NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7854 8.3544 109.7382 45.5866 0.0000 174.4823 *2 R 4.3382 9.1715 123.2181 56.3351 32.4414 176.0689 3 E 4.2012 8.1899 116.7061 59.6701 29.4399 179.1637 4 E 4.0419 8.1892 118.0370 59.1921 29.5225 179.4290 5 K 3.9196 7.8860 118.2683 59.2955 32.1699 179.2728 6 I 3.1239 7.3813 120.0687 64.1025 36.7708 178.3961 7 R 3.5159 7.6539 119.8301 59.1651 29.9805 177.9214 8 E 3.8315 8.4061 119.2717 59.3857 29.4954 178.7817 9 A 3.8977 7.6532 120.5629 55.0533 18.4056 179.6555 10 L 3.6489 8.0414 117.9037 57.8807 41.7157 179.3097 11 N 4.4614 8.4984 116.6128 56.5014 38.4010 177.3293 12 A 3.9640 7.8577 121.6672 55.0470 18.4424 178.9934 13 H 3.7163 8.1434 117.0502 59.3568 29.7963 177.5461 14 W 4.3422 7.8616 120.3596 59.5087 28.9832 178.6894 15 Q 3.8790 8.2355 118.0316 58.8475 28.1359 178.7213 16 A 3.8422 8.0699 122.0464 55.0284 17.8569 179.6670 17 S 3.8774 7.6665 111.4870 61.3996 62.2418 176.2860 18 A 3.7114 7.2123 122.1992 54.6313 18.1329 178.8584 19 A 4.1549 7.5122 117.5371 52.2110 18.8814 178.2687 20 G 3.2734 7.0293 103.7639 46.6447 0.0000 174.9784 21 D 4.3775 7.4528 121.1905 52.8765 39.4421 176.2338 22 F 4.3715 7.9165 123.6014 59.7319 39.5608 176.4885 23 D 4.5554 8.2534 118.2569 57.4820 40.8118 178.4153 24 A 4.0105 8.2038 121.2195 55.0571 18.1284 179.2148 25 E 3.8618 8.4592 117.1256 58.4998 29.8064 177.6191 26 H 5.2121 7.9793 114.3189 55.6546 29.3869 175.3168 27 D 4.3471 7.8633 121.2067 57.2036 41.2607 176.7875 28 I 3.7697 7.4976 118.5152 62.7075 39.0133 175.0186 29 Y 4.8136 7.2872 119.5589 56.8179 39.2135 175.2631 30 D 4.5616 8.9548 123.4653 54.3394 42.2717 176.9799 31 D 4.3944 8.9804 122.7735 56.2576 39.4150 177.5462 32 D 4.9389 8.6361 117.4050 53.5880 41.2351 176.1194 33 A 4.4315 7.7482 122.2146 52.7641 19.5351 177.4010 34 I 4.8439 8.4781 114.2168 59.2058 40.9345 174.1858 35 C 5.2831 8.8671 124.2577 57.9255 34.5351 172.1018 36 D 5.1625 9.0413 126.1864 52.8991 43.5526 175.2780 37 Y 5.1987 8.5685 121.3238 55.6513 38.2174 174.7735 38 P 4.3632 0.0000 0.0000 65.0283 31.9251 179.2143 39 Q 4.2970 8.1346 116.6541 57.8930 28.7360 176.8609 40 S 4.5787 7.6036 110.1302 57.1945 64.3211 175.0714 41 G 3.9261 8.2218 109.1304 45.8460 0.0000 173.0216 42 E 4.4680 7.7428 118.2319 55.2754 31.1457 175.4230 43 R 4.8556 8.4164 123.1680 54.5421 33.0404 174.2086 44 I 4.3880 8.6989 127.0926 59.5307 39.6349 174.3931 45 L 4.6416 8.7040 126.7888 54.4671 43.4982 176.9519 46 G 3.8467 9.3798 112.1435 45.7483 0.0000 174.5275 47 R 3.8655 8.5425 121.1316 57.0544 30.1911 177.9690 *49 N 4.5949 8.2679 115.4866 52.7289 40.7731 176.5593 50 L 3.8450 7.9987 119.4746 58.1480 42.0931 178.8855 51 Q 3.5112 8.0152 119.2732 58.9544 28.8318 178.0126 52 A 3.9034 7.7446 121.3598 54.9803 18.4957 179.5092 53 L 3.9184 8.0038 117.6011 58.0969 41.8505 180.0078 54 R 4.0430 8.0936 117.9894 59.3038 29.7675 179.2592 55 S 2.8772 7.6595 114.0529 60.5605 62.7001 175.9337 56 H 4.3210 7.4339 120.6804 57.4907 30.1971 174.7917 57 H 4.5570 7.5775 116.8684 54.7569 32.9943 171.3832 58 P 3.7623 0.0000 0.0000 62.0550 31.9950 177.7564 59 G 3.9702 7.7333 108.1527 44.9433 0.0000 172.8359 60 K 4.1480 9.0630 121.0281 55.7719 31.4142 176.0396 61 P 3.4852 0.0000 0.0000 62.2640 31.9721 177.0665 62 A 4.1629 7.5618 122.3709 54.5268 19.0104 178.0818 63 G 4.2142 7.4940 100.3898 45.0668 0.0000 172.2061 64 F 5.2634 8.5980 125.1257 56.8399 42.8328 173.0326 65 E 4.6953 8.2337 126.1183 54.9467 33.3950 173.9655 66 V 3.8586 8.4405 127.3379 63.0506 31.9827 175.3289 67 R 4.2552 8.9485 129.3394 58.3044 30.8010 176.3524 68 R 4.6527 7.4740 116.2845 55.3485 33.5831 172.9791 69 I 5.2071 8.5307 125.6414 59.7344 40.0605 174.7818 70 Q 4.7141 8.9363 125.5270 54.3252 32.3952 174.8097 71 G 2.2924 7.6800 105.9391 44.9251 0.0000 172.4872 72 E 4.5925 7.7251 122.8896 55.0960 34.0689 175.3382 73 G 3.8953 9.3389 116.0354 47.2740 0.0000 173.8792 74 N 5.0658 9.1511 122.1283 52.5237 39.2741 172.7529 75 L 5.1137 8.0657 122.4933 53.2046 43.7338 175.2573 76 W 5.3149 8.9125 124.8914 54.9810 33.8873 174.0365 77 I 5.2778 9.2131 123.3779 59.9265 41.1781 173.6226 78 T 5.1607 9.4185 126.4493 61.9209 71.3596 172.8437 79 E 5.2247 9.2124 126.7972 54.9216 31.8891 174.7646 80 Y 4.9659 8.4953 121.1214 56.2556 42.1204 173.3083 81 S 5.0563 8.7904 116.6161 56.5175 66.0056 173.4899 82 I 5.1058 8.1749 116.7060 59.3362 41.1122 174.2892 83 S 5.0952 8.7449 117.7017 57.2453 66.4029 172.2446 84 Y 4.8364 8.1792 121.7493 56.9167 42.0699 175.3327 85 N 4.3409 9.8737 119.7777 54.4343 36.1763 174.8630 86 G 3.8144 8.5309 103.2301 46.0778 0.0000 174.3390 87 R 4.6322 8.0531 119.6442 53.4773 32.1353 173.4984 88 P 4.8468 0.0000 0.0000 61.8563 33.3953 175.1957 89 A 4.8982 8.8373 122.8154 50.3032 22.1310 174.9808 90 Y 4.0939 9.0950 121.4251 58.1355 38.8606 174.9277 91 T 4.8662 8.7161 121.9495 61.4425 72.0719 173.7506 92 V 4.7914 8.3691 124.1086 61.1475 34.9300 173.9832 93 S 5.3388 9.5865 122.9966 56.9146 64.8942 173.3394 94 I 5.1495 8.9244 128.2549 59.1787 40.2739 174.4888 *96 E 4.7767 8.3688 121.3258 56.7061 30.7703 175.2573 97 F 5.2995 9.3198 123.3007 56.0734 41.5977 175.9305 98 R 4.6166 9.0224 120.6815 56.1755 33.9084 175.3049 99 N 4.0049 10.1410 120.2516 54.3872 36.2624 175.2114 100 G 4.0462 8.8792 103.0630 45.3937 0.0000 173.9498 101 K 4.6946 7.8853 118.2899 53.8699 35.8169 175.5529 102 V 3.4760 8.0574 122.7118 63.0829 31.8671 176.7563 103 V 4.1920 9.2177 121.0603 62.1806 34.1138 175.3585 104 H 5.3402 8.0579 119.7666 54.8457 32.6262 172.0383 105 E 5.1306 9.7361 127.2819 54.7504 32.8407 174.5167 106 T 5.1309 9.1794 122.5118 61.9342 71.9414 172.8333 107 Q 5.2635 9.1128 125.3414 54.2895 31.6943 174.7280 108 Y 4.7670 8.5921 119.7627 56.1229 41.9538 174.8530 109 F 5.1127 9.9682 121.7741 55.9340 41.6737 174.4881 110 S 5.0278 9.3682 119.1918 56.4717 66.0647 173.3242 111 D 5.1047 8.7020 120.8414 52.8483 41.9266 174.8594 112 P 4.4198 0.0000 0.0000 62.9055 32.0577 175.8339 113 F 5.0831 7.5685 114.1282 54.8971 40.9729 174.1603 114 E 4.0753 8.9074 121.7397 55.7010 29.9660 176.8160 115 A 4.0969 8.4909 126.7322 51.7815 18.9916 175.5499 116 P 4.5775 0.0000 0.0000 62.0386 32.5619 177.9651 117 G 3.8027 8.8887 111.1496 48.3318 0.0000 175.7706 118 W 4.3791 8.4614 116.5087 58.6739 28.2477 176.8246 119 R 4.6337 6.8593 112.2681 55.3517 29.1739 177.7852 120 S 3.9705 7.9174 116.0844 61.9415 62.7843 176.3550 121 Q 3.8407 7.5294 117.3088 56.7902 28.4684 176.2990 122 W 4.8135 7.9507 116.2080 56.0781 30.4322 175.5445 123 V 4.4922 7.4474 111.4423 59.3397 34.2779 174.6419 124 Q 4.2899 8.4032 123.3082 54.6445 30.1121 174.8809 125 Q 4.2916 8.5258 126.7304 55.0718 28.9296 174.7788 126 I 4.1803 8.2537 118.5012 59.6597 39.3644 175.8809 127 G 4.0734 8.0742 114.6848 45.9793 0.0000 173.2645 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 G 8.35 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 *2 R 9.17 4.34 0.00 1.89 2.00 0.00 3.19 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 3 E 8.19 4.20 0.00 2.18 2.32 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 2.70 2.54 0.00 4 E 8.19 4.04 0.00 1.98 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 0.00 2.44 2.37 0.00 5 K 7.89 3.92 0.00 1.87 1.76 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 6 I 7.38 3.12 1.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.26 -1.56 0.00 0.00 7 R 7.65 3.52 0.00 1.89 2.02 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 8 E 8.41 3.83 0.00 2.08 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 2.25 2.30 0.00 9 A 7.65 3.90 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 10 L 8.04 3.65 0.00 1.74 1.84 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.50 4.46 0.00 2.88 2.91 0.00 0.00 6.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.86 3.96 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 13 H 8.14 3.72 0.00 2.88 2.81 0.00 5.78 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 14 W 7.86 4.34 0.00 3.44 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 15 Q 8.24 3.88 0.00 2.18 2.08 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 2.60 2.52 0.00 16 A 8.07 3.84 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 17 S 7.67 3.88 0.00 3.92 3.72 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 0.00 0.00 0.00 0.00 18 A 7.21 3.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.15 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 20 G 7.03 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 0.00 0.00 0.00 21 D 7.45 4.38 0.00 2.60 2.43 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 22 F 7.92 4.37 0.00 3.13 3.10 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 0.00 0.00 0.00 23 D 8.25 4.56 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 24 A 8.20 4.01 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 25 E 8.46 3.86 0.00 1.99 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 0.00 2.16 2.06 0.00 26 H 7.98 5.21 0.00 3.53 3.45 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.86 4.35 0.00 2.63 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 28 I 7.50 3.77 1.52 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.31 -0.25 0.00 0.00 29 Y 7.29 4.81 0.00 2.88 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 30 D 8.95 4.56 0.00 2.79 2.62 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 31 D 8.98 4.39 0.00 2.86 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 32 D 8.64 4.94 0.00 2.74 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 33 A 7.75 4.43 1.43 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 34 I 8.48 4.84 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.88 0.00 0.00 35 C 8.87 5.28 0.00 2.87 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 36 D 9.04 5.16 0.00 2.65 2.52 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 37 Y 8.57 5.20 0.00 2.88 2.82 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 38 P 0.00 4.36 0.00 2.06 2.15 0.00 3.07 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 1.87 2.06 0.00 39 Q 8.13 4.30 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 40 S 7.60 4.58 0.00 4.12 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 41 G 8.22 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 42 E 7.74 4.47 0.00 2.11 1.87 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 2.34 2.34 0.00 43 R 8.42 4.86 0.00 1.78 1.70 0.00 3.16 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 44 I 8.70 4.39 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.32 0.81 0.00 0.00 45 L 8.70 4.64 0.00 1.45 1.53 0.88 0.99 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 46 G 9.38 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 47 R 8.54 3.87 0.00 2.05 1.90 0.00 3.34 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 *49 N 8.27 4.59 0.00 3.02 2.82 0.00 0.00 6.65 6.74 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 50 L 8.00 3.84 0.00 1.66 1.58 0.88 -0.04 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 51 Q 8.02 3.51 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 52 A 7.74 3.90 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 53 L 8.00 3.92 0.00 1.74 1.75 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.09 4.04 0.00 2.01 2.15 0.00 3.40 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 55 S 7.66 2.88 0.00 3.67 3.32 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 56 H 7.43 4.32 0.00 3.16 3.46 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.58 4.56 0.00 3.00 3.11 0.00 5.99 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 58 P 0.00 3.76 0.00 1.22 1.40 0.00 3.92 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 59 G 7.73 3.97 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 0.00 0.00 0.00 60 K 9.06 4.15 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 61 P 0.00 3.49 0.00 2.34 2.05 0.00 3.88 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 62 A 7.56 4.16 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 63 G 7.49 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 64 F 8.60 5.26 0.00 3.03 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 65 E 8.23 4.70 0.00 2.01 1.57 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 2.14 2.24 0.00 66 V 8.44 3.86 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 0.76 0.00 0.00 0.91 0.00 0.00 67 R 8.95 4.26 0.00 1.79 1.98 0.00 3.41 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 68 R 7.47 4.65 0.00 1.89 1.70 0.00 3.17 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 69 I 8.53 5.21 2.06 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 1.32 0.00 0.00 70 Q 8.94 4.71 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 71 G 7.68 2.29 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 0.00 72 E 7.73 4.59 0.00 1.78 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 2.11 2.20 0.00 73 G 9.34 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 74 N 9.15 5.07 0.00 2.88 3.18 0.00 0.00 6.32 6.74 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 75 L 8.07 5.11 0.00 1.78 1.55 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.91 5.31 0.00 3.65 3.31 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 77 I 9.21 5.28 1.96 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 1.32 1.75 0.93 0.00 0.00 78 T 9.42 5.16 4.45 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 0.52 0.00 0.00 79 E 9.21 5.22 0.00 1.87 1.85 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 2.24 2.25 0.00 80 Y 8.50 4.97 0.00 2.46 2.40 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 81 S 8.79 5.06 0.00 3.43 3.41 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 82 I 8.17 5.11 2.04 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.29 1.17 0.00 0.00 83 S 8.74 5.10 0.00 3.77 3.56 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 84 Y 8.18 4.84 0.00 2.96 2.77 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 0.00 0.00 0.00 85 N 9.87 4.34 0.00 2.94 2.95 0.00 0.00 7.08 7.65 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 86 G 8.53 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 87 R 8.05 4.63 0.00 1.90 1.89 0.00 3.12 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 88 P 0.00 4.85 0.00 1.83 1.92 0.00 3.71 0.00 0.00 3.75 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 89 A 8.84 4.90 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 90 Y 9.09 4.09 0.00 3.00 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 91 T 8.72 4.87 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 0.68 0.00 0.00 92 V 8.37 4.79 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 1.02 0.00 0.00 0.90 0.00 0.00 93 S 9.59 5.34 0.00 4.43 4.22 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 94 I 8.92 5.15 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 1.01 0.00 0.00 *96 E 8.37 4.78 0.00 2.03 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 2.39 2.44 0.00 97 F 9.32 5.30 0.00 3.14 2.99 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 0.00 0.00 0.00 0.00 98 R 9.02 4.62 0.00 1.92 1.81 0.00 3.39 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 99 N 10.14 4.00 0.00 2.85 2.89 0.00 0.00 7.23 7.65 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 0.00 100 G 8.88 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 0.00 101 K 7.89 4.69 0.00 1.75 1.69 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 102 V 8.06 3.48 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 0.96 0.00 0.00 -0.28 0.00 0.00 103 V 9.22 4.19 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 0.70 0.00 0.00 0.97 0.00 0.00 104 H 8.06 5.34 0.00 3.10 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.74 5.13 0.00 2.24 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 2.41 2.48 0.00 106 T 9.18 5.13 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 1.20 0.00 0.00 107 Q 9.11 5.26 0.00 2.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 108 Y 8.59 4.77 0.00 2.84 2.76 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 0.00 109 F 9.97 5.11 0.00 2.80 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 0.00 110 S 9.37 5.03 0.00 3.91 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 0.00 111 D 8.70 5.10 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 112 P 0.00 4.42 0.00 2.13 2.16 0.00 3.74 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 113 F 7.57 5.08 0.00 3.01 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 0.00 114 E 8.91 4.08 0.00 2.08 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 2.38 2.30 0.00 115 A 8.49 4.10 1.19 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 0.00 116 P 0.00 4.58 0.00 2.23 2.18 0.00 3.55 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 117 G 8.89 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 0.00 118 W 8.46 4.38 0.00 3.61 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 0.00 119 R 6.86 4.63 0.00 1.54 0.66 0.00 2.42 0.00 0.00 2.55 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 120 S 7.92 3.97 0.00 3.94 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 0.00 121 Q 7.53 3.84 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 122 W 7.95 4.81 0.00 3.46 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 0.00 123 V 7.45 4.49 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 0.68 0.00 0.00 0.90 0.00 0.00 124 Q 8.40 4.29 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 125 Q 8.53 4.29 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 126 I 8.25 4.18 1.85 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 1.30 0.78 0.88 0.00 0.00 127 G 8.07 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 * Residues marked with a * may have inaccurate shift predictions.