NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6190 8.5298 119.6735 55.7828 33.2684 174.3678 2 N 4.4611 7.2291 119.6274 49.8301 41.3647 173.4832 3 I 3.5561 9.1476 120.4538 64.3135 38.1773 178.8186 4 F 3.9964 8.1286 117.9966 60.6228 38.9935 177.3956 5 E 4.0182 8.5730 118.2522 59.3428 29.1776 179.1462 6 M 3.6325 7.9552 118.3474 58.7000 32.2868 178.4571 7 L 3.9900 7.9586 118.9830 57.5397 41.6967 179.4998 8 R 3.6989 8.2151 118.9867 59.2290 29.7202 178.7205 9 I 3.7716 7.4880 118.7994 64.5566 37.2508 177.8914 10 D 4.5860 8.1422 118.5100 56.5980 40.7581 177.7157 11 E 4.5397 8.5013 117.6816 55.0760 30.9014 177.1316 12 G 3.8439 8.2626 107.9543 44.4411 0.0000 171.7380 13 L 4.8590 8.0214 118.9755 53.1817 44.7017 175.5674 14 R 4.6850 8.7782 124.0176 54.6616 34.1029 175.7112 15 L 4.5661 8.7497 121.2808 54.8967 43.0677 175.9905 16 K 5.3202 7.7249 117.3339 53.0076 35.5609 175.9995 17 I 4.1786 8.5213 123.0100 62.6205 37.6916 174.7696 18 Y 5.0931 9.2028 123.6014 55.5736 42.2615 173.6302 19 K 4.8462 8.7266 118.9579 55.0873 33.8168 177.2711 20 D 4.8875 8.6271 124.7292 52.4741 41.3755 176.8935 21 T 3.8459 8.4963 108.1014 64.6360 68.6536 174.5947 22 E 4.0495 8.2695 119.4249 56.0519 29.7417 176.7945 23 G 3.6827 8.2400 107.7903 45.3139 0.0000 172.8752 24 Y 4.7172 8.0662 118.0028 56.3179 40.0617 174.8454 25 Y 4.7060 8.3916 121.0184 59.0629 39.0925 175.4853 26 T 5.0727 9.0051 120.0830 62.1838 73.6801 172.5630 27 I 4.9100 8.4912 122.8239 59.6898 42.5079 176.7586 28 G 3.9601 9.4704 114.9179 47.3053 0.0000 176.6879 29 I 4.9662 7.7973 118.4054 59.0193 35.6595 174.9636 30 G 3.9950 8.2521 108.6200 46.6748 0.0000 171.4313 31 H 4.4313 8.3078 121.1129 54.0747 29.1947 174.1939 32 L 4.2634 8.0894 129.6385 55.2602 42.5894 176.4342 33 L 4.2963 8.7803 126.9760 56.7429 42.3012 176.7490 34 T 4.3149 7.2422 108.2495 61.4214 69.7119 172.9286 35 K 3.6954 8.2807 123.8278 56.6433 32.6766 177.5324 36 S 4.2615 7.8338 114.8690 57.6012 62.6449 172.5751 37 P 4.4102 0.0000 0.0000 64.5227 31.6613 176.8482 38 S 4.4698 7.9934 114.2926 57.4199 63.2065 174.3867 39 L 3.1604 8.5711 130.8997 57.8330 41.8050 178.5430 40 N 4.2729 8.0302 116.1167 55.9901 38.6619 177.0126 41 A 3.9402 7.8968 121.5761 55.0128 18.3790 179.5899 42 A 3.9550 7.7678 119.3644 55.1556 18.4345 180.0326 43 K 3.8830 8.0569 117.2446 59.4200 32.0736 179.5836 44 S 4.0700 8.3239 113.8369 61.4764 62.2704 176.0928 45 E 3.9827 8.2462 121.3032 59.1109 29.0714 179.1418 46 L 3.9395 7.9652 120.4358 58.3541 42.1314 178.7934 47 D 4.5301 8.1192 120.1466 56.6114 40.5027 178.5058 48 K 3.8629 7.7899 118.8935 59.7249 32.2295 178.3593 49 A 4.1292 8.0958 119.9192 54.8556 18.3696 179.0015 50 I 4.1113 8.0023 117.1772 61.2930 37.6332 177.0332 51 G 3.8942 10.1915 108.2578 45.4031 0.0000 172.7878 52 R 4.4838 7.3498 114.2275 54.3187 32.2348 173.7755 53 N 4.7618 8.5204 117.4360 53.3861 38.0141 174.0265 54 T 4.1650 9.6303 117.3796 61.2461 69.8790 175.2193 55 N 4.3127 8.9276 118.6210 54.5498 37.2793 174.3620 56 G 3.9274 8.2374 101.9785 45.3780 0.0000 173.6231 57 V 4.8301 7.6286 118.1910 60.7403 34.1514 174.6438 58 I 4.9590 8.6992 120.0746 59.2442 41.2239 174.6534 59 T 4.3457 8.7704 113.3428 60.5246 70.5640 175.9939 60 K 3.9530 8.6657 122.0455 59.8853 32.1939 178.4180 61 D 4.3705 8.0772 118.6140 57.2663 40.7536 178.4761 62 E 4.0028 8.1834 118.6963 59.1860 29.4402 179.1313 63 A 4.0570 8.1224 120.8517 55.3965 18.4190 179.6399 64 E 4.2289 8.5926 117.2297 59.1270 29.4985 179.5129 65 K 3.9854 8.2834 120.0676 59.5221 32.2226 178.8291 66 L 4.0607 8.0852 119.3248 57.6676 41.4644 179.3720 67 F 4.6722 8.3905 120.6332 61.5635 39.4116 176.7097 68 N 4.4448 8.5843 116.3990 56.7431 38.3591 177.2992 69 Q 4.0513 8.2722 119.0671 59.2458 28.8402 178.8030 70 D 4.4073 8.5757 120.0601 57.2078 40.7607 179.0696 71 V 3.6349 8.0872 118.9934 65.8784 31.4512 177.4493 72 D 4.2975 8.1050 117.6397 57.5574 41.0299 178.3016 73 A 3.9792 8.2863 120.9305 54.8577 18.2955 179.5533 74 A 3.8961 8.0272 119.5826 55.1612 18.4708 179.9445 75 V 3.3737 7.9945 117.0525 66.3954 31.7767 178.6270 76 R 4.0394 8.2298 117.7539 58.7601 29.5777 179.3211 77 G 3.9533 7.8702 106.6447 47.4140 0.0000 175.4485 78 I 3.7936 7.7068 122.4167 64.1905 36.9542 178.5626 79 L 4.0423 7.5605 117.5989 56.6659 41.5180 178.5909 80 R 4.3881 7.5479 115.7665 54.9266 30.9666 175.2977 81 N 4.7321 7.5667 119.1643 51.9863 40.0815 175.7270 82 A 4.0332 8.5477 127.3565 54.9152 18.6230 179.3804 83 K 4.1238 8.5693 116.9945 58.9196 32.4554 178.9205 84 L 4.3091 7.8912 118.5491 56.8626 42.0831 178.5644 85 K 3.8913 8.1591 119.7311 59.3906 31.8716 176.9559 86 P 4.3571 0.0000 0.0000 65.4494 31.6295 178.5527 87 V 3.7667 7.7591 116.7165 66.0681 31.7475 177.1311 88 Y 4.0590 8.2597 119.3849 61.0992 38.4284 178.0408 89 D 4.5000 8.5809 118.8560 57.1002 40.9685 178.3617 90 S 4.3676 7.7862 112.8544 59.0583 63.6669 174.4457 91 L 4.5004 6.8940 122.2414 53.6468 42.6734 176.5982 92 D 4.6013 8.2549 121.0880 52.6993 41.5388 177.3152 93 A 3.8528 8.2222 121.2383 55.1789 18.5173 179.6777 94 V 3.2469 7.5274 116.2084 66.1360 31.7505 178.4325 95 R 3.6178 8.0257 117.6424 58.9271 29.7304 179.1286 96 R 3.8133 8.0813 118.1635 59.1517 29.9323 178.8319 97 A 3.9712 7.6558 120.0977 55.0646 18.3631 179.5502 98 A 3.6866 7.4001 118.8378 54.9925 18.2971 179.4847 99 L 4.1658 7.7333 118.7007 58.2839 42.1921 179.2301 100 I 3.7413 8.1080 120.0928 64.2543 37.0664 177.6285 101 N 4.2708 8.2518 117.9115 57.2638 38.6925 176.6924 102 M 3.9431 7.9878 119.7705 58.3907 31.9747 179.0157 103 V 3.5362 7.8818 118.4273 65.7985 31.4755 177.7666 104 F 4.0444 8.5272 120.0037 61.3898 39.2716 176.6428 105 Q 4.3450 8.3304 118.3272 58.4786 29.1125 176.2384 106 M 4.5641 8.1811 113.1962 54.0098 32.6609 176.5876 107 G 4.0812 8.4951 105.1716 45.9776 0.0000 174.6715 108 E 3.9294 8.6256 118.4199 59.6474 29.2187 179.8133 109 T 3.9790 7.9166 114.0416 66.5642 68.7796 176.3128 110 G 3.8357 8.0314 106.9914 48.0545 0.0000 175.7940 111 V 3.5715 7.9314 120.8813 65.2700 31.3038 177.7877 112 A 4.2344 8.3300 119.9999 54.1881 18.2920 178.9308 113 G 3.8510 7.7697 102.2728 44.7466 0.0000 173.2520 114 F 4.4881 8.2355 121.9114 55.9320 40.5984 176.2532 *116 N 4.6678 8.6641 122.7504 53.4754 40.6147 177.0495 117 S 4.1976 7.9958 113.7337 61.4903 62.8576 176.5387 118 L 3.9420 8.3515 122.2314 57.6247 41.3079 179.4601 119 R 3.8524 7.9226 118.3134 59.6917 30.0622 178.3474 120 M 4.0097 7.9399 118.1225 58.2311 31.8672 178.7697 121 L 3.9590 7.9620 119.3545 57.8065 41.5812 179.2880 122 Q 3.9683 8.0300 118.6406 59.1285 29.0807 177.7707 123 Q 4.0069 7.7070 116.9660 55.8056 28.9672 176.1261 124 K 2.0000 7.2364 118.2553 57.3797 29.8973 177.9221 125 R 4.0538 6.8965 119.5804 54.5422 27.7740 176.4557 126 W 4.4941 7.4939 122.9072 59.8337 29.7802 177.4521 127 D 4.4518 8.2048 118.3843 57.5344 40.4229 178.5948 128 E 4.0248 8.1924 118.4154 59.0677 29.4768 179.0063 129 A 3.9840 8.5163 121.2641 55.1658 18.1982 179.5072 130 A 4.0966 8.3233 119.3921 55.2989 18.1910 180.1021 131 V 3.5121 7.5461 115.7407 66.1109 31.9199 177.5147 132 N 4.4582 8.1563 116.7213 56.6983 38.5857 176.8790 133 L 4.3991 8.3415 119.7387 57.6940 41.8228 178.8396 134 A 3.9429 7.6024 118.9065 52.8878 19.6372 178.3911 135 K 4.3091 7.4755 118.9616 54.1312 30.9611 176.5332 136 S 4.6778 7.5657 115.2219 55.9128 67.2213 175.5154 137 R 3.9808 8.7065 123.3129 59.3319 29.8086 178.3067 138 W 4.5661 8.6670 127.8385 61.1760 30.3156 177.1996 139 Y 3.5616 8.4145 119.0566 60.6382 37.9925 177.5678 140 N 4.3704 8.0052 116.1751 56.0197 38.7013 177.1513 141 Q 4.2624 8.3732 119.5261 57.4313 30.6011 176.6161 142 T 4.5523 7.7117 109.4951 58.5072 68.5821 172.4812 143 P 3.6075 0.0000 0.0000 65.9240 31.6214 178.5009 144 N 4.2064 7.7788 115.7931 55.9876 38.5827 177.2712 145 R 3.8751 7.7663 119.4782 59.1988 30.2447 178.1990 146 A 3.4330 7.8551 120.9065 54.7925 18.0671 179.7281 147 K 4.0230 8.2533 117.4482 59.6791 31.9568 179.8150 148 R 3.8101 7.7183 118.4035 59.0652 29.9042 179.3328 149 V 3.7437 8.0683 118.1157 66.0662 31.5674 178.1026 150 I 4.1217 8.4221 120.0597 65.0313 37.0240 178.5797 151 T 3.9166 8.4421 116.7887 66.8037 68.1123 176.9436 152 T 3.7725 7.6926 117.7217 66.5593 68.2354 176.9000 153 F 4.1559 7.9716 118.7390 60.4268 38.9614 177.4625 154 R 4.1871 8.3292 118.2179 58.9871 30.0425 177.7721 155 T 4.2881 7.8430 107.4471 60.6917 69.6928 175.5681 156 G 3.5031 7.7321 109.0321 45.9591 0.0000 172.6947 157 T 4.4117 7.2824 108.3093 59.3561 71.7158 173.4274 158 W 4.8532 8.3325 117.9575 56.8034 28.9235 178.4407 159 D 4.3854 8.1369 121.6989 57.2291 40.3089 178.4967 160 A 4.1563 8.0994 120.2472 53.9929 18.6582 177.3647 161 Y 4.3382 8.0818 112.1888 57.7506 38.9621 176.2137 162 K 3.7646 7.5748 120.2228 58.3172 32.6344 176.1023 163 N 4.1486 8.8357 118.3326 53.6608 35.4849 174.0069 164 L 4.2178 7.6042 123.8831 55.9111 42.8514 176.0663 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 M 8.53 4.62 0.00 0.53 1.43 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 2 N 7.23 4.46 0.00 3.08 2.80 0.00 0.00 5.62 6.81 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 3 I 9.15 3.56 1.80 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 1.43 0.80 0.53 0.00 0.00 4 F 8.13 4.00 0.00 3.31 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.02 0.00 1.94 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 2.42 0.00 6 M 7.96 3.63 0.00 2.02 1.72 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 1.35 2.25 0.00 7 L 7.96 3.99 0.00 1.87 1.49 0.34 0.36 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 8 R 8.22 3.70 0.00 1.90 2.15 0.00 2.98 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 9 I 7.49 3.77 2.19 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.08 0.00 0.00 10 D 8.14 4.59 0.00 2.75 2.85 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 11 E 8.50 4.54 0.00 1.94 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 2.39 2.51 0.00 12 G 8.26 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 0.00 0.00 0.00 13 L 8.02 4.86 0.00 1.45 1.45 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.78 4.69 0.00 1.46 1.63 0.00 2.56 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.00 15 L 8.75 4.57 0.00 1.61 1.89 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.72 5.32 0.00 1.67 1.72 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.30 7.81 17 I 8.52 4.18 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.47 0.91 0.00 0.00 18 Y 9.20 5.09 0.00 3.03 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 19 K 8.73 4.85 0.00 1.66 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.44 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.92 1.35 7.81 20 D 8.63 4.89 0.00 2.93 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 21 T 8.50 3.85 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 1.27 0.00 0.00 22 E 8.27 4.05 0.00 1.59 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 23 G 8.24 3.68 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 0.00 0.00 0.00 24 Y 8.07 4.72 0.00 2.95 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 25 Y 8.39 4.71 0.00 2.99 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 26 T 9.01 5.07 3.21 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 1.11 0.00 0.00 27 I 8.49 4.91 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.59 0.99 0.00 0.00 28 G 9.47 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 0.00 0.00 0.00 29 I 7.80 4.97 1.29 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.14 0.00 0.00 30 G 8.25 3.99 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 0.00 0.00 0.00 31 H 8.31 4.43 0.00 3.37 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.09 4.26 0.00 1.54 1.42 0.99 0.89 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 33 L 8.78 4.30 0.00 1.84 1.71 0.93 0.76 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 34 T 7.24 4.31 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 1.30 0.00 0.00 35 K 8.28 3.70 0.00 1.46 1.45 0.00 1.44 0.00 0.00 1.30 0.00 0.00 2.26 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.21 7.81 36 S 7.83 4.26 0.00 3.86 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 37 P 0.00 4.41 0.00 2.15 2.15 0.00 3.78 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 2.07 2.12 0.00 38 S 7.99 4.47 0.00 3.91 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 39 L 8.57 3.16 0.00 1.63 1.55 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.03 4.27 0.00 2.83 2.81 0.00 0.00 7.05 7.59 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 41 A 7.90 3.94 1.35 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 42 A 7.77 3.96 1.15 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 0.00 0.00 0.00 0.00 0.00 43 K 8.06 3.88 0.00 1.94 1.82 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.33 7.81 44 S 8.32 4.07 0.00 3.92 3.99 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 45 E 8.25 3.98 0.00 2.18 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 2.53 2.58 0.00 46 L 7.97 3.94 0.00 1.85 1.81 0.94 1.14 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 47 D 8.12 4.53 0.00 2.73 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 48 K 7.79 3.86 0.00 1.84 2.11 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 49 A 8.10 4.13 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 50 I 8.00 4.11 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 1.61 0.90 0.94 0.00 0.00 51 G 10.19 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 52 R 7.35 4.48 0.00 1.95 2.00 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 N 8.52 4.76 0.00 2.70 2.81 0.00 0.00 6.94 7.70 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 54 T 9.63 4.16 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 1.29 0.00 0.00 55 N 8.93 4.31 0.00 2.83 2.90 0.00 0.00 6.98 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 56 G 8.24 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 57 V 7.63 4.83 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 0.85 0.00 0.00 0.94 0.00 0.00 58 I 8.70 4.96 1.99 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 1.42 0.88 0.93 0.00 0.00 59 T 8.77 4.35 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 1.26 0.00 0.00 60 K 8.67 3.95 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.08 4.37 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.18 4.00 0.00 2.22 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 2.34 2.34 0.00 63 A 8.12 4.06 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 64 E 8.59 4.23 0.00 2.08 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 2.49 2.39 0.00 65 K 8.28 3.99 0.00 1.96 1.96 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 66 L 8.09 4.06 0.00 1.99 1.71 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.39 4.67 0.00 3.25 3.37 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 68 N 8.58 4.44 0.00 2.97 2.91 0.00 0.00 7.10 8.30 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 69 Q 8.27 4.05 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 70 D 8.58 4.41 0.00 3.23 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 71 V 8.09 3.63 1.73 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 0.50 0.00 0.00 0.19 0.00 0.00 72 D 8.10 4.30 0.00 2.98 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 73 A 8.29 3.98 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 74 A 8.03 3.90 1.45 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 0.00 0.00 75 V 7.99 3.37 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 0.93 0.00 0.00 0.90 0.00 0.00 76 R 8.23 4.04 0.00 1.86 1.93 0.00 3.35 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 77 G 7.87 3.95 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 78 I 7.71 3.79 1.70 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 0.83 0.53 0.00 0.00 79 L 7.56 4.04 0.00 1.55 1.67 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.55 4.39 0.00 1.78 1.94 0.00 3.13 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 81 N 7.57 4.73 0.00 2.83 2.76 0.00 0.00 7.02 7.04 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 82 A 8.55 4.03 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 83 K 8.57 4.12 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 84 L 7.89 4.31 0.00 1.67 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.16 3.89 0.00 2.02 1.84 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.52 7.81 86 P 0.00 4.36 0.00 2.08 2.13 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 87 V 7.76 3.77 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 1.09 0.00 0.00 1.03 0.00 0.00 88 Y 8.26 4.06 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 89 D 8.58 4.50 0.00 2.78 2.78 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 0.00 0.00 0.00 90 S 7.79 4.37 0.00 4.10 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 0.00 91 L 6.89 4.50 0.00 1.69 1.60 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.25 4.60 0.00 2.86 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 93 A 8.22 3.85 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 94 V 7.53 3.25 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 -0.18 0.00 0.00 0.62 0.00 0.00 95 R 8.03 3.62 0.00 1.77 2.00 0.00 2.69 0.00 0.00 2.60 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 96 R 8.08 3.81 0.00 1.81 1.73 0.00 2.82 0.00 0.00 2.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.40 0.00 97 A 7.66 3.97 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 98 A 7.40 3.69 0.09 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 0.00 0.00 99 L 7.73 4.17 0.00 2.09 2.04 1.04 1.17 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 0.00 100 I 8.11 3.74 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.89 0.00 0.00 101 N 8.25 4.27 0.00 2.89 3.04 0.00 0.00 7.26 7.24 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 0.00 102 M 7.99 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 120 M 7.94 4.01 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.53 0.00 121 L 7.96 3.96 0.00 1.81 1.81 0.21 0.68 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 0.00 122 Q 8.03 3.97 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 123 Q 7.71 4.01 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.37 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 124 K 7.24 2.00 0.00 1.50 1.18 0.00 1.70 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.05 1.21 7.81 125 R 6.90 4.05 0.00 1.71 2.15 0.00 3.00 0.00 0.00 3.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 126 W 7.49 4.49 0.00 3.35 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 0.00 127 D 8.20 4.45 0.00 2.81 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 0.00 128 E 8.19 4.02 0.00 2.02 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 2.43 0.00 129 A 8.52 3.98 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 0.00 130 A 8.32 4.10 1.47 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 0.00 131 V 7.55 3.51 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 0.81 0.00 0.00 0.93 0.00 0.00 132 N 8.16 4.46 0.00 2.84 2.95 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.34 4.40 0.00 1.99 2.19 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.60 3.94 0.62 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 0.00 0.00 135 K 7.48 4.31 0.00 1.86 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.55 7.81 136 S 7.57 4.68 0.00 4.26 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 0.00 137 R 8.71 3.98 0.00 1.98 2.11 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 138 W 8.67 4.57 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.41 3.56 0.00 3.08 3.19 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 0.00 140 N 8.01 4.37 0.00 2.94 2.90 0.00 0.00 7.09 7.27 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 0.00 141 Q 8.37 4.26 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.21 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 142 T 7.71 4.55 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 1.25 0.00 0.00 143 P 0.00 3.61 0.00 1.90 1.84 0.00 3.74 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 1.87 1.71 0.00 144 N 7.78 4.21 0.00 2.69 2.81 0.00 0.00 6.79 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 0.00 145 R 7.77 3.88 0.00 1.89 1.92 0.00 3.34 0.00 0.00 3.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 146 A 7.86 3.43 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.02 0.00 1.84 1.87 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.59 7.81 148 R 7.72 3.81 0.00 1.83 1.41 0.00 2.21 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 0.00 149 V 8.07 3.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.26 0.00 0.00 150 I 8.42 4.12 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.93 1.04 0.00 0.00 151 T 8.44 3.92 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 1.21 0.00 0.00 152 T 7.69 3.77 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 0.77 0.00 0.00 153 F 7.97 4.16 0.00 3.27 3.07 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 0.00 154 R 8.33 4.19 0.00 1.91 2.00 0.00 3.45 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 155 T 7.84 4.29 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 1.21 0.00 0.00 156 G 7.73 3.50 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 0.00 157 T 7.28 4.41 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 1.20 0.00 0.00 158 W 8.33 4.85 0.00 3.47 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 0.00 159 D 8.14 4.39 0.00 2.80 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 0.00 160 A 8.10 4.16 1.13 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 0.00 0.00 161 Y 8.08 4.34 0.00 3.27 3.08 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 0.00 162 K 7.57 3.76 0.00 1.93 1.83 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.46 7.81 163 N 8.84 4.15 0.00 2.96 2.86 0.00 0.00 5.94 7.79 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 0.00 164 L 7.60 4.22 0.00 1.94 1.58 0.94 0.89 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 * Residues marked with a * may have inaccurate shift predictions.