NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6044 8.4293 117.3736 54.2748 30.0604 172.6146 *2 I 4.1337 7.3007 114.3622 61.2488 39.8851 175.1218 3 V 4.8977 8.4530 123.1480 61.2330 34.0723 173.6554 4 E 5.0404 9.3400 129.8506 54.8935 31.0313 174.3980 5 E 4.8486 8.8868 128.2130 54.6295 32.0080 174.4885 6 R 5.0928 8.9813 126.2150 54.4950 33.6159 175.2652 7 I 4.9334 8.8713 123.1462 60.0733 41.0144 173.8080 8 Y 5.3717 9.1167 125.5564 56.2261 41.1292 174.9325 9 R 4.9297 9.0694 123.9670 55.0173 31.7596 175.0426 10 I 4.6117 8.7050 128.1251 59.8421 38.8213 176.2551 11 R 3.9982 8.7963 125.2937 56.1287 31.2574 176.7099 12 G 3.8581 8.6481 111.8841 47.3763 0.0000 173.9828 13 G 3.9825 9.0676 112.7039 45.3670 0.0000 174.1961 14 K 4.3443 7.7626 120.8887 54.8415 31.1245 176.4521 *16 Q 4.2827 7.8827 120.8750 55.7580 31.6202 177.4907 17 E 3.9256 8.3244 117.6570 59.5453 29.5677 178.0807 18 Y 4.0533 8.3281 119.5716 60.8274 38.7904 178.1600 19 L 4.0476 8.0773 119.4439 57.4147 41.7825 179.0393 20 K 3.9216 8.0724 119.6823 59.5675 32.0739 178.7105 21 L 4.0836 7.7174 118.6266 57.9155 41.5131 179.8397 22 V 3.5649 7.4794 117.7324 65.8727 31.2446 178.0137 23 R 3.7203 8.3710 118.1465 59.4004 30.0498 177.7730 24 E 4.3055 8.3429 116.6021 57.3889 29.8792 176.3550 25 E 4.3589 7.7645 115.6992 57.3296 32.3149 177.9417 26 G 2.8799 7.9140 105.4439 47.7463 0.0000 175.5224 27 I 3.8171 7.9143 121.4523 63.4537 37.7409 177.7616 28 A 3.9693 7.8732 120.5767 54.7464 18.1729 179.2906 29 I 3.9026 7.2580 118.0681 64.4584 37.4545 178.3034 30 Q 3.6338 8.2460 120.2426 58.8067 28.8241 177.9585 31 A 4.2787 8.2896 121.8908 54.8912 18.3015 177.5126 32 P 4.2025 0.0000 0.0000 65.9950 31.4669 178.6253 33 I 3.8273 6.9060 116.9469 64.5516 37.1745 178.3403 34 L 4.1908 7.7535 118.4868 56.1358 41.4810 177.2507 35 G 4.1895 9.8343 106.3342 45.7945 0.0000 173.7786 36 N 4.8832 7.6589 116.6911 51.6353 39.4556 171.8079 37 L 3.2819 7.8415 121.0533 54.9329 42.9979 176.2889 38 I 3.9529 7.9232 126.9894 63.0808 37.9744 175.9988 39 G 3.7851 7.0232 106.2021 44.7197 0.0000 171.1277 40 Y 4.4703 6.7511 120.5455 56.0563 41.4424 174.0177 41 F 5.1683 9.6348 124.9287 55.8075 44.0628 173.6789 42 V 4.8722 8.4513 120.7848 61.2547 33.5560 175.2929 43 T 4.0176 8.7508 125.6534 63.9855 68.2482 173.9780 44 D 4.6010 8.8833 125.2496 55.3791 42.2895 176.6385 45 I 4.5769 7.9303 118.5532 59.7235 41.2373 173.0140 46 G 3.9332 8.8759 111.9104 43.5563 0.0000 171.8873 47 P 4.3085 0.0000 0.0000 62.5670 31.8451 175.9025 48 L 4.5589 8.3234 122.5778 53.4164 44.3353 175.4211 49 S 3.6684 8.3833 111.2136 59.9265 60.8881 171.2732 50 Q 5.0961 7.8223 119.1714 54.3348 32.2437 174.4274 51 V 5.0466 8.5871 119.3577 59.7219 34.7811 174.7310 52 I 4.9816 8.8693 125.1998 59.9246 40.5379 174.4392 53 H 5.0063 8.1989 121.9756 52.2977 32.1964 171.9932 *55 W 4.7672 8.4473 116.1569 56.9256 30.4378 174.9508 56 G 4.4288 8.6266 110.9524 44.9721 0.0000 172.4182 57 Y 5.0555 8.8982 118.7180 56.0130 41.7707 175.5995 58 A 4.1519 9.1593 125.5103 55.1390 19.0143 178.0564 59 S 4.6437 7.5464 108.6284 56.4526 67.2537 175.1175 60 L 3.9943 8.4223 121.3804 57.3059 41.4416 178.9306 61 D 4.4538 7.9450 118.3485 55.3824 39.8311 178.0654 62 D 4.2699 7.9716 119.9442 57.1035 41.1491 177.9246 63 R 2.8859 7.8591 118.9671 59.2180 29.8599 178.3920 64 A 3.7870 7.5760 119.8881 54.9198 18.3374 179.1996 65 E 3.8145 7.9806 117.6144 59.4557 29.7403 179.4036 66 R 3.8823 8.0002 118.0114 59.4341 30.2830 179.3121 67 R 3.9122 8.5829 118.3449 58.8504 29.6353 179.4728 68 G 3.5271 8.3173 106.0863 47.8134 0.0000 175.8953 69 K 4.0230 7.8292 120.0653 58.8585 32.2865 178.9559 70 L 3.8629 7.8739 120.3330 58.1175 41.8157 178.8646 71 A 4.2741 7.7249 119.3468 54.3410 18.3247 178.2984 72 E 4.5471 7.4571 111.8940 55.3331 30.6885 176.2471 73 D 4.4913 7.6841 121.3269 54.4852 42.4945 176.7271 74 Q 4.0653 8.7893 126.0187 59.1368 28.8480 179.0462 75 R 4.0298 8.1712 118.8199 58.9143 30.1766 178.6629 76 W 4.3544 8.6584 128.3164 60.6425 30.5007 178.0347 77 Q 3.9997 8.3866 117.0895 58.9046 28.1786 178.3853 78 A 4.1482 7.6282 120.7552 54.4710 18.8927 179.1262 79 F 4.1761 7.9902 119.3075 61.2037 39.5421 177.5518 80 I 2.9605 7.4357 118.5512 63.3145 37.5961 176.0161 81 P 4.0964 0.0000 0.0000 65.4636 30.8723 178.6496 82 R 3.8352 7.3111 116.0598 58.5123 30.2122 178.3374 83 L 3.9519 7.0783 119.8323 57.9244 42.3734 178.7359 84 S 4.1280 8.1745 115.7099 61.4637 62.5056 176.8548 85 V 3.7608 7.1960 119.8097 63.6317 31.4325 177.3423 86 L 4.5180 7.9773 118.8288 53.8862 41.9088 175.6218 87 I 4.4043 6.9242 120.6433 60.0425 38.0618 175.1216 88 E 4.3768 8.9564 127.7535 58.6182 30.3794 176.3568 89 S 4.8350 7.7423 111.5128 57.5791 66.2106 173.6317 90 S 5.3621 8.4030 114.5033 57.5648 65.8829 172.5710 91 E 4.9782 9.0612 118.0474 55.7189 33.2345 173.1223 92 N 5.8092 8.5089 117.1563 52.0769 41.1285 173.1690 93 R 4.6983 8.7379 113.7175 55.3388 33.2388 173.7789 94 I 4.7966 8.3172 121.4961 60.0498 38.8018 174.9216 95 L 4.7375 9.2143 127.4817 52.8926 44.3604 175.4488 96 L 4.9049 8.3268 123.3277 52.2147 42.9463 174.8699 97 P 4.2238 0.0000 0.0000 62.5397 32.1328 176.6408 98 T 3.9856 7.8344 111.8768 60.8601 69.5116 174.7615 99 D 4.6050 8.2248 119.7477 54.3617 39.5031 176.5645 100 F 4.9006 6.9808 113.7047 56.6034 38.2190 174.6956 101 S 4.4689 7.5398 115.9583 57.1007 62.7626 172.4854 102 P 4.2528 0.0000 0.0000 65.0434 31.2781 176.1716 103 L 4.4185 7.6457 118.1579 53.8543 41.3047 176.6365 104 R 4.1365 8.2012 119.5456 56.6809 28.7487 174.8181 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 *0 H 8.43 4.60 0.00 2.95 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.30 4.13 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.94 0.00 0.00 3 V 8.45 4.90 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 0.77 0.00 0.00 0.94 0.00 0.00 4 E 9.34 5.04 0.00 2.25 2.15 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 2.38 2.34 0.00 5 E 8.89 4.85 0.00 2.12 1.80 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 2.20 2.25 0.00 6 R 8.98 5.09 0.00 1.34 1.56 0.00 3.32 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 7 I 8.87 4.93 1.92 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 1.22 1.26 0.94 0.00 0.00 8 Y 9.12 5.37 0.00 2.71 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 9 R 9.07 4.93 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 10 I 8.71 4.61 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.95 0.00 0.00 11 R 8.80 4.00 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 12 G 8.65 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 0.00 0.00 0.00 13 G 9.07 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 14 K 7.76 4.34 0.00 1.96 1.81 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.55 7.81 *16 Q 7.88 4.28 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 E 8.32 3.93 0.00 2.07 2.22 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 2.41 2.40 0.00 18 Y 8.33 4.05 0.00 3.19 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 19 L 8.08 4.05 0.00 1.80 1.72 1.01 1.02 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 20 K 8.07 3.92 0.00 1.99 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.49 7.81 21 L 7.72 4.08 0.00 1.89 1.94 0.80 0.67 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 22 V 7.48 3.56 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 0.78 0.00 0.00 0.71 0.00 0.00 23 R 8.37 3.72 0.00 1.75 2.05 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 E 8.34 4.31 0.00 2.05 1.97 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 2.28 2.45 0.00 25 E 7.76 4.36 0.00 1.97 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 2.27 2.28 0.00 26 G 7.91 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 0.00 0.00 0.00 27 I 7.91 3.82 1.92 0.00 0.00 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 1.39 1.47 0.88 0.00 0.00 28 A 7.87 3.97 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 29 I 7.26 3.90 2.13 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 1.44 0.80 1.03 0.00 0.00 30 Q 8.25 3.63 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.84 1.46 0.00 31 A 8.29 4.28 1.49 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 32 P 0.00 4.20 0.00 2.02 2.15 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 33 I 6.91 3.83 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.50 0.83 0.00 0.00 34 L 7.75 4.19 0.00 1.41 1.52 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.83 4.19 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 0.00 0.00 0.00 36 N 7.66 4.88 0.00 2.71 2.72 0.00 0.00 6.87 6.66 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 37 L 7.84 3.28 0.00 1.10 1.31 -0.35 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.92 3.95 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.88 0.00 0.00 39 G 7.02 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 40 Y 6.75 4.47 0.00 2.64 2.44 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 0.00 41 F 9.63 5.17 0.00 2.88 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 42 V 8.45 4.87 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 0.88 0.00 0.00 1.06 0.00 0.00 43 T 8.75 4.02 4.37 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 1.24 0.00 0.00 44 D 8.88 4.60 0.00 2.63 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 45 I 7.93 4.58 1.87 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 0.78 0.91 0.00 0.00 46 G 8.88 3.93 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.18 2.01 0.00 3.65 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 2.03 2.10 0.00 48 L 8.32 4.56 0.00 1.63 1.59 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.38 3.67 0.00 3.97 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 50 Q 7.82 5.10 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 51 V 8.59 5.05 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 0.78 0.00 0.00 0.79 0.00 0.00 52 I 8.87 4.98 1.98 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 1.27 0.77 0.99 0.00 0.00 53 H 8.20 5.01 0.00 2.54 1.87 0.00 5.58 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 *55 W 8.45 4.77 0.00 3.35 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 56 G 8.63 4.43 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 0.00 0.00 0.00 57 Y 8.90 5.06 0.00 2.82 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 58 A 9.16 4.15 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 59 S 7.55 4.64 0.00 4.01 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 60 L 8.42 3.99 0.00 1.68 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.94 4.45 0.00 2.83 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 62 D 7.97 4.27 0.00 2.86 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 63 R 7.86 2.89 0.00 1.13 1.75 0.00 2.84 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 64 A 7.58 3.79 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 65 E 7.98 3.81 0.00 2.26 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 2.31 2.22 0.00 66 R 8.00 3.88 0.00 2.11 1.99 0.00 3.59 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 67 R 8.58 3.91 0.00 1.75 1.86 0.00 2.98 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 68 G 8.32 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 69 K 7.83 4.02 0.00 2.12 1.85 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.32 7.81 70 L 7.87 3.86 0.00 1.44 1.57 -0.09 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.72 4.27 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 72 E 7.46 4.55 0.00 2.19 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 2.53 2.29 0.00 73 D 7.68 4.49 0.00 2.98 2.83 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 74 Q 8.79 4.07 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 75 R 8.17 4.03 0.00 2.13 2.05 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 76 W 8.66 4.35 0.00 3.46 3.40 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 77 Q 8.39 4.00 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 78 A 7.63 4.15 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 79 F 7.99 4.18 0.00 3.15 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 80 I 7.44 2.96 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.65 0.00 0.00 81 P 0.00 4.10 0.00 2.06 1.98 0.00 3.43 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 2.01 2.06 0.00 82 R 7.31 3.84 0.00 1.56 1.76 0.00 3.07 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 83 L 7.08 3.95 0.00 0.96 1.44 0.51 1.20 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 84 S 8.17 4.13 0.00 3.78 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 85 V 7.20 3.76 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 0.74 0.00 0.00 0.90 0.00 0.00 86 L 7.98 4.52 0.00 1.97 1.83 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 I 6.92 4.40 1.88 0.00 0.00 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 1.22 0.78 0.72 0.00 0.00 88 E 8.96 4.38 0.00 1.94 1.95 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 2.29 2.29 0.00 89 S 7.74 4.84 0.00 3.89 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 90 S 8.40 5.36 0.00 3.86 3.45 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 0.00 91 E 9.06 4.98 0.00 2.10 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 2.41 2.31 0.00 92 N 8.51 5.81 0.00 2.84 2.89 0.00 0.00 5.85 7.66 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 93 R 8.74 4.70 0.00 1.91 2.04 0.00 2.76 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 94 I 8.32 4.80 1.89 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 1.36 0.88 0.94 0.00 0.00 95 L 9.21 4.74 0.00 1.60 1.54 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.33 4.90 0.00 1.48 1.58 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.22 0.00 1.97 2.12 0.00 3.65 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 2.00 2.05 0.00 98 T 7.83 3.99 3.28 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 0.87 0.00 0.00 99 D 8.22 4.60 0.00 2.80 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 0.00 100 F 6.98 4.90 0.00 3.07 3.13 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 0.00 101 S 7.54 4.47 0.00 3.66 3.81 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 0.00 102 P 0.00 4.25 0.00 2.09 2.12 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 103 L 7.65 4.42 0.00 1.61 1.62 0.92 0.82 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 0.00 104 R 8.20 4.14 0.00 1.82 1.87 0.00 3.03 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.