NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6352 8.3649 120.2588 53.1947 40.9109 174.8078 6 F 4.7090 8.3319 119.0052 55.4705 41.7449 170.4968 7 E 3.8528 9.2218 122.5933 57.6984 30.7159 173.9016 8 E 3.8203 8.2036 134.6739 55.4541 27.9501 173.2568 9 K 4.6103 9.3787 127.9203 54.3230 35.1275 174.8056 10 M 4.6071 8.5425 123.1357 54.3539 31.7898 175.0749 11 I 4.1840 7.8258 126.6610 61.2264 36.9819 175.2716 12 L 4.9267 7.7612 121.5161 54.1627 44.1109 175.1067 13 I 5.9673 8.6240 120.8478 58.7569 40.3615 174.6804 14 R 4.8011 8.8663 122.1917 53.6285 33.3314 175.0421 15 R 5.0873 8.0519 116.2594 54.7171 29.9995 174.3619 16 T 3.9844 7.7215 108.7681 62.6467 69.7782 173.5166 17 A 4.2769 7.3695 121.4834 52.9386 22.0629 174.8308 18 R 4.1387 7.3518 106.2533 55.8599 32.9264 174.8926 19 M 4.4417 8.9592 123.9153 55.1201 32.9939 175.6598 20 Q 4.4803 8.3399 119.1903 56.0791 32.8041 173.0396 21 A 3.6256 8.0331 125.2052 51.9296 19.4127 175.4689 22 G 3.9794 9.4919 118.1835 44.0815 0.0000 175.4644 23 G 4.3245 8.2720 112.2281 43.8295 0.0000 171.4296 24 R 4.7570 8.4376 117.6272 54.7577 32.1750 175.9995 25 R 4.5901 8.7661 122.4942 54.9013 32.6629 174.9867 26 F 4.7643 9.1524 127.3632 58.3975 41.6184 174.7348 27 R 4.6023 7.0599 123.3186 56.7392 31.5846 173.4608 28 F 5.2524 7.9181 119.2542 55.6542 44.2261 173.8336 29 G 4.4158 9.3855 106.3898 44.5156 0.0000 171.7872 30 A 5.2838 9.3778 126.9747 50.2621 21.9533 174.8854 31 L 5.0075 9.0302 126.1128 54.4151 43.3764 174.9093 32 V 4.8129 9.2357 127.3690 61.0170 33.8910 174.3934 33 V 4.7632 8.7193 127.8754 61.2884 33.9144 174.5120 34 V 4.8125 9.3491 126.9842 61.2624 35.0278 174.3340 35 G 4.2734 8.5350 112.8885 44.8364 0.0000 172.8878 36 D 4.5352 9.1788 120.6279 54.4082 40.7021 177.3642 37 R 4.7597 9.4329 114.7851 56.7646 25.5963 175.2070 38 Q 4.5297 7.5197 113.6503 56.1716 36.0044 174.1213 39 G 3.2421 6.5616 108.9889 44.7617 0.0000 173.0671 40 R 5.1038 9.1629 121.0755 54.6536 34.1897 174.8303 41 V 4.8184 8.8559 116.5898 59.7639 36.8841 174.5709 42 G 4.3544 9.6814 109.2332 43.4126 0.0000 171.1923 43 L 5.1989 8.5437 125.2134 52.9374 44.2993 175.6554 44 G 4.3585 9.5315 112.8772 44.3555 0.0000 170.9192 45 F 5.6476 8.9265 123.7463 56.2437 41.8379 174.2223 46 G 4.0189 10.6144 113.7051 44.2896 0.0000 172.0505 47 K 5.0609 8.0853 122.7800 53.5500 34.9411 175.3999 48 A 4.4697 8.5331 123.5489 50.3685 22.2087 175.2203 49 P 4.2034 0.0000 0.0000 64.1283 32.2230 175.2589 50 E 4.7579 8.7729 119.2606 53.7170 32.9757 175.5853 51 V 3.4778 7.7769 119.8326 65.0693 31.4075 175.5034 52 P 4.1430 0.0000 0.0000 66.3965 31.1774 178.0525 53 L 4.0352 8.0367 115.1922 58.1696 41.6391 179.2099 54 A 4.1876 8.2015 119.4841 55.5812 18.4290 179.8460 55 V 3.5392 8.2095 116.6388 66.4004 31.6665 177.3899 56 Q 4.0373 8.9641 120.1951 59.7499 28.3689 178.8071 57 K 4.0233 9.2376 119.8212 59.5408 31.5430 178.9468 58 A 4.2927 8.6760 121.3279 55.7211 18.3430 179.4184 59 G 3.6528 8.8911 104.4533 47.9862 0.0000 174.6859 60 Y 4.1566 8.8997 122.1767 60.4787 38.6133 178.7053 61 Y 3.9005 9.2712 116.5744 61.6666 38.3259 177.3998 62 A 3.9759 9.7857 121.5839 55.1129 18.0786 179.9942 63 R 3.8055 8.5787 116.8264 59.1305 30.6304 178.0714 64 R 3.9598 7.4866 116.5243 58.6909 29.9652 175.7110 65 N 5.0724 8.9892 116.8489 52.2458 41.6787 173.6478 66 M 4.9901 8.2599 123.4959 54.7630 36.7572 173.8581 67 V 4.6370 9.1081 118.5949 60.3209 34.9887 174.3589 68 E 4.4497 8.7744 121.0009 56.8405 30.4756 177.0072 69 V 4.3377 8.6285 121.4649 59.8014 31.5141 172.5108 70 P 4.3916 0.0000 0.0000 62.5049 29.1822 174.8509 71 L 4.2577 7.7949 125.1623 54.5082 41.5479 175.5622 72 Q 4.2684 8.3994 126.3179 55.3342 29.5958 175.0725 73 N 4.4546 9.6681 125.3263 53.7072 38.2541 174.1867 74 G 4.2332 8.1612 105.5997 45.5665 0.0000 172.0599 75 T 4.8013 7.3654 112.1015 59.5705 70.4937 173.0162 76 I 3.7261 8.3075 127.4086 60.5605 38.0280 174.6425 77 P 5.1822 0.0000 0.0000 65.2241 32.0156 175.3322 78 H 5.0328 7.4992 115.7503 54.0618 31.3089 171.7265 79 E 5.3415 9.1815 117.2922 54.9832 32.1795 175.7209 80 I 4.4525 7.9491 113.4580 59.9631 40.8945 173.9953 81 E 5.1234 8.7579 126.5359 54.5819 29.0105 173.7527 82 V 3.9682 8.4165 121.0927 61.7904 32.9343 174.2510 83 E 4.5662 8.8025 130.3933 54.0631 30.2887 176.5825 84 F 4.8122 8.4764 134.8996 57.6732 38.5804 175.5243 85 G 3.7279 7.8237 108.4402 46.1252 0.0000 173.5708 86 A 3.6311 7.6539 121.0674 55.2163 19.6967 179.1059 87 S 4.8528 7.8357 108.3779 57.0133 65.8609 173.0472 88 K 5.0920 8.5192 121.5739 54.9862 35.8593 174.7804 89 I 5.1988 8.6666 124.8302 59.4693 42.2174 174.1861 90 V 5.5279 8.8352 119.5076 58.6814 36.2087 174.8159 91 L 5.1201 8.3061 122.0933 53.3301 46.1288 175.0469 92 K 4.9775 10.0547 123.9902 53.3879 35.1571 173.9794 93 P 4.5032 0.0000 0.0000 63.1872 31.3952 176.4611 94 A 4.3583 8.2915 131.4576 51.7178 18.6469 177.3859 95 A 4.3927 8.1890 118.9985 51.4221 20.6840 173.9220 96 P 5.0556 0.0000 0.0000 66.2980 30.4818 176.2713 97 G 4.1919 9.4312 112.9866 46.0459 0.0000 173.7429 98 T 4.1395 7.2338 115.7277 64.8783 69.7704 174.8668 99 G 3.6304 8.1555 105.2534 44.0844 0.0000 172.5784 100 V 4.2285 8.1086 119.2414 61.9473 31.3507 175.6203 101 I 4.3881 8.0935 123.9722 59.4006 38.0881 174.3610 102 A 4.5555 7.8519 130.0661 51.7832 22.1363 175.4494 103 G 3.8054 8.0707 105.2339 44.6019 0.0000 174.8657 104 A 3.8418 8.6080 122.6118 55.1944 18.2199 179.6584 105 V 3.8008 7.3635 115.6011 64.8594 31.6704 175.9782 106 P 4.2669 0.0000 0.0000 65.8816 31.0933 178.3665 107 R 3.7793 8.3148 118.4303 59.3858 29.9103 178.1669 108 A 4.0289 7.5673 118.9778 55.8789 18.5614 178.2776 109 I 3.9601 7.6332 118.1489 62.6357 37.1201 177.7983 110 L 3.9196 8.6114 119.9926 58.2968 41.8460 179.2108 111 E 4.0715 8.1390 118.8694 59.5977 29.4532 179.0306 112 L 3.9416 7.9875 117.6579 57.9724 41.3592 179.1911 113 A 3.9937 7.7284 120.2599 54.0827 17.9952 178.5161 114 G 3.9279 7.8919 103.1330 45.3416 0.0000 174.7314 115 V 3.6742 7.1788 120.0502 64.1391 31.5726 174.2919 116 T 4.3572 8.6842 122.3815 64.3185 70.7412 173.8451 117 D 5.1506 7.6715 121.4401 52.6462 43.6682 174.5105 118 I 4.8295 8.7413 123.4474 59.7191 41.5999 173.2369 119 L 4.6759 9.2265 129.8716 54.2737 43.2262 176.0335 120 T 5.0419 7.6875 112.4534 60.7739 72.5899 172.5988 121 K 4.2965 8.1227 118.6175 56.1856 36.1115 173.5535 122 E 5.2072 8.9108 124.9094 55.0523 32.3988 175.1524 123 L 4.1674 8.5791 120.1296 55.9876 46.3770 176.1217 124 G 3.9004 9.2840 112.1442 46.4493 0.0000 175.0030 125 S 4.5382 8.5659 111.7376 57.6264 64.2406 173.5435 126 R 4.4818 8.1466 118.3601 55.2545 32.5176 173.7681 127 N 4.0629 8.4990 118.3897 53.9552 38.2152 174.5876 128 P 4.0459 0.0000 0.0000 65.0641 33.3974 177.9994 129 I 3.4252 8.7602 115.4545 64.6256 36.1906 179.7023 130 N 4.2033 8.5156 123.8642 55.9149 39.8112 175.5282 131 I 3.6481 7.6043 119.7432 65.3130 37.1961 177.2105 132 A 3.6719 9.3208 119.3881 55.9570 17.9204 178.7568 133 Y 3.7222 8.5380 112.6346 60.6729 38.4606 179.1877 134 A 3.8923 7.8934 121.4024 55.2100 18.3854 179.7354 135 T 3.9213 8.3609 114.2360 66.5896 68.2771 176.3822 136 M 4.0973 7.6109 121.6319 57.7750 32.0730 178.0667 137 E 3.8398 8.0071 118.0654 60.4126 29.5396 178.7509 138 A 3.9708 7.7509 118.1465 55.3880 18.4934 179.1160 139 L 3.8968 7.8964 113.3777 57.9023 41.8964 179.7671 140 R 3.9054 8.0592 117.9090 59.7471 30.0903 177.9635 141 Q 4.4165 8.5816 116.1754 55.6234 30.1664 175.7086 142 L 4.7859 7.1058 119.1790 53.3869 43.8409 176.5329 143 R 4.7411 8.4559 118.9742 54.9176 34.1961 174.6001 144 T 4.5837 8.8391 111.9017 59.5337 70.8102 174.8375 145 K 3.8951 8.7405 125.2306 59.6059 32.3155 177.2327 146 A 4.0455 7.6652 120.6474 54.7790 18.2775 177.7280 147 D 4.4542 7.2392 119.6506 54.1290 39.6470 179.2763 148 V 3.7706 7.3967 121.2471 65.1390 31.2411 177.0962 149 E 3.4968 8.8162 118.5946 59.2240 29.4210 178.8767 150 R 4.0253 8.0952 117.8918 58.0621 30.1053 176.7483 151 L 4.5226 8.3401 117.7212 56.5213 44.2109 177.5110 152 R 4.4364 7.4432 117.5478 56.0526 30.1553 175.8577 153 K 4.5973 8.7378 121.0478 56.8857 33.8157 177.1391 154 G 2.9459 8.8408 111.4389 46.7158 0.0000 173.2299 *155 E 4.1319 7.5457 118.9160 56.2866 30.4399 177.4767 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 5 D 8.36 4.64 0.00 2.77 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 6 F 8.33 4.71 0.00 3.03 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 7 E 9.22 3.85 0.00 1.98 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 2.35 2.32 0.00 8 E 8.20 3.82 0.00 2.21 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 2.20 2.32 0.00 9 K 9.38 4.61 0.00 1.72 1.59 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 M 8.54 4.61 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 11 I 7.83 4.18 1.88 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 1.29 0.80 0.91 0.00 0.00 12 L 7.76 4.93 0.00 1.68 1.75 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.62 5.97 1.92 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 1.05 1.01 1.00 0.00 0.00 14 R 8.87 4.80 0.00 1.93 2.11 0.00 2.98 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 15 R 8.05 5.09 0.00 2.10 2.06 0.00 2.93 0.00 0.00 3.58 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.48 0.00 16 T 7.72 3.98 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 1.25 0.00 0.00 17 A 7.37 4.28 0.33 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 18 R 7.35 4.14 0.00 1.72 1.89 0.00 2.71 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 19 M 8.96 4.44 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 20 Q 8.34 4.48 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 21 A 8.03 3.63 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 22 G 9.49 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 23 G 8.27 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.76 0.00 1.61 1.62 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 25 R 8.77 4.59 0.00 1.77 1.68 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 26 F 9.15 4.76 0.00 2.74 2.53 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 27 R 7.06 4.60 0.00 1.79 1.79 0.00 3.12 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 28 F 7.92 5.25 0.00 3.07 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 29 G 9.39 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 0.00 0.00 0.00 0.00 30 A 9.38 5.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 5.01 0.00 1.67 1.60 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.24 4.81 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 0.75 0.00 0.00 0.99 0.00 0.00 33 V 8.72 4.76 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 0.93 0.00 0.00 0.90 0.00 0.00 34 V 9.35 4.81 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 0.90 0.00 0.00 0.93 0.00 0.00 35 G 8.53 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 0.00 0.00 0.00 0.00 36 D 9.18 4.54 0.00 2.89 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 37 R 9.43 4.76 0.00 1.95 2.34 0.00 3.31 0.00 0.00 3.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 38 Q 7.52 4.53 0.00 2.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.66 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 39 G 6.56 3.24 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 0.00 40 R 9.16 5.10 0.00 1.92 1.85 0.00 3.14 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 41 V 8.86 4.82 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 0.81 0.00 0.00 0.88 0.00 0.00 42 G 9.68 4.35 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 0.00 43 L 8.54 5.20 0.00 1.49 1.36 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.53 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 0.00 0.00 0.00 0.00 45 F 8.93 5.65 0.00 2.95 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 46 G 10.61 4.02 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 0.00 0.00 0.00 47 K 8.09 5.06 0.00 1.36 1.53 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.94 0.57 7.81 48 A 8.53 4.47 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 49 P 0.00 4.20 0.00 2.11 2.20 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 E 8.77 4.76 0.00 1.98 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 2.20 2.25 0.00 51 V 7.78 3.48 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 0.89 0.00 0.00 0.38 0.00 0.00 52 P 0.00 4.14 0.00 2.18 2.07 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 53 L 8.04 4.04 0.00 1.71 1.72 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.20 4.19 1.56 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 0.00 0.00 55 V 8.21 3.54 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 56 Q 8.96 4.04 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 57 K 9.24 4.02 0.00 1.97 2.12 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.40 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 58 A 8.68 4.29 1.53 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 59 G 8.89 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 0.00 0.00 0.00 60 Y 8.90 4.16 0.00 3.02 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 61 Y 9.27 3.90 0.00 3.38 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 62 A 9.79 3.98 1.50 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 0.00 0.00 63 R 8.58 3.81 0.00 1.74 1.96 0.00 3.16 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 64 R 7.49 3.96 0.00 2.02 2.18 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 65 N 8.99 5.07 0.00 2.80 2.61 0.00 0.00 7.00 7.53 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 66 M 8.26 4.99 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 67 V 9.11 4.64 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 0.73 0.00 0.00 0.90 0.00 0.00 68 E 8.77 4.45 0.00 2.00 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 2.27 2.30 0.00 69 V 8.63 4.34 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 0.81 0.00 0.00 1.00 0.00 0.00 70 P 0.00 4.39 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 71 L 7.79 4.26 0.00 1.84 1.66 0.96 0.85 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 72 Q 8.40 4.27 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 5.47 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 73 N 9.67 4.45 0.00 2.87 2.76 0.00 0.00 6.96 7.98 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 74 G 8.16 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 0.00 0.00 0.00 0.00 75 T 7.37 4.80 4.33 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 1.21 0.00 0.00 76 I 8.31 3.73 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.88 0.00 0.00 77 P 0.00 5.18 0.00 2.32 2.28 0.00 3.26 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 78 H 7.50 5.03 0.00 3.14 3.24 0.00 5.51 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.18 5.34 0.00 1.87 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 0.00 2.25 2.21 0.00 80 I 7.95 4.45 1.87 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 1.31 0.71 0.89 0.00 0.00 81 E 8.76 5.12 0.00 1.86 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 2.22 2.28 0.00 82 V 8.42 3.97 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 1.03 0.00 0.00 0.94 0.00 0.00 83 E 8.80 4.57 0.00 2.04 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 2.31 2.31 0.00 84 F 8.48 4.81 0.00 2.93 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 85 G 7.82 3.73 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 0.00 0.00 0.00 86 A 7.65 3.63 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 87 S 7.84 4.85 0.00 3.88 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 88 K 8.52 5.09 0.00 1.76 1.59 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 89 I 8.67 5.20 1.88 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 1.23 1.52 1.00 0.00 0.00 90 V 8.84 5.53 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 0.91 0.00 0.00 0.99 0.00 0.00 91 L 8.31 5.12 0.00 1.56 1.49 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 K 10.05 4.98 0.00 1.77 1.68 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.50 0.00 2.07 2.07 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.29 4.36 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 95 A 8.19 4.39 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 96 P 0.00 5.06 0.00 2.07 1.96 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 97 G 9.43 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 98 T 7.23 4.14 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 99 G 8.16 3.63 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 0.00 100 V 8.11 4.23 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 0.84 0.00 0.00 0.99 0.00 0.00 101 I 8.09 4.39 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 1.27 1.03 0.91 0.00 0.00 102 A 7.85 4.56 1.21 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 0.00 103 G 8.07 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 0.00 0.00 0.00 104 A 8.61 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.80 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 1.07 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.27 0.00 2.29 2.30 0.00 3.83 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 2.26 2.04 0.00 107 R 8.31 3.78 0.00 1.93 2.03 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 108 A 7.57 4.03 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 0.00 109 I 7.63 3.96 1.99 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 1.48 0.89 0.88 0.00 0.00 110 L 8.61 3.92 0.00 1.64 1.73 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.14 4.07 0.00 2.06 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 2.33 2.40 0.00 112 L 7.99 3.94 0.00 1.87 1.72 0.98 0.71 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 0.00 113 A 7.73 3.99 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 0.00 114 G 7.89 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 0.00 115 V 7.18 3.67 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 0.79 0.00 0.00 0.96 0.00 0.00 116 T 8.68 4.36 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 D 7.67 5.15 0.00 2.56 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 0.00 118 I 8.74 4.83 1.87 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 1.22 1.10 0.91 0.00 0.00 119 L 9.23 4.68 0.00 1.75 1.56 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.69 5.04 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 0.00 121 K 8.12 4.30 0.00 1.89 1.63 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.31 7.81 122 E 8.91 5.21 0.00 1.87 1.83 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 2.22 2.31 0.00 123 L 8.58 4.17 0.00 1.58 1.50 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.28 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 0.00 125 S 8.57 4.54 0.00 3.84 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 0.00 126 R 8.15 4.48 0.00 1.77 1.86 0.00 3.64 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 127 N 8.50 4.06 0.00 2.73 2.76 0.00 0.00 7.17 7.17 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 0.00 128 P 0.00 4.05 0.00 2.06 1.99 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 129 I 8.76 3.43 1.69 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.67 0.52 0.00 0.00 130 N 8.52 4.20 0.00 2.80 3.03 0.00 0.00 6.79 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 0.00 131 I 7.60 3.65 1.87 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 1.80 0.87 0.92 0.00 0.00 132 A 9.32 3.67 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 0.00 133 Y 8.54 3.72 0.00 2.26 2.20 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 0.00 134 A 7.89 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 0.00 135 T 8.36 3.92 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 1.18 0.00 0.00 136 M 7.61 4.10 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.76 0.00 137 E 8.01 3.84 0.00 2.04 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 0.00 2.29 2.55 0.00 138 A 7.75 3.97 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 0.00 139 L 7.90 3.90 0.00 1.78 1.72 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.06 3.91 0.00 1.85 2.15 0.00 3.38 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 Q 8.58 4.42 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 142 L 7.11 4.79 0.00 1.77 1.55 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.46 4.74 0.00 1.74 1.78 0.00 3.36 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 144 T 8.84 4.58 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 0.00 145 K 8.74 3.90 0.00 1.81 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.84 1.48 7.81 146 A 7.67 4.05 1.25 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 0.00 147 D 7.24 4.45 0.00 2.75 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 0.00 148 V 7.40 3.77 2.31 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 1.03 0.00 0.00 0.94 0.00 0.00 149 E 8.82 3.50 0.00 2.20 2.21 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 2.66 2.47 0.00 150 R 8.10 4.03 0.00 1.83 2.12 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 151 L 8.34 4.52 0.00 1.69 1.67 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.44 4.44 0.00 1.77 1.91 0.00 3.11 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 153 K 8.74 4.60 0.00 1.71 1.55 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.33 7.81 154 G 8.84 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 0.00 0.00 0.00 *155 E 7.55 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.