NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.2352 8.1731 122.4966 54.3289 43.0891 176.2006 16 G 3.4843 8.8489 113.6826 44.4691 0.0000 170.7690 17 R 4.8347 9.0373 121.1127 55.1419 34.4641 171.3694 18 N 5.4485 8.5628 115.2907 52.2695 41.1850 174.2368 19 H 5.3348 9.1798 118.3211 54.1169 33.4365 172.3734 20 V 5.0350 9.1199 122.4386 61.2463 34.1487 174.4238 21 V 4.9071 9.4382 127.5545 61.2117 34.3878 173.8453 22 L 4.9833 9.0026 128.9124 53.1063 43.6863 175.4319 23 F 4.6205 9.1608 127.7907 57.2590 39.6904 175.9957 24 Q 3.3433 8.0199 127.4930 54.4348 26.7622 173.0434 25 P 4.3871 0.0000 0.0000 63.6067 32.4511 177.3818 26 Q 4.7358 9.6911 119.3332 55.9388 31.0186 175.3240 27 I 4.2472 7.8639 119.3898 58.4135 39.3770 174.1346 28 P 2.9700 0.0000 0.0000 65.2842 31.2117 178.3954 29 A 3.8750 7.7193 118.6738 55.3112 18.2445 179.2668 30 N 4.2686 7.9451 114.3984 56.7800 38.6903 177.6688 31 T 4.0755 7.8128 116.8847 66.4718 68.6707 177.1585 32 G 3.6046 8.2616 107.9103 47.8037 0.0000 175.5908 33 N 4.4452 8.2517 118.8548 56.0827 38.5136 177.5243 34 I 3.6552 7.9046 121.0275 64.3083 37.1222 178.1627 35 A 4.1408 8.1824 121.5539 55.3607 18.2403 179.6594 36 R 4.0189 8.2348 116.8042 59.9086 30.0560 178.8857 37 T 3.9017 8.1512 115.5356 66.8260 68.5039 176.2528 38 C 4.0573 8.5392 118.7926 62.9675 27.9846 176.1190 39 A 3.8420 8.0433 120.7592 55.1235 17.9165 179.3283 40 A 4.0181 7.7997 118.2140 54.0954 18.5379 178.7497 41 T 4.3254 7.0969 105.5106 60.4123 69.7008 173.7311 42 N 4.1874 8.0187 117.1821 54.8784 36.0589 173.6398 43 T 4.6130 7.5391 114.1504 62.4691 69.9183 175.5807 44 S 4.5700 8.5263 121.8294 58.3660 64.5806 172.7996 45 L 5.2687 8.9046 125.0311 53.6787 44.7771 174.8065 46 H 5.5453 9.5617 122.7094 54.1660 32.8943 172.5602 47 I 5.0084 8.8026 122.5733 59.6314 41.3357 174.3177 48 I 4.8937 8.5339 127.9401 60.0979 38.3626 175.8980 49 R 4.5203 9.3890 127.5006 55.4625 30.9084 174.5090 50 P 4.7201 0.0000 0.0000 61.8345 33.5328 175.2211 51 M 4.0764 8.3660 121.1175 55.1720 32.6690 176.4833 52 G 3.9806 9.0697 109.4292 44.9039 0.0000 173.7306 53 F 5.0220 6.8486 113.4683 53.9266 40.9248 172.5527 54 P 4.2992 0.0000 0.0000 62.7117 31.8552 176.2419 55 I 4.0514 8.1821 122.2568 60.7158 36.9995 175.1522 56 D 4.6936 8.4612 126.5876 52.2529 41.4572 175.8458 57 D 4.3376 8.8608 126.9048 57.6671 41.3766 178.9710 58 K 3.9909 8.1066 116.3248 59.4997 32.3307 178.5795 59 K 3.9359 8.4627 117.3152 59.4633 32.2486 175.6452 60 M 3.3783 8.0199 115.0793 55.5667 32.3995 176.6391 *67 Y 4.3637 8.2294 117.9473 56.6932 38.9075 171.0949 68 W 4.8444 6.6665 114.3358 57.3852 29.1735 174.5254 69 D 4.2169 7.4373 121.9644 54.4092 40.0534 175.6261 *71 L 4.0860 7.3369 120.3140 55.4712 42.1273 177.4425 72 D 4.6420 8.2867 119.2346 53.2691 41.1746 174.3121 73 V 4.8257 8.0498 124.4720 61.0760 34.1612 174.1720 74 H 4.9741 8.9141 123.3976 54.0279 32.7490 172.4202 75 F 5.2963 8.6541 119.6134 56.0517 42.0912 174.3730 76 Y 4.8820 8.8245 117.7548 56.4588 41.8180 176.5697 77 D 4.3415 9.3979 122.5355 57.1615 41.5456 176.8489 78 S 4.6668 7.6240 111.8062 56.1733 66.3272 176.2090 79 L 3.8867 8.3139 123.7737 58.4340 41.9165 178.2354 80 N 4.2961 8.3500 116.4832 56.9134 38.7700 176.0254 81 D 4.3553 8.0877 119.0678 57.4200 41.4465 177.9601 82 F 3.5217 8.1541 121.1289 61.4412 39.0573 177.0163 83 M 3.8709 8.1409 117.3871 58.0319 31.7395 178.1539 84 N 4.4158 7.8328 115.5313 55.3526 38.7815 175.9702 85 I 4.0861 6.6495 118.6137 61.8031 38.4785 175.8635 86 C 3.2497 7.4184 121.6529 58.9534 31.3991 172.6616 87 S 4.4143 9.0250 120.7580 56.7537 65.0264 172.0792 88 G 3.9705 7.8884 118.1423 45.3031 0.0000 172.0485 89 K 4.4876 9.0288 124.7013 54.5544 34.2252 175.1463 90 L 5.0265 8.3499 126.7443 53.5905 44.2316 174.9589 91 H 5.1393 9.2840 122.7482 54.0382 32.3512 172.4018 92 L 4.8000 8.7625 123.9659 53.6251 43.3664 175.8348 93 I 4.7943 8.4807 126.4979 60.4333 37.3476 175.1389 94 T 4.7049 8.8187 117.0959 59.6225 72.2575 175.3358 95 K 3.7867 8.4948 120.6115 58.4076 32.1376 178.3231 96 F 5.1024 7.6397 114.5017 56.8847 39.6244 175.1224 97 A 4.2425 7.5345 123.0260 52.5533 18.6144 178.0410 98 N 4.8490 8.5315 118.9609 52.7165 39.2739 175.3194 99 K 4.5673 7.7005 116.9463 55.5695 35.6657 174.0726 100 T 4.9358 8.3702 122.1681 62.2589 69.8596 175.1246 101 Y 4.3755 9.2749 125.5684 60.4383 37.7444 178.7326 102 S 4.3343 6.4680 111.4776 58.9002 63.4757 174.0972 103 D 4.4936 7.9171 120.7457 54.8691 41.2757 176.5347 104 E 3.8177 7.3748 119.3433 55.6408 30.1055 175.3098 105 N 4.5894 8.1831 123.8341 52.7570 39.3753 174.1226 106 Y 4.5094 8.7093 123.1469 58.0103 39.2160 176.4057 107 D 4.7161 8.1142 122.0859 52.5854 39.7059 173.9662 108 D 4.6495 7.4572 118.9277 52.6802 42.1552 176.6419 109 S 4.7067 8.6063 115.6321 58.6131 63.2975 173.2966 110 E 4.2779 8.3059 120.1288 56.4078 30.5404 176.3383 111 H 4.5507 8.7430 119.3242 56.4402 30.2367 173.9488 112 H 5.2172 9.1933 120.4142 54.2504 31.3995 172.6390 113 Y 4.9399 9.1568 121.8773 56.2902 40.4247 174.7870 114 F 5.1562 9.2734 123.7997 55.9034 41.1802 174.2431 115 L 5.0848 8.8140 127.5656 53.4255 43.9314 175.0445 116 F 5.0990 9.1600 125.0135 55.4576 42.0643 175.7914 117 G 4.4322 8.8099 110.6407 45.4940 0.0000 173.2358 118 R 4.3457 8.7176 118.2409 55.9348 30.7344 178.0600 119 E 4.0161 8.9656 120.9820 59.4491 29.6728 178.2607 120 D 4.6420 8.0736 116.3816 54.5695 40.2115 177.0052 121 K 4.5282 7.8178 115.4610 54.5067 34.9238 178.1851 122 G 3.8566 8.1751 106.9906 45.9611 0.0000 172.9575 123 L 4.3869 8.1723 121.6407 52.1930 44.0569 175.0779 124 P 4.3999 0.0000 0.0000 63.6692 33.0443 178.5018 125 E 4.1971 8.9728 123.4115 61.5624 29.7066 178.3492 126 E 4.1991 8.1499 117.5246 61.3605 29.9264 182.4536 127 F 4.2533 8.2337 121.5773 61.4783 39.4421 176.9988 128 M 4.2114 8.4707 120.7393 58.8086 31.4434 179.7579 129 R 3.9817 7.7518 122.5121 62.2104 29.7880 182.1251 130 Q 4.2643 7.9324 120.5914 59.2757 28.2024 178.8402 131 H 4.9701 7.5497 115.9050 55.3127 29.5284 176.4757 132 S 4.3037 7.5997 118.0062 61.3575 62.6811 175.9973 133 E 4.1533 8.0875 116.7191 57.6952 29.6160 177.1815 134 K 4.3010 8.4405 119.0773 56.4648 32.8709 175.9040 135 A 4.8701 7.6483 121.5860 51.6432 19.3794 177.1250 136 L 5.1729 9.3793 120.4001 52.9832 46.3974 175.8931 137 R 5.1255 9.0939 118.2724 53.7328 33.0456 174.8600 138 I 4.6231 8.1120 121.0382 59.1496 37.9062 174.2369 139 P 4.4352 0.0000 0.0000 62.7878 31.8556 176.3484 140 V 4.4989 7.9192 113.7457 59.5239 35.6134 174.4689 141 N 4.6824 8.6159 120.5956 52.7627 39.1323 174.1840 142 D 5.3556 8.5940 124.1942 52.9099 39.8955 176.9995 143 Q 4.0515 8.0312 122.9108 59.4159 29.1324 176.8052 144 H 4.8329 8.1633 112.0495 56.3745 31.1472 174.8795 145 V 4.5794 7.3953 110.3160 59.7176 35.0808 176.1567 146 R 4.4963 8.4925 120.0366 56.7085 30.8191 176.3924 147 S 4.5934 7.4931 110.5833 57.1816 65.5793 173.5440 148 L 4.5588 8.0112 121.0799 53.0304 43.4029 176.8407 149 N 4.3368 8.4493 118.7119 53.7240 40.6066 175.4137 150 L 3.8943 8.5099 128.9910 58.5271 42.3305 179.6419 151 S 4.0500 7.9557 113.4354 61.2570 62.9123 175.9159 152 N 4.2635 8.0456 119.7809 56.6132 38.3652 177.2735 153 T 3.8547 7.7631 117.1081 66.3952 68.4516 177.0424 154 V 3.2070 7.5699 120.2368 65.8522 31.4170 177.6526 155 C 4.1389 7.9289 118.6433 62.7685 31.3883 175.4831 156 M 4.1044 7.9835 118.6633 58.4062 30.8376 178.5647 157 I 3.5344 7.7803 120.8929 64.0040 37.1998 178.5911 158 V 3.1457 7.7568 119.1312 66.1417 31.3619 177.7592 159 Y 3.8040 8.2907 116.5143 60.4059 37.6565 177.7927 160 E 3.9477 8.5523 120.7815 59.0848 29.8098 178.4408 161 A 3.6950 7.3571 120.6214 55.2071 18.3921 179.4413 162 L 3.6435 7.6698 117.2850 57.7883 41.6288 179.6412 163 R 2.8390 7.9176 118.7295 59.5171 29.7990 178.6915 164 Q 4.0821 7.7543 115.8988 58.4136 28.9708 177.6646 165 Q 4.3406 7.8278 117.9281 54.8760 28.5412 175.5368 166 D 4.2286 8.0776 117.7629 55.1489 40.4632 173.6347 167 F 3.7823 8.1177 112.6871 57.9723 37.3050 177.3801 168 I 3.8692 7.7474 123.6031 64.0733 37.1399 177.9843 169 G 3.6681 8.1344 106.1627 47.5942 0.0000 175.3743 170 L 4.0929 7.7892 119.9481 57.0215 41.6852 178.2654 171 E 4.4810 8.0710 116.4013 56.2994 30.2185 176.4373 172 L 4.7553 7.2964 118.9848 54.3990 42.4871 178.9040 173 S 4.1613 8.5172 116.0956 62.2089 62.9050 175.7087 174 H 4.2674 8.2596 118.0530 59.0912 29.9451 174.9333 175 T 4.1440 7.4366 112.5785 61.8386 68.7163 174.0930 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 15 L 8.17 4.24 0.00 1.61 1.68 0.92 0.73 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 16 G 8.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 9.04 4.83 0.00 1.79 2.00 0.00 3.02 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 18 N 8.56 5.45 0.00 2.66 2.92 0.00 0.00 6.57 8.16 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 19 H 9.18 5.33 0.00 2.56 3.11 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.12 5.03 2.18 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 1.03 0.00 0.00 1.05 0.00 0.00 21 V 9.44 4.91 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 0.25 0.00 0.00 0.87 0.00 0.00 22 L 9.00 4.98 0.00 1.63 1.62 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.16 4.62 0.00 2.88 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 24 Q 8.02 3.34 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 25 P 0.00 4.39 0.00 2.45 2.28 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 26 Q 9.69 4.74 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 27 I 7.86 4.25 1.92 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 1.64 1.31 0.85 0.00 0.00 28 P 0.00 2.97 0.00 1.78 1.44 0.00 3.36 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 29 A 7.72 3.88 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 30 N 7.95 4.27 0.00 2.87 2.84 0.00 0.00 7.16 7.05 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 31 T 7.81 4.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 32 G 8.26 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 0.00 0.00 0.00 33 N 8.25 4.45 0.00 2.88 2.87 0.00 0.00 7.00 7.32 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 34 I 7.90 3.66 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.88 0.00 0.00 35 A 8.18 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.02 0.00 2.32 2.27 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 37 T 8.15 3.90 4.40 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 1.27 0.00 0.00 38 C 8.54 4.06 0.00 3.15 3.23 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 39 A 8.04 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.80 4.02 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 41 T 7.10 4.33 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 0.99 0.00 0.00 42 N 8.02 4.19 0.00 2.97 2.93 0.00 0.00 6.97 7.54 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 43 T 7.54 4.61 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 1.27 0.00 0.00 44 S 8.53 4.57 0.00 3.89 3.88 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 45 L 8.90 5.27 0.00 1.75 1.48 0.95 1.23 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 46 H 9.56 5.55 0.00 3.20 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.80 5.01 1.39 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.98 0.00 0.00 48 I 8.53 4.89 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 1.07 0.00 0.00 49 R 9.39 4.52 0.00 1.77 1.84 0.00 3.13 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 50 P 0.00 4.72 0.00 2.01 2.08 0.00 3.54 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 1.93 1.92 0.00 51 M 8.37 4.08 0.00 1.00 1.51 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 52 G 9.07 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 53 F 6.85 5.02 0.00 3.06 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 54 P 0.00 4.30 0.00 2.23 2.11 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 55 I 8.18 4.05 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.92 0.00 0.00 56 D 8.46 4.69 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 57 D 8.86 4.34 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 58 K 8.11 3.99 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 59 K 8.46 3.94 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 60 M 8.02 3.38 0.00 1.88 2.36 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 2.68 2.25 0.00 *67 Y 8.23 4.36 0.00 2.36 2.23 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 68 W 6.67 4.84 0.00 3.36 3.39 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 69 D 7.44 4.22 0.00 2.62 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 *71 L 7.34 4.09 0.00 1.87 1.89 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.29 4.64 0.00 2.86 2.65 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 73 V 8.05 4.83 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 0.51 0.00 0.00 0.93 0.00 0.00 74 H 8.91 4.97 0.00 3.16 2.97 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.65 5.30 0.00 2.76 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 76 Y 8.82 4.88 0.00 2.99 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 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1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.97 0.00 0.00 86 C 7.42 3.25 0.00 1.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.03 4.41 0.00 3.72 3.66 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 0.00 0.00 0.00 0.00 88 G 7.89 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 89 K 9.03 4.49 0.00 1.51 1.62 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.29 7.81 90 L 8.35 5.03 0.00 1.53 1.44 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 H 9.28 5.14 0.00 3.05 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.76 4.80 0.00 1.66 1.61 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.48 4.79 1.37 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 0.77 0.05 0.92 0.00 0.00 94 T 8.82 4.70 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 1.23 0.00 0.00 95 K 8.49 3.79 0.00 0.79 0.79 0.00 1.25 0.00 0.00 1.35 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 1.17 7.81 96 F 7.64 5.10 0.00 3.08 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 97 A 7.53 4.24 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 98 N 8.53 4.85 0.00 2.75 2.87 0.00 0.00 6.71 7.61 0.00 0.00 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 K 7.70 4.57 0.00 1.76 1.62 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 100 T 8.37 4.94 4.40 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 1.19 0.00 0.00 101 Y 9.27 4.38 0.00 3.32 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 0.00 102 S 6.47 4.33 0.00 3.73 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 0.00 103 D 7.92 4.49 0.00 2.72 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 0.00 104 E 7.37 3.82 0.00 1.86 1.65 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 2.11 1.67 0.00 105 N 8.18 4.59 0.00 2.57 2.59 0.00 0.00 6.95 7.54 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 0.00 106 Y 8.71 4.51 0.00 2.96 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 0.00 107 D 8.11 4.72 0.00 2.65 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 0.00 108 D 7.46 4.65 0.00 2.78 2.65 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 0.00 109 S 8.61 4.71 0.00 4.00 4.09 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 0.00 110 E 8.31 4.28 0.00 1.87 1.84 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 2.34 2.43 0.00 111 H 8.74 4.55 0.00 3.35 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 9.19 5.22 0.00 3.21 2.79 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.16 4.94 0.00 2.76 2.94 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 0.00 0.00 0.00 0.00 114 F 9.27 5.16 0.00 3.17 2.89 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 0.00 115 L 8.81 5.08 0.00 1.68 1.62 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.16 5.10 0.00 3.01 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 0.00 117 G 8.81 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 0.00 0.00 0.00 0.00 118 R 8.72 4.35 0.00 2.01 2.09 0.00 3.24 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 119 E 8.97 4.02 0.00 1.97 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 2.33 2.40 0.00 120 D 8.07 4.64 0.00 2.81 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 0.00 121 K 7.82 4.53 0.00 1.82 1.93 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.44 7.81 122 G 8.18 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 0.00 123 L 8.17 4.39 0.00 1.62 1.43 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.40 0.00 2.12 1.98 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 125 E 8.97 4.20 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 126 E 8.15 4.20 0.00 1.97 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 2.31 1.93 0.00 127 F 8.23 4.25 0.00 3.06 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 0.00 128 M 8.47 4.21 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 129 R 7.75 3.98 0.00 1.95 1.84 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 130 Q 7.93 4.26 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.29 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 131 H 7.55 4.97 0.00 2.95 3.06 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.60 4.30 0.00 4.13 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 0.00 133 E 8.09 4.15 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 2.24 2.35 0.00 134 K 8.44 4.30 0.00 1.88 2.01 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 135 A 7.65 4.87 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 0.00 136 L 9.38 5.17 0.00 1.63 1.67 1.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.09 5.13 0.00 1.85 2.09 0.00 3.07 0.00 0.00 3.47 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 138 I 8.11 4.62 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.46 0.74 0.00 0.00 139 P 0.00 4.44 0.00 2.11 2.05 0.00 3.87 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 140 V 7.92 4.50 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 0.70 0.00 0.00 0.99 0.00 0.00 141 N 8.62 4.68 0.00 2.68 2.75 0.00 0.00 7.02 8.47 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 0.00 142 D 8.59 5.36 0.00 2.86 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 0.00 143 Q 8.03 4.05 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.78 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 144 H 8.16 4.83 0.00 3.18 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.40 4.58 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 0.93 0.00 0.00 0.95 0.00 0.00 146 R 8.49 4.50 0.00 1.80 1.99 0.00 3.31 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 147 S 7.49 4.59 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.01 4.56 0.00 1.63 1.60 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.45 4.34 0.00 2.81 2.67 0.00 0.00 6.57 6.66 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 0.00 150 L 8.51 3.89 0.00 1.80 1.62 0.87 0.96 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 0.00 151 S 7.96 4.05 0.00 4.03 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 0.00 152 N 8.05 4.26 0.00 2.93 2.87 0.00 0.00 7.18 7.05 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 0.00 153 T 7.76 3.85 4.39 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 1.29 0.00 0.00 154 V 7.57 3.21 1.95 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 0.78 0.00 0.00 -0.07 0.00 0.00 155 C 7.93 4.14 0.00 3.13 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 0.00 156 M 7.98 4.10 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.74 0.00 157 I 7.78 3.53 2.08 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 1.59 1.35 0.22 0.00 0.00 158 V 7.76 3.15 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 0.75 0.00 0.00 0.86 0.00 0.00 159 Y 8.29 3.80 0.00 3.19 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 0.00 160 E 8.55 3.95 0.00 2.35 2.23 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 2.49 2.60 0.00 161 A 7.36 3.69 0.96 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 0.00 162 L 7.67 3.64 0.00 1.55 1.37 0.36 0.55 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 0.00 163 R 7.92 2.84 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 164 Q 7.75 4.08 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.79 0.00 165 Q 7.83 4.34 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.25 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 166 D 8.08 4.23 0.00 2.80 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 0.00 167 F 8.12 3.78 0.00 3.26 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 0.00 168 I 7.75 3.87 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.98 0.00 0.00 169 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.79 4.09 0.00 1.90 1.77 0.91 0.91 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 0.00 171 E 8.07 4.48 0.00 2.04 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 2.31 2.37 0.00 172 L 7.30 4.76 0.00 1.70 1.64 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 173 S 8.52 4.16 0.00 3.87 3.94 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 0.00 0.00 0.00 0.00 174 H 8.26 4.27 0.00 3.11 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.44 4.14 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.