NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.6341 8.1876 119.6700 55.3118 30.9958 174.6461 3 Q 3.9720 7.5492 113.9827 53.2448 31.7371 171.2210 4 S 4.4580 7.7074 114.8421 56.3024 65.3773 174.6564 5 E 3.9553 8.7211 121.3927 56.9039 29.5034 176.9848 6 H 4.3344 8.7741 120.0548 57.4420 29.2341 175.8033 7 F 4.8261 7.8525 116.9141 55.4635 42.0318 174.4287 8 S 4.5749 8.3359 119.2282 56.7325 66.4627 173.3495 9 F 4.9694 8.6529 123.3964 55.5627 39.9870 176.8829 10 G 3.9080 9.1674 115.6004 48.6977 0.0000 173.7227 11 E 4.3399 8.2930 116.6078 57.2906 30.1472 176.8125 12 Q 4.5105 8.2406 117.4251 57.2808 30.6831 176.8661 13 T 3.9796 7.9521 113.7015 63.2931 68.9531 173.6056 14 E 3.9698 8.7835 126.9434 56.5797 30.2345 175.7399 15 I 4.4268 8.1532 126.3810 60.1228 38.4787 174.4555 16 E 4.4700 9.0208 129.4914 54.2877 31.4018 174.2982 17 D 4.6862 8.8076 127.6604 53.9865 41.5820 175.3162 18 I 4.1979 8.0449 119.5571 60.0406 37.8837 176.4943 19 G 3.8234 9.1358 112.4777 46.3199 0.0000 174.9096 20 G 3.8936 8.8750 103.8299 45.9320 0.0000 175.1813 21 G 4.5698 8.2230 106.0387 44.8805 0.0000 172.8688 22 L 5.0237 7.4654 119.5793 52.6018 44.4516 175.7047 23 K 5.0015 8.8037 121.2534 54.6274 36.1671 175.1777 24 R 5.1957 9.1751 124.0488 54.4208 33.1430 173.0277 25 Q 4.8009 9.6468 129.2461 55.9047 32.2188 176.9317 *27 L 3.9918 8.8407 113.7528 52.7352 43.9847 177.6600 28 G 4.6697 7.2586 110.0370 46.3938 0.0000 172.2075 29 F 5.4586 8.0966 116.5737 55.9409 41.9892 173.1246 30 N 5.7452 9.2613 116.4110 50.3265 40.5474 174.1985 31 H 4.1837 9.0241 112.4902 58.3743 27.9220 175.8292 32 E 4.6247 8.2747 114.9088 55.5416 30.5701 174.6567 33 L 4.5098 7.8507 120.1983 53.8147 45.6908 173.6071 *35 A 4.6154 8.2702 121.9282 51.9832 20.1927 176.1821 36 V 4.6657 8.9321 114.9791 59.3580 36.5957 174.3594 37 K 4.7439 9.3877 124.1515 54.7660 34.4150 174.7065 38 I 5.0353 8.2852 128.3228 59.4162 40.1277 174.5463 39 W 5.2039 9.6952 128.3650 55.6739 31.0157 175.4124 40 F 4.8940 9.5643 124.7369 56.0308 40.1735 175.7053 41 D 4.9028 9.0220 124.2752 53.9081 42.2292 176.4321 42 K 4.1584 8.6573 119.9551 58.2331 32.3693 177.5613 43 G 3.8030 9.4188 111.7365 45.9225 0.0000 173.4650 44 A 4.3783 7.9556 121.9098 51.8617 19.8298 176.6253 45 E 5.0747 7.6765 117.7292 54.8390 33.8369 174.7010 46 G 4.2451 8.7823 111.6767 44.5340 0.0000 172.4380 47 Y 4.6876 8.3754 123.2392 56.6522 38.6763 177.3424 48 V 3.9473 8.3670 122.9015 64.0528 32.3693 174.5195 49 H 4.9616 8.7491 125.2287 55.4139 33.6365 171.7803 50 A 5.0200 7.9986 123.4363 51.4479 22.2701 174.7133 51 H 4.7504 8.2557 113.2334 54.8253 31.3957 175.1868 52 R 3.4859 8.6489 115.9391 59.2729 29.6757 176.7548 53 H 4.3726 8.1561 114.4188 56.2164 29.2887 175.9321 54 S 4.5626 9.0113 118.6079 58.9690 64.4041 173.1503 55 Q 4.9425 8.8223 122.8831 54.7186 32.6383 173.5542 56 V 4.8170 8.7756 126.1966 61.1750 34.9071 174.2963 57 S 4.8379 8.6375 122.7227 56.6294 66.8686 172.2257 58 Y 4.9582 8.4225 124.2017 55.6486 41.9142 174.5037 59 V 3.6788 7.7320 127.1628 62.1225 32.0020 176.5797 60 V 3.8147 8.5196 129.4839 65.3923 31.5845 175.7308 61 E 4.6509 8.1642 116.4412 56.0746 32.8471 173.4122 62 G 4.1787 8.8162 105.8409 45.2801 0.0000 171.9076 63 E 4.9345 8.5425 118.1301 54.5668 31.2717 175.5359 64 F 4.8738 9.7843 124.7367 55.8473 42.0186 174.5450 65 H 4.7965 9.2180 122.4691 55.1915 29.4680 174.3504 66 V 4.6078 8.7023 124.6486 60.7923 34.1440 173.6580 67 N 5.1946 9.3275 127.4280 51.9752 40.9851 173.4086 68 V 4.4873 8.2672 126.4631 61.2499 34.2398 174.8430 69 D 4.4012 10.0304 128.5759 55.2450 40.0118 174.6579 70 G 3.9968 8.3963 107.0112 44.8677 0.0000 175.0431 71 V 3.8220 7.6184 120.3974 62.6240 32.1469 174.5318 72 I 5.1750 8.1325 126.4538 59.5757 40.1627 174.8794 73 K 4.6639 8.7529 124.8805 54.6321 36.9572 175.3418 74 V 4.3347 8.2867 122.8303 62.0464 32.3623 175.0251 75 L 4.9749 9.7888 128.3044 53.3328 45.0788 175.4315 76 T 5.7771 9.1966 116.1983 58.4621 71.5362 172.4528 77 A 4.1075 8.5627 124.6315 54.3045 18.3309 178.0794 78 G 4.4711 8.5577 111.7468 44.6237 0.0000 173.0564 79 D 4.9975 7.4897 119.8933 53.2471 43.2814 175.3564 80 S 5.0899 8.3120 113.6165 57.1058 66.4816 172.7336 81 F 5.1835 8.4759 114.5628 55.1566 41.7531 173.1380 82 F 5.4062 8.9802 121.1657 56.5129 41.8343 174.0816 83 V 3.9807 8.4758 126.4134 60.2810 33.2181 173.3183 84 P 4.2010 0.0000 0.0000 61.3837 32.7802 174.4334 85 P 4.4456 0.0000 0.0000 64.0572 31.5314 176.6906 86 H 4.2629 9.0027 118.7939 56.0107 27.0142 175.0055 87 V 3.9373 7.4433 120.0935 62.3551 32.1139 175.7348 88 D 4.8573 8.7088 127.6732 55.1020 41.8740 174.8846 89 H 5.3075 8.8023 116.3645 55.0361 32.3652 172.5105 90 G 4.3373 9.6607 106.5478 45.1505 0.0000 171.5132 91 A 5.2267 8.3387 118.8568 50.2412 22.9085 175.4563 92 V 4.5403 8.9048 121.9978 61.2305 35.2476 174.0793 93 C 4.6411 8.5421 127.0419 55.6480 32.2041 172.2348 94 P 4.1766 0.0000 0.0000 65.2553 31.1513 177.8536 95 T 3.9569 7.9106 107.7997 62.1054 69.2412 175.9361 96 G 4.0541 7.9703 106.9686 45.2482 0.0000 172.8476 97 G 4.1828 7.3929 104.2732 46.7891 0.0000 171.1637 98 I 5.2672 9.0320 120.5393 59.6890 41.6579 174.8094 99 L 4.8712 8.8276 125.7582 52.8829 45.5227 175.6584 100 I 4.6696 8.4878 123.5398 60.0485 38.9722 174.3295 101 D 4.9085 8.5366 128.2757 52.7735 42.5973 175.9217 102 T 4.7618 8.3224 114.0533 59.6768 71.8087 173.0495 103 F 5.9740 8.6173 121.6379 54.7635 42.8429 173.9510 104 S 5.0916 8.9409 117.3962 54.8480 64.3599 171.5958 105 P 4.6480 0.0000 0.0000 62.4933 31.6366 175.4849 106 A 4.2100 8.5044 121.7084 52.1835 19.4843 178.1776 107 R 3.7380 8.0959 118.8896 54.5433 29.4671 177.3927 108 E 3.9120 8.4851 125.6518 58.6740 29.8400 178.4467 109 D 4.3984 7.6789 116.8946 55.3267 39.4701 176.7197 110 F 4.9530 7.7106 117.2329 57.8480 39.5051 176.3347 111 V 3.9214 7.2717 119.1481 63.3810 31.6453 175.2044 112 E 4.1350 7.3379 123.1203 56.2526 28.8166 176.0504 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 Q 8.19 4.63 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 3 Q 7.55 3.97 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 4 S 7.71 4.46 0.00 3.85 3.67 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 5 E 8.72 3.96 0.00 1.98 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 0.00 2.36 2.48 0.00 6 H 8.77 4.33 0.00 2.99 2.85 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.85 4.83 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.34 4.57 0.00 3.79 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 9 F 8.65 4.97 0.00 3.25 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 10 G 9.17 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 11 E 8.29 4.34 0.00 2.00 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 2.36 2.29 0.00 12 Q 8.24 4.51 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 13 T 7.95 3.98 4.36 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 1.30 0.00 0.00 14 E 8.78 3.97 0.00 1.92 1.88 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 2.30 2.40 0.00 15 I 8.15 4.43 1.62 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 0.94 0.64 0.40 0.00 0.00 16 E 9.02 4.47 0.00 2.02 1.91 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 2.20 2.22 0.00 17 D 8.81 4.69 0.00 2.67 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 18 I 8.04 4.20 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.89 0.00 0.00 19 G 9.14 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 20 G 8.88 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 0.00 0.00 0.00 21 G 8.22 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 0.00 0.00 0.00 0.00 22 L 7.47 5.02 0.00 1.61 1.39 0.63 -0.23 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 23 K 8.80 5.00 0.00 1.87 1.65 0.00 1.28 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.33 7.81 24 R 9.18 5.20 0.00 1.73 1.64 0.00 2.27 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 25 Q 9.65 4.80 0.00 2.63 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.15 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 *27 L 8.84 3.99 0.00 1.76 1.78 0.89 0.82 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 28 G 7.26 4.67 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 0.00 0.00 0.00 29 F 8.10 5.46 0.00 3.20 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 30 N 9.26 5.75 0.00 2.91 2.84 0.00 0.00 6.59 7.52 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 31 H 9.02 4.18 0.00 3.37 3.68 0.00 5.39 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.27 4.62 0.00 2.12 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 0.00 2.13 2.13 0.00 33 L 7.85 4.51 0.00 1.68 1.49 0.92 1.07 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 *35 A 8.27 4.62 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 36 V 8.93 4.67 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 0.99 0.00 0.00 1.08 0.00 0.00 37 K 9.39 4.74 0.00 1.61 1.37 0.00 1.44 0.00 0.00 0.80 0.00 0.00 2.49 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.97 7.81 38 I 8.29 5.04 2.12 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 1.29 0.83 0.00 0.00 39 W 9.70 5.20 0.00 3.31 3.09 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 40 F 9.56 4.89 0.00 3.00 3.01 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 41 D 9.02 4.90 0.00 2.63 2.63 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 42 K 8.66 4.16 0.00 1.75 1.95 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.47 7.81 43 G 9.42 3.80 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 0.00 0.00 0.00 44 A 7.96 4.38 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 45 E 7.68 5.07 0.00 2.01 1.48 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 1.47 1.82 0.00 46 G 8.78 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 0.00 0.00 0.00 0.00 47 Y 8.38 4.69 0.00 3.06 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 48 V 8.37 3.95 2.14 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 0.81 0.00 0.00 0.97 0.00 0.00 49 H 8.75 4.96 0.00 3.49 2.94 0.00 5.84 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 50 A 8.00 5.02 1.17 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 0.00 0.00 0.00 51 H 8.26 4.75 0.00 3.27 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.65 3.49 0.00 1.91 2.21 0.00 2.91 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 53 H 8.16 4.37 0.00 2.99 3.41 0.00 5.90 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 54 S 9.01 4.56 0.00 3.91 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 55 Q 8.82 4.94 0.00 2.36 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 56 V 8.78 4.82 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 0.96 0.00 0.00 0.91 0.00 0.00 57 S 8.64 4.84 0.00 2.72 2.63 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 58 Y 8.42 4.96 0.00 2.89 2.63 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 59 V 7.73 3.68 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 0.89 0.00 0.00 0.73 0.00 0.00 60 V 8.52 3.81 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 0.83 0.00 0.00 0.99 0.00 0.00 61 E 8.16 4.65 0.00 2.07 2.01 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 2.32 2.38 0.00 62 G 8.82 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 0.00 0.00 0.00 0.00 63 E 8.54 4.93 0.00 1.81 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 2.19 2.37 0.00 64 F 9.78 4.87 0.00 2.76 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 65 H 9.22 4.80 0.00 3.07 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.70 4.61 1.74 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 -0.01 0.00 0.00 0.64 0.00 0.00 67 N 9.33 5.19 0.00 2.72 2.70 0.00 0.00 6.25 6.86 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 68 V 8.27 4.49 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 0.84 0.00 0.00 0.84 0.00 0.00 69 D 10.03 4.40 0.00 2.76 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 70 G 8.40 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 71 V 7.62 3.82 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 0.94 0.00 0.00 0.93 0.00 0.00 72 I 8.13 5.18 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 1.05 0.89 0.00 0.00 73 K 8.75 4.66 0.00 1.59 1.60 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.49 7.81 74 V 8.29 4.33 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 0.65 0.00 0.00 0.71 0.00 0.00 75 L 9.79 4.97 0.00 1.67 1.52 1.07 0.35 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 76 T 9.20 5.78 4.46 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 0.00 0.00 1.25 0.00 0.00 77 A 8.56 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 78 G 8.56 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 0.00 0.00 0.00 0.00 79 D 7.49 5.00 0.00 2.64 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 80 S 8.31 5.09 0.00 3.89 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 81 F 8.48 5.18 0.00 3.05 3.06 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 0.00 0.00 0.00 82 F 8.98 5.41 0.00 2.88 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 83 V 8.48 3.98 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 0.80 0.00 0.00 1.03 0.00 0.00 84 P 0.00 4.20 0.00 1.99 1.88 0.00 3.37 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.45 0.00 85 P 0.00 4.45 0.00 2.04 2.16 0.00 3.86 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 86 H 9.00 4.26 0.00 3.30 3.46 0.00 5.85 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 87 V 7.44 3.94 2.12 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 0.70 0.00 0.00 0.90 0.00 0.00 88 D 8.71 4.86 0.00 2.64 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 89 H 8.80 5.31 0.00 3.26 3.33 0.00 5.24 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 90 G 9.66 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 0.00 0.00 0.00 0.00 91 A 8.34 5.23 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 92 V 8.90 4.54 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 0.91 0.00 0.00 0.88 0.00 0.00 93 C 8.54 4.64 0.00 1.90 2.54 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 94 P 0.00 4.18 0.00 1.91 2.02 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 95 T 7.91 3.96 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 1.16 0.00 0.00 96 G 7.97 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 0.00 0.00 0.00 0.00 97 G 7.39 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 0.00 0.00 0.00 0.00 98 I 9.03 5.27 1.81 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 0.80 0.72 0.50 0.00 0.00 99 L 8.83 4.87 0.00 1.59 1.37 0.76 -0.18 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 0.00 100 I 8.49 4.67 1.85 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 1.20 1.07 0.89 0.00 0.00 101 D 8.54 4.91 0.00 2.69 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 0.00 0.00 0.00 0.00 102 T 8.32 4.76 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 1.07 0.00 0.00 103 F 8.62 5.97 0.00 2.89 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 0.00 104 S 8.94 5.09 0.00 3.92 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 0.00 105 P 0.00 4.65 0.00 2.12 2.10 0.00 3.85 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 1.84 1.92 0.00 106 A 8.50 4.21 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 0.00 107 R 8.10 3.74 0.00 0.67 0.75 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 108 E 8.49 3.91 0.00 1.95 1.88 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 2.33 2.26 0.00 109 D 7.68 4.40 0.00 2.87 2.75 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 0.00 110 F 7.71 4.95 0.00 2.83 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 0.00 111 V 7.27 3.92 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 0.54 0.00 0.00 0.43 0.00 0.00 112 E 7.34 4.13 0.00 2.07 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 0.00 2.39 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.