NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2746 8.2027 121.9663 55.7119 31.6567 173.6572 2 V 3.7874 7.5632 118.2262 61.8412 31.8510 173.7573 3 Q 4.7598 10.2612 127.7542 54.2802 34.0998 173.7154 4 L 5.3207 8.3882 120.4253 53.3393 46.5135 175.3861 5 Q 4.8068 8.9721 121.3593 54.3376 32.7427 174.4236 6 E 4.9788 8.9909 123.5356 56.2031 31.1938 176.3088 7 S 4.6804 9.4742 118.5237 57.0652 66.4505 173.5727 8 G 4.3406 8.5124 110.2093 43.9755 0.0000 171.5525 9 P 4.3480 0.0000 0.0000 63.7197 31.7229 177.8119 10 G 4.3250 8.7239 112.5564 45.4081 0.0000 173.6136 11 L 5.4715 7.2231 120.2878 51.6783 45.4146 179.1483 12 V 4.1887 7.8484 121.9935 60.9587 35.6280 175.0152 *17 S 4.2797 8.6769 117.2668 60.1533 63.4064 170.4785 18 L 4.1250 9.0774 131.0006 55.1562 43.4657 177.3528 19 S 4.7139 8.1883 122.0084 58.2269 65.2471 174.2498 20 I 4.7214 8.6643 127.3823 58.8168 40.2555 175.0753 21 T 5.1921 9.3782 122.7727 61.9919 71.6191 172.5743 22 C 5.3417 9.6233 126.1832 55.3589 47.1962 172.4648 23 T 4.9083 8.9540 124.6734 62.2735 69.7512 174.8071 24 V 5.0435 8.0441 119.5923 59.9162 35.0589 174.8729 25 S 4.2810 8.8263 114.8969 58.5442 66.1291 175.9336 26 G 3.9689 10.8773 109.0242 46.4178 0.0000 172.8489 27 F 4.6720 6.8756 111.7721 56.1479 40.3425 172.8843 28 S 4.5348 8.4714 115.8694 56.6193 63.6511 174.9897 29 L 4.3207 8.2641 127.0644 57.2426 41.6733 179.1015 30 T 4.2918 7.2886 107.6497 62.9107 68.9424 175.5239 31 G 3.8625 8.0516 109.2301 45.6430 0.0000 172.6457 32 Y 4.7488 7.7621 115.8986 56.2071 42.3610 174.9705 33 G 3.9206 8.4460 108.4079 45.3625 0.0000 172.9205 34 V 4.6776 8.2893 119.4822 61.0492 34.6355 174.2108 35 N 5.1751 8.9169 125.4561 51.5142 41.4076 173.8315 36 W 5.0809 8.4961 121.2011 54.9779 32.0531 175.0900 37 V 5.0455 9.4048 124.4218 61.1228 34.8934 174.2166 38 R 5.0580 8.9329 122.1957 54.6058 33.5308 174.5123 39 Q 4.8512 8.7273 120.7330 54.0224 31.7187 172.1372 40 P 4.7941 0.0000 0.0000 61.5774 32.9379 174.3713 41 P 4.2400 0.0000 0.0000 64.6141 31.5547 176.1604 42 G 4.0340 8.8604 109.2668 46.1829 0.0000 173.0062 43 K 4.7003 8.2974 120.0496 54.5848 34.2373 175.2222 44 G 4.0631 8.2100 108.7198 44.5960 0.0000 172.2727 45 L 4.6944 8.1714 118.9056 54.2998 42.7792 176.5757 46 E 4.7826 9.2395 123.8320 53.9519 32.6980 174.5243 47 W 4.6228 9.1486 135.0000 57.8236 31.1818 175.1161 48 L 4.3247 8.7831 127.1315 54.8796 43.3513 176.7260 49 G 2.8339 5.7900 102.7159 46.6482 0.0000 170.7510 50 M 5.1605 7.6818 115.8986 54.1370 35.3307 173.7011 51 I 4.8675 8.2260 119.5156 58.9246 41.1148 175.3669 52 W 4.5591 9.6468 130.1993 55.9614 29.4624 177.5973 53 G 4.0979 8.9522 108.6104 48.4453 0.0000 174.7507 54 D 4.7078 8.2627 116.9801 53.2239 39.4718 177.2505 55 G 4.0798 8.2268 109.5062 45.6672 0.0000 174.2139 56 N 4.8477 8.4823 117.5868 53.6429 39.7050 174.2621 57 T 5.2737 8.4621 110.3479 60.4218 72.2828 172.6613 58 D 5.0004 8.5146 121.0818 53.3416 45.7773 173.9792 59 Y 5.2127 8.6102 117.4491 55.7507 42.7754 174.6029 60 N 4.6761 9.2397 120.4616 54.6417 39.4426 175.5732 61 S 4.2226 9.4305 122.6587 61.9204 63.1525 175.9123 62 A 4.1611 8.2433 120.8478 54.4782 18.3966 177.9615 63 L 4.4892 8.3279 114.1363 54.5148 43.1167 178.2658 64 K 3.6091 8.3249 121.5730 59.5251 31.9988 178.5560 65 S 4.1897 8.0197 110.6121 60.3225 63.2169 174.4721 66 R 4.7084 8.0768 119.3174 55.1557 31.3377 175.5918 67 L 5.1818 7.3796 118.6575 52.9166 44.7947 176.2784 68 S 4.5286 9.0179 116.6448 57.1265 65.6856 172.5277 69 I 5.2483 9.4742 128.9452 59.7526 39.5397 175.1183 70 S 4.9853 9.0538 120.0948 57.6043 67.1429 172.2886 71 K 4.8715 8.4462 117.8976 56.2915 35.6376 175.2361 72 D 4.6980 9.2305 120.2466 51.7688 42.6342 175.3248 73 N 4.2768 9.0523 124.0950 56.4814 38.4736 177.0465 74 S 4.2648 7.8525 113.4402 60.2942 63.0659 175.6314 75 K 4.3907 7.8036 119.8167 54.6538 33.4695 176.1548 76 S 3.5908 7.8175 115.1047 59.8217 61.1021 171.7017 77 Q 4.9407 7.3541 116.7109 54.0271 33.4903 176.0702 78 V 4.5815 8.2304 121.4372 61.0334 35.2492 174.2265 79 F 5.6364 9.6513 125.1572 55.6224 42.8775 173.7046 80 L 4.6129 8.7475 124.1178 52.9534 44.5328 175.1252 81 K 4.9166 8.9281 125.4849 54.7269 35.7356 174.8799 82 M 5.7073 8.7495 124.1353 52.8690 35.2996 174.0011 83 N 4.9073 8.6540 122.7789 50.6625 40.9641 174.0116 84 S 3.8005 8.1604 111.9118 59.6403 59.7832 172.9778 85 L 4.3067 7.4156 119.0439 55.0261 42.8311 176.7144 86 H 5.1367 9.5310 118.9006 53.7634 33.2697 174.4604 87 T 3.9505 8.7081 110.1981 65.4069 68.1317 175.5482 88 D 4.5884 8.1234 118.3046 55.5572 40.7691 176.2178 89 D 4.7659 8.2672 118.9599 54.6223 41.4923 176.7467 90 T 4.3450 8.0057 117.5325 63.8120 68.9669 173.7296 91 A 4.2917 8.5535 127.2328 51.9152 23.9302 174.2954 92 R 4.7794 8.1148 119.6280 55.6585 31.7530 174.6350 93 Y 4.9557 9.1121 124.3860 56.5716 40.4315 174.3196 94 Y 5.5855 9.8584 122.0199 56.3300 41.9933 172.1512 95 C 4.8102 9.4517 117.0836 53.4457 41.2840 172.6700 96 A 4.7864 8.3183 122.2578 50.0439 22.6756 175.2296 97 R 4.2036 8.6837 123.0530 55.9944 31.5890 174.6563 98 E 4.7825 8.8773 127.9083 54.5166 31.4790 174.3054 99 R 4.5323 8.8735 128.2500 54.2195 32.1191 175.0560 100 D 4.2948 9.1920 128.9050 55.6067 39.4147 172.3863 101 Y 3.7144 7.6896 107.6763 58.4791 35.5741 170.4185 102 R 4.5296 7.3546 113.5551 55.0673 32.5722 174.3135 103 L 4.9806 8.6439 121.4161 53.1744 40.6664 176.0554 104 D 4.4988 8.3310 123.8734 54.6066 40.4208 176.7292 105 Y 4.7841 7.6187 117.0966 55.9259 41.6893 173.9346 106 W 4.9594 8.8978 123.3833 54.5863 32.3277 175.6547 107 G 4.2757 8.6757 113.4491 45.4207 0.0000 174.6820 108 Q 4.1913 8.5955 116.9463 55.9610 28.3922 175.9957 109 G 3.9213 9.7932 100.5078 46.2775 0.0000 172.6417 110 T 4.7245 8.4733 113.1863 60.2641 70.7412 172.9234 111 T 4.6956 8.6611 119.5270 61.4644 70.1182 173.5965 112 L 5.0199 9.3259 127.2541 53.5095 45.7086 175.0242 113 T 4.8414 8.5793 121.8072 61.5630 71.7970 174.5014 114 V 3.8463 8.1365 125.8706 63.1259 31.5233 175.5027 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 1 Q 8.20 4.27 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 2 V 7.56 3.79 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 0.00 0.00 -0.18 0.00 0.00 0.40 0.00 0.00 3 Q 10.26 4.76 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 4 L 8.39 5.32 0.00 1.55 1.44 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.97 4.81 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 6 E 8.99 4.98 0.00 1.94 2.06 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 2.70 2.53 0.00 7 S 9.47 4.68 0.00 3.74 3.74 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 8 G 8.51 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 9 P 0.00 4.35 0.00 1.98 2.07 0.00 3.56 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 1.92 2.07 0.00 10 G 8.72 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 0.00 0.00 0.00 0.00 11 L 7.22 5.47 0.00 1.61 1.37 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.85 4.19 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 0.85 0.00 0.00 0.93 0.00 0.00 *17 S 8.68 4.28 0.00 3.41 3.77 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 18 L 9.08 4.13 0.00 1.56 1.63 0.66 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.19 4.71 0.00 3.39 3.60 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 20 I 8.66 4.72 1.42 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.27 1.10 0.00 0.00 21 T 9.38 5.19 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 1.25 0.00 0.00 22 C 9.62 5.34 0.00 2.60 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 23 T 8.95 4.91 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 1.16 0.00 0.00 24 V 8.04 5.04 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 0.63 0.00 0.00 0.38 0.00 0.00 25 S 8.83 4.28 0.00 3.79 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 26 G 10.88 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 27 F 6.88 4.67 0.00 2.93 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 28 S 8.47 4.53 0.00 3.89 3.87 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 0.00 29 L 8.26 4.32 0.00 1.83 1.74 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.29 4.29 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 1.23 0.00 0.00 31 G 8.05 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 32 Y 7.76 4.75 0.00 2.91 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 33 G 8.45 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 34 V 8.29 4.68 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 0.47 0.00 0.00 0.90 0.00 0.00 35 N 8.92 5.18 0.00 2.34 2.56 0.00 0.00 6.37 7.69 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 36 W 8.50 5.08 0.00 3.09 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 37 V 9.40 5.05 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 1.33 0.00 0.00 0.93 0.00 0.00 38 R 8.93 5.06 0.00 1.15 1.12 0.00 2.43 0.00 0.00 2.74 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 39 Q 8.73 4.85 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 40 P 0.00 4.79 0.00 2.13 1.97 0.00 3.81 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 2.12 2.12 0.00 41 P 0.00 4.24 0.00 2.05 2.06 0.00 3.85 0.00 0.00 3.78 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 42 G 8.86 4.03 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 0.00 0.00 0.00 43 K 8.30 4.70 0.00 1.79 1.79 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 44 G 8.21 4.06 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 0.00 0.00 0.00 45 L 8.17 4.69 0.00 1.65 1.77 0.87 0.79 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 46 E 9.24 4.78 0.00 2.04 1.79 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 2.29 2.32 0.00 47 W 9.15 4.62 0.00 3.34 3.22 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 48 L 8.78 4.32 0.00 1.71 1.62 0.99 1.01 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 49 G 5.79 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 0.00 0.00 0.00 50 M 7.68 5.16 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.66 0.00 51 I 8.23 4.87 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 0.97 0.00 0.00 52 W 9.65 4.56 0.00 3.56 3.16 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 53 G 8.95 4.10 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 0.00 0.00 0.00 54 D 8.26 4.71 0.00 2.80 2.80 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 55 G 8.23 4.08 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 0.00 0.00 0.00 56 N 8.48 4.85 0.00 2.89 2.81 0.00 0.00 6.33 6.42 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 57 T 8.46 5.27 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 1.40 0.00 0.00 58 D 8.51 5.00 0.00 3.02 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 0.00 59 Y 8.61 5.21 0.00 2.88 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 60 N 9.24 4.68 0.00 3.15 2.86 0.00 0.00 7.55 7.18 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 61 S 9.43 4.22 0.00 3.99 4.01 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 62 A 8.24 4.16 1.37 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 0.00 0.00 0.00 63 L 8.33 4.49 0.00 1.78 1.71 0.97 0.59 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 64 K 8.32 3.61 0.00 2.04 1.86 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.34 1.25 7.81 65 S 8.02 4.19 0.00 3.98 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 66 R 8.08 4.71 0.00 1.83 2.00 0.00 3.33 0.00 0.00 3.25 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 67 L 7.38 5.18 0.00 1.17 1.49 0.99 0.54 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 68 S 9.02 4.53 0.00 3.76 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 69 I 9.47 5.25 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 1.16 0.00 0.00 70 S 9.05 4.99 0.00 4.02 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 71 K 8.45 4.87 0.00 1.90 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.50 7.81 72 D 9.23 4.70 0.00 2.96 2.70 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 73 N 9.05 4.28 0.00 2.78 2.88 0.00 0.00 6.78 7.44 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 74 S 7.85 4.26 0.00 4.03 4.01 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 75 K 7.80 4.39 0.00 1.78 1.86 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.37 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.78 7.81 76 S 7.82 3.59 0.00 3.87 3.74 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 77 Q 7.35 4.94 0.00 1.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 78 V 8.23 4.58 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 1.18 0.00 0.00 0.83 0.00 0.00 79 F 9.65 5.64 0.00 3.03 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 0.00 80 L 8.75 4.61 0.00 0.27 0.13 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.93 4.92 0.00 1.71 1.56 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.29 7.81 82 M 8.75 5.71 0.00 1.85 1.74 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 83 N 8.65 4.91 0.00 2.81 2.86 0.00 0.00 6.25 7.64 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 84 S 8.16 3.80 0.00 4.00 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 85 L 7.42 4.31 0.00 1.59 1.55 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.53 5.14 0.00 3.09 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.71 3.95 4.26 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 1.23 0.00 0.00 88 D 8.12 4.59 0.00 2.75 2.80 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 89 D 8.27 4.77 0.00 2.77 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 90 T 8.01 4.34 4.31 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 1.34 0.00 0.00 91 A 8.55 4.29 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 92 R 8.11 4.78 0.00 1.82 1.67 0.00 2.98 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.31 0.00 93 Y 9.11 4.96 0.00 3.09 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 94 Y 9.86 5.59 0.00 3.13 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 95 C 9.45 4.81 0.00 1.78 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 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.32 4.79 -0.14 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 0.00 0.00 97 R 8.68 4.20 0.00 1.48 1.62 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 0.00 98 E 8.88 4.78 0.00 1.79 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 1.90 2.14 0.00 99 R 8.87 4.53 0.00 2.06 1.87 0.00 3.46 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 100 D 9.19 4.29 0.00 2.80 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 0.00 101 Y 7.69 3.71 0.00 3.25 3.14 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 0.00 102 R 7.35 4.53 0.00 1.96 2.01 0.00 2.97 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 103 L 8.64 4.98 0.00 1.73 1.04 0.47 1.01 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 0.00 104 D 8.33 4.50 0.00 2.55 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 0.00 105 Y 7.62 4.78 0.00 2.83 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 0.00 106 W 8.90 4.96 0.00 3.05 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 0.00 107 G 8.68 4.28 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 0.00 108 Q 8.60 4.19 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 109 G 9.79 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 0.00 110 T 8.47 4.72 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 1.35 0.00 0.00 111 T 8.66 4.70 4.26 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 1.21 0.00 0.00 112 L 9.33 5.02 0.00 1.53 1.52 0.77 0.19 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 0.00 113 T 8.58 4.84 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 1.22 0.00 0.00 114 V 8.14 3.85 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 0.73 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.