 15.9129 176.4443 *34 A 4.3514 8.0276 123.4198 51.5437 20.9608 177.6718 35 D 4.9306 7.7703 112.6646 54.1464 42.4561 176.4070 36 I 4.3420 7.7106 120.5078 61.0929 37.7595 175.9483 37 A 4.2201 9.1703 129.5566 51.1098 19.0896 176.5251 38 P 4.1172 0.0000 0.0000 65.7213 31.5205 177.2929 39 A 4.5021 7.8698 118.0771 51.9318 18.9963 176.5636 40 I 3.9808 7.5868 119.3299 63.0996 39.3654 174.7288 41 E 4.8052 9.2637 127.9309 54.5150 32.4210 174.8771 42 W 5.0676 9.2888 135.0000 56.0501 33.2444 174.4483 43 T 5.0343 8.9195 125.9016 61.7954 69.7617 172.9992 44 E 4.5125 9.2240 135.0000 56.6014 31.3703 178.8776 *46 A 4.2082 8.8190 125.7913 53.3118 20.3034 177.8657 47 G 3.8393 8.0056 100.8809 46.2011 0.0000 173.4457 48 F 4.5292 7.9245 123.1003 56.4223 40.4157 174.2904 49 P 4.0878 0.0000 0.0000 66.1617 30.9717 176.8613 50 C 4.5071 7.9378 113.2682 59.5047 28.0203 172.9091 51 A 4.0866 7.7204 122.8916 51.8400 18.4660 178.0386 52 G 4.1338 7.2468 108.4834 43.8592 0.0000 171.8770 53 T 4.7745 7.4271 116.7863 61.7194 70.4105 173.7152 54 Y 4.9075 8.8871 124.5765 56.5294 40.1131 176.3891 55 R 5.4172 9.3343 121.0656 54.1899 31.6225 175.8756 56 S 4.6306 7.7589 111.4810 56.0479 66.6284 174.7909 57 A 3.8608 8.5650 124.9503 55.5287 18.0109 179.4740 58 D 4.2113 8.0649 115.7848 57.5948 41.2628 178.2339 59 E 3.9015 8.1370 118.8577 59.5060 29.5123 179.4557 60 I 3.0575 7.5230 119.6765 64.0277 37.0547 178.7496 61 V 3.5886 7.8153 119.2292 66.0604 30.3472 178.3933 62 R 3.8333 8.0430 117.8115 59.1370 29.8273 178.2474 63 N 4.5868 8.2374 113.3328 54.3690 39.2349 175.3891 64 V 3.9246 7.2326 117.5530 64.2261 33.5410 177.2952 65 F 4.0627 7.4374 116.0453 60.4355 39.2667 177.6645 66 R 3.8997 8.5087 118.7933 59.5399 29.8944 178.5344 67 R 3.9128 7.4111 115.3930 59.3049 30.1624 178.3620 68 L 4.2274 8.1143 118.9933 57.9562 41.4031 179.8221 69 G 3.7592 7.9511 104.2723 47.8800 0.0000 175.3009 70 E 4.1669 8.1561 120.0820 58.5729 29.8008 177.5136 71 E 4.3023 8.4470 116.8041 56.1115 31.3491 176.1893 72 W 5.4319 8.1767 118.4327 54.7703 33.2248 174.2926 73 D 4.6221 9.7539 124.1619 53.5054 42.1591 176.7267 74 G 3.8165 9.0798 114.7366 46.5318 0.0000 172.5317 75 Y 4.1311 8.4480 121.1110 58.0374 39.3428 175.3639 76 T 4.9414 8.6406 123.0917 61.7622 73.2234 172.5240 77 F 5.6320 9.1821 126.8353 56.4532 42.1180 174.3261 78 K 4.1357 8.2511 125.7751 54.0967 34.3805 175.1334 79 L 3.8156 7.8148 128.1405 54.9811 42.0860 175.7553 80 D 4.7916 9.2253 125.9834 55.3796 43.4440 176.2744 81 A 4.7093 7.5456 117.6254 50.3227 23.1396 175.2371 82 L 4.9439 8.2805 121.2506 54.0300 45.0292 174.9633 83 H 4.9790 9.4745 124.7788 54.2324 31.0448 173.5848 84 D 5.0754 9.0352 123.8115 52.7739 41.4294 175.8076 85 A 4.8132 8.7650 132.1674 51.6570 21.3602 178.4987 86 G 3.9241 8.8775 114.4060 47.5085 0.0000 176.4260 87 D 4.5151 9.3204 128.7644 55.9488 42.0309 175.3730 88 T 5.1316 7.7141 114.0228 60.4534 70.0439 173.3017 89 V 5.0711 8.9546 126.0663 61.3305 35.7241 173.9576 90 I 5.1093 9.0788 127.9182 59.6622 40.0698 174.8080 91 G 4.7018 9.4285 115.0798 44.5472 0.0000 172.5397 92 V 4.9248 8.4851 122.2554 60.9682 35.2601 174.5517 93 G 4.0699 8.4005 113.2657 46.8314 0.0000 172.0079 94 R 5.2942 7.9692 120.6612 54.6994 34.3035 174.5354 95 Y 5.6068 8.9511 120.8586 57.1032 40.6825 174.7965 96 S 4.1297 7.1767 115.1135 56.9691 67.0823 173.2302 97 G 4.3011 6.8300 108.3881 46.7245 0.0000 171.5583 98 T 5.4336 8.3772 116.7343 61.6098 71.7406 173.1604 99 Y 3.9069 9.3187 129.2745 57.3104 39.1224 176.4849 100 R 3.7683 8.0230 126.9891 59.3780 30.1173 178.5155 101 R 3.8200 7.0536 118.1077 58.4182 30.2779 176.8591 102 T 4.3175 7.8257 105.7861 60.6765 70.4572 175.4373 103 G 3.9382 8.5330 109.4266 45.3389 0.0000 173.0903 104 K 4.6525 7.9069 119.5142 55.3573 33.7597 176.5522 105 S 5.6403 8.7231 118.7565 57.4264 65.5199 172.6699 106 F 5.1661 8.7499 114.4222 55.6735 41.6634 172.8404 107 E 4.8101 8.6998 119.5430 54.9293 32.7193 173.6605 108 C 4.8551 9.1633 120.0441 57.5473 33.7665 173.0178 109 R 4.9788 8.5971 117.8671 55.9824 31.6752 176.1906 110 V 4.8067 8.4717 119.0848 60.5335 35.1060 172.9067 111 A 5.1596 9.0825 124.8376 50.4705 22.3620 174.6190 112 H 4.9913 9.2392 118.2569 53.8613 32.1684 172.9131 113 V 4.6308 8.2515 123.7440 61.0523 33.3124 174.4230 114 W 5.2841 9.3130 127.8728 54.8833 32.6261 174.6057 115 R 5.1171 9.2587 123.1785 54.6118 32.8230 173.9858 116 V 4.9904 8.8009 126.0402 61.1711 34.2252 174.3388 117 D 4.6545 8.9264 125.9963 53.4993 43.9667 175.2214 118 A 3.9266 9.7761 129.5444 53.4482 16.0198 177.7351 119 G 4.0010 8.4948 106.1359 46.3611 0.0000 173.9141 120 K 4.7666 7.8044 118.8970 54.0598 35.2849 175.4050 121 I 4.4404 8.9909 124.2926 61.8758 37.5887 176.8394 122 V 4.3711 9.2558 120.6173 61.7416 33.9418 175.2489 123 H 5.4639 8.1571 119.7643 54.4830 33.7467 171.6281 124 F 4.6205 8.8795 126.1176 56.2003 42.8736 172.8972 125 E 4.3592 7.6404 125.6132 54.2241 33.0409 173.4858 126 Q 4.3629 7.7066 127.9011 54.5272 30.8905 175.0323 127 F 4.6177 9.2427 124.4088 56.0500 41.9651 173.6149 128 T 5.1900 8.1952 116.8920 58.3655 71.5753 174.5847 129 D 4.7397 8.6789 123.4145 53.0779 38.8446 176.0414 130 T 4.0082 8.0539 115.0723 64.0557 69.0160 176.2142 131 L 3.9157 7.8896 122.8314 58.1280 42.0327 178.7495 132 L 4.2030 7.4822 116.9931 57.7203 41.6954 179.4141 133 V 2.9340 7.6485 117.7632 65.7342 31.2229 177.8730 134 A 3.8849 7.8857 119.3743 55.3323 18.2120 179.2356 135 Q 4.1073 8.1131 115.5958 58.7267 28.9729 179.4971 136 A 4.3450 7.5630 121.8760 50.8650 18.7610 177.3152 *138 Q 3.9901 7.6778 119.6054 56.3399 30.1644 174.1232 139 P 4.4357 0.0000 0.0000 63.0468 31.3199 176.1156 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 11 R 8.24 4.41 0.00 1.80 1.92 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 12 T 8.73 4.13 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 1.27 0.00 0.00 13 P 0.00 4.20 0.00 2.41 2.21 0.00 3.66 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 2.27 2.20 0.00 14 Y 8.15 4.01 0.00 3.01 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 15 Q 8.27 4.09 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 16 I 7.92 3.63 1.97 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 1.39 0.73 0.88 0.00 0.00 17 V 7.78 2.87 1.67 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 -0.17 0.00 0.00 0.47 0.00 0.00 18 A 8.07 4.00 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 19 D 8.52 4.28 0.00 2.78 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 20 H 7.94 3.93 0.00 3.03 2.93 0.00 5.79 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 21 Y 7.90 4.34 0.00 3.22 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 22 A 8.30 4.03 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 23 A 8.04 3.90 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 24 S 8.29 3.87 0.00 3.80 4.14 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 25 D 8.23 4.45 0.00 2.89 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 26 R 7.45 4.38 0.00 1.99 2.02 0.00 3.27 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 27 H 7.55 3.91 0.00 3.37 3.41 0.00 5.62 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.87 4.75 0.00 2.59 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 29 P 0.00 4.14 0.00 2.12 2.03 0.00 3.79 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 1.93 1.91 0.00 30 A 8.11 3.99 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 31 A 7.56 4.11 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 *34 A 8.03 4.35 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 35 D 7.77 4.93 0.00 2.60 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 36 I 7.71 4.34 1.90 0.00 0.00 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 1.35 0.76 0.99 0.00 0.00 37 A 9.17 4.22 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 38 P 0.00 4.12 0.00 2.07 2.17 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 39 A 7.87 4.50 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 40 I 7.59 3.98 2.12 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 1.46 1.43 1.00 0.00 0.00 41 E 9.26 4.81 0.00 1.86 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 2.24 2.41 0.00 42 W 9.29 5.07 0.00 3.55 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 43 T 8.92 5.03 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 1.08 0.00 0.00 44 E 9.22 4.51 0.00 2.26 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 2.76 2.80 0.00 *46 A 8.82 4.21 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 47 G 8.01 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 48 F 7.92 4.53 0.00 3.07 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 49 P 0.00 4.09 0.00 2.07 2.05 0.00 2.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.79 0.00 50 C 7.94 4.51 0.00 3.46 3.08 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 51 A 7.72 4.09 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 52 G 7.25 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 0.00 0.00 0.00 53 T 7.43 4.77 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 1.18 0.00 0.00 54 Y 8.89 4.91 0.00 2.97 2.79 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 55 R 9.33 5.42 0.00 1.77 1.91 0.00 3.16 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 56 S 7.76 4.63 0.00 4.00 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 57 A 8.56 3.86 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 58 D 8.06 4.21 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 59 E 8.14 3.90 0.00 2.29 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 2.40 2.38 0.00 60 I 7.52 3.06 1.58 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.62 -0.29 0.00 0.00 61 V 7.82 3.59 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 0.91 0.00 0.00 0.86 0.00 0.00 62 R 8.04 3.83 0.00 1.90 1.90 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 63 N 8.24 4.59 0.00 2.04 2.69 0.00 0.00 6.86 7.59 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 64 V 7.23 3.92 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 0.61 0.00 0.00 0.25 0.00 0.00 65 F 7.44 4.06 0.00 3.03 3.04 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 66 R 8.51 3.90 0.00 1.86 2.19 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 67 R 7.41 3.91 0.00 1.87 2.01 0.00 3.15 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 1.73 1.68 0.00 68 L 8.11 4.23 0.00 1.84 1.50 0.44 0.00 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 69 G 7.95 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 70 E 8.16 4.17 0.00 2.10 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 2.34 2.55 0.00 71 E 8.45 4.30 0.00 2.05 1.69 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 2.13 2.36 0.00 72 W 8.18 5.43 0.00 3.55 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 73 D 9.75 4.62 0.00 2.82 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 74 G 9.08 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 75 Y 8.45 4.13 0.00 3.17 3.03 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 76 T 8.64 4.94 4.17 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 1.23 0.00 0.00 77 F 9.18 5.63 0.00 3.46 3.27 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 78 K 8.25 4.14 0.00 1.50 1.44 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.21 7.81 79 L 7.81 3.82 0.00 1.21 1.29 0.68 0.99 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 80 D 9.23 4.79 0.00 2.62 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 81 A 7.55 4.71 1.12 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 0.00 0.00 82 L 8.28 4.94 0.00 1.51 1.54 1.07 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.47 4.98 0.00 3.14 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.04 5.08 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.81 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 86 G 8.88 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 87 D 9.32 4.52 0.00 2.76 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 88 T 7.71 5.13 4.29 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 1.31 0.00 0.00 89 V 8.95 5.07 2.17 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 1.04 0.00 0.00 1.04 0.00 0.00 90 I 9.08 5.11 2.00 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 1.17 0.45 0.95 0.00 0.00 91 G 9.43 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.49 4.92 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 0.93 0.00 0.00 0.99 0.00 0.00 93 G 8.40 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 0.00 0.00 0.00 0.00 94 R 7.97 5.29 0.00 1.61 1.71 0.00 3.21 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 95 Y 8.95 5.61 0.00 3.17 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 96 S 7.18 4.13 0.00 3.54 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 97 G 6.83 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 0.00 0.00 0.00 0.00 98 T 8.38 5.43 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 1.36 0.00 0.00 99 Y 9.32 3.91 0.00 2.46 2.65 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 0.00 100 R 8.02 3.77 0.00 1.36 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 101 R 7.05 3.82 0.00 1.35 1.65 0.00 3.17 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 102 T 7.83 4.32 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 1.36 0.00 0.00 103 G 8.53 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 0.00 104 K 7.91 4.65 0.00 2.09 1.84 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.44 7.81 105 S 8.72 5.64 0.00 3.97 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 0.00 106 F 8.75 5.17 0.00 3.18 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 0.00 107 E 8.70 4.81 0.00 1.81 1.77 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 2.16 2.35 0.00 108 C 9.16 4.86 0.00 3.16 3.27 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 0.00 109 R 8.60 4.98 0.00 1.79 1.88 0.00 3.44 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 110 V 8.47 4.81 1.64 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 0.04 0.00 0.00 0.69 0.00 0.00 111 A 9.08 5.16 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 0.00 112 H 9.24 4.99 0.00 3.23 2.46 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.25 4.63 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 1.04 0.00 0.00 0.82 0.00 0.00 114 W 9.31 5.28 0.00 3.37 3.07 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 0.00 115 R 9.26 5.12 0.00 1.90 1.82 0.00 3.07 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 116 V 8.80 4.99 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 0.91 0.00 0.00 0.98 0.00 0.00 117 D 8.93 4.65 0.00 2.76 2.48 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 0.00 118 A 9.78 3.93 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 0.00 119 G 8.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.77 0.00 1.91 1.79 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.54 7.81 121 I 8.99 4.44 2.05 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 1.28 0.75 1.34 0.00 0.00 122 V 9.26 4.37 2.17 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 0.82 0.00 0.00 1.07 0.00 0.00 123 H 8.16 5.46 0.00 3.19 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.88 4.62 0.00 1.96 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 0.00 0.00 0.00 0.00 125 E 7.64 4.36 0.00 1.76 1.44 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 1.47 1.69 0.00 126 Q 7.71 4.36 0.00 1.88 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.60 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 127 F 9.24 4.62 0.00 2.86 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 0.00 128 T 8.20 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 1.33 0.00 0.00 129 D 8.68 4.74 0.00 2.85 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 0.00 130 T 8.05 4.01 4.40 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 1.42 0.00 0.00 131 L 7.89 3.92 0.00 1.80 1.73 0.93 0.69 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 0.00 132 L 7.48 4.20 0.00 2.02 1.88 1.08 1.11 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 0.00 133 V 7.65 2.93 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 0.66 0.00 0.00 0.61 0.00 0.00 134 A 7.89 3.88 1.33 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 0.00 135 Q 8.11 4.11 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.61 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 136 A 7.56 4.35 1.59 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 0.00 0.00 *138 Q 7.68 3.99 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 139 P 0.00 4.44 0.00 2.04 1.99 0.00 3.70 0.00 0.00 3.69 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 * Residues marked with a * may have inaccurate shift predictions.