NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.3332 8.2548 109.1321 45.4410 0.0000 177.0430 *2 Q 4.0977 8.6105 122.8014 55.2758 29.6349 174.2005 3 T 4.2843 8.3102 118.4718 62.8143 69.2686 172.8853 4 P 4.6256 0.0000 0.0000 62.6906 33.3095 175.0540 5 A 4.9294 8.8591 123.1533 51.1123 20.9623 176.2022 6 L 4.6938 8.8478 123.0337 53.3973 44.9227 175.3845 7 I 4.7785 8.7558 129.0085 60.1429 38.9189 174.9734 8 I 4.4708 8.8134 129.7218 59.7025 39.1998 175.0488 9 V 4.8095 8.4767 127.6050 61.5677 33.4798 174.2522 10 T 5.8256 9.7988 122.2629 58.4669 71.3513 172.5613 11 G 4.6122 8.1674 114.5895 44.5939 0.0000 171.9940 12 H 4.3691 7.8275 117.7734 54.4414 29.4656 173.4850 13 P 4.2051 0.0000 0.0000 64.5053 31.2436 176.8145 14 A 3.7710 8.8144 123.5087 52.7051 16.2925 178.9870 15 T 3.9447 7.6393 106.0787 62.5951 69.2420 176.2063 16 G 4.1582 7.8189 111.5255 45.0986 0.0000 175.7070 17 K 3.8883 8.0488 119.9455 60.2080 32.3191 179.1526 18 T 3.7979 7.7494 116.2771 66.8425 68.5023 176.5510 19 T 3.8538 7.8003 117.0230 66.5301 68.5397 176.2985 20 L 3.9479 8.1147 122.5547 58.2114 42.1147 179.1917 21 S 4.1499 8.3031 114.3909 61.5710 62.8840 176.5134 22 Q 3.9610 8.2500 121.4613 58.6438 28.3623 178.4620 23 A 4.0349 8.2366 121.9283 55.1140 18.2799 179.7450 24 L 3.9473 8.2067 117.4235 57.7772 41.8116 179.5309 25 A 3.9908 8.1191 120.8554 55.5318 18.1137 179.9131 26 T 3.9828 7.9270 113.3438 66.7128 68.6252 177.1327 27 G 3.7557 8.3789 106.9717 46.6621 0.0000 174.7542 28 L 4.5194 8.0914 118.3525 53.0680 43.6521 176.2086 29 R 3.8609 8.0034 116.9550 57.7284 27.4554 175.2286 30 L 4.9666 7.5813 114.9620 51.9976 45.8056 176.9061 31 P 4.4751 0.0000 0.0000 62.6310 32.8032 175.0414 32 L 5.0625 8.4477 124.3170 53.3180 44.4874 175.2505 33 L 4.6810 8.8872 127.1546 52.9987 43.5980 175.9847 34 S 4.6627 8.1110 118.3625 55.6683 65.0744 174.1868 35 K 3.5769 8.5882 129.0249 59.8720 31.9031 178.8756 36 D 4.3386 7.9328 118.2990 57.1630 40.7539 178.4495 37 A 4.0502 7.9349 121.0128 55.2223 18.1721 179.7165 38 F 4.1129 8.2223 115.3431 60.5809 39.0249 177.6900 39 K 3.7200 8.0149 117.2251 59.4520 32.0806 178.9057 40 E 4.1444 8.2815 118.8478 59.1504 29.2843 180.0637 41 V 3.8223 7.5139 115.0228 63.7750 31.3034 177.4930 *43 F 5.5427 7.9239 117.1777 57.5106 40.8000 177.2058 44 D 4.5349 8.6054 119.6259 57.1987 40.7820 177.9996 45 G 3.8436 8.2166 107.2774 47.1378 0.0000 174.2353 46 L 4.5609 8.3895 116.5777 53.8779 43.2774 176.9828 47 G 4.0635 9.3508 105.1726 44.8516 0.0000 171.9254 48 W 5.4882 7.4658 114.7547 55.1193 30.7379 173.1585 49 S 4.5060 8.1776 113.8113 57.8719 70.0800 175.6177 50 D 5.1190 7.8894 118.1613 49.7359 43.2996 176.6953 51 R 3.9938 8.6184 117.5250 59.5925 29.8800 177.8369 52 E 3.9966 8.2813 118.8279 58.9736 29.7280 178.4793 53 W 4.3655 8.8263 128.5471 60.5120 30.7555 177.8068 54 S 4.4306 8.4505 113.2090 61.7052 61.7773 176.4747 55 R 3.9293 8.2903 120.7263 59.3112 29.8610 179.3368 56 R 3.8162 7.9735 117.9172 59.1378 30.0629 179.2737 57 V 3.2921 7.8030 118.6070 65.5828 31.3488 178.3366 58 G 3.4875 8.3043 105.7197 47.7439 0.0000 175.5193 59 A 3.9997 7.8378 122.3062 55.1196 18.4027 179.6417 60 T 3.9558 7.5721 113.1337 66.5827 68.6287 176.5359 61 A 4.3126 8.1736 121.9976 54.6281 19.9519 179.1472 62 I 3.8467 7.6158 119.7027 61.5872 33.4305 176.0684 *65 L 3.9865 7.6762 125.0411 55.0634 44.3803 178.5160 66 Y 4.0213 7.8801 116.1384 61.0754 37.6431 177.9950 67 H 4.2284 8.3496 118.8344 59.7301 30.1875 177.4110 68 T 4.0205 8.0410 116.8669 66.4361 68.3315 176.4357 69 A 3.9717 8.3033 122.7367 55.1513 18.2540 179.5747 70 A 3.9557 7.9104 118.7057 55.6776 18.2830 179.8525 71 T 3.9682 7.3395 109.0095 65.0341 67.5058 176.4802 72 I 3.8822 7.6472 121.5423 64.3756 37.2162 178.3309 73 L 4.1903 8.2033 120.1157 58.0039 41.2235 179.6642 74 Q 4.0977 8.2512 117.4538 58.5024 28.6998 178.2006 75 S 4.4316 7.6335 113.4454 59.0029 63.4610 175.0988 76 G 3.8998 8.0677 111.0413 45.2390 0.0000 172.6285 77 Q 4.5605 7.1179 120.1646 54.5721 30.2376 175.7907 78 S 4.8484 8.6137 121.7797 58.6722 64.3215 172.8321 79 L 4.5624 8.3757 120.0282 55.5158 44.2074 173.8874 80 I 5.2046 8.2043 120.5374 58.6028 41.0795 173.8462 *82 E 4.8294 8.3689 121.8653 57.0078 30.9862 174.8701 83 S 4.4597 7.8451 119.3900 57.4546 65.9930 174.2399 84 N 5.1257 8.0498 120.9040 50.4757 35.2062 174.7394 85 F 4.4321 8.3197 124.2737 58.3714 40.3088 175.6850 86 R 4.6602 9.3863 123.5826 54.2194 32.0669 177.5838 87 V 3.6632 8.4907 123.6081 66.2287 31.3975 177.7457 88 D 4.4022 8.1647 117.1938 55.6766 39.2540 177.3229 89 L 4.5470 7.7607 118.6942 56.0915 43.3003 178.0910 90 D 4.5398 8.5976 117.6089 56.6822 40.8903 178.5848 91 T 4.0185 7.3566 115.8493 66.7543 68.7149 175.8065 92 E 4.3145 8.0967 120.5358 58.8625 29.6232 179.1554 93 R 3.9417 7.4403 116.1591 56.5786 29.6690 178.5057 *95 Q 4.2875 8.2491 118.8976 56.2123 31.0348 177.5376 96 N 4.3569 8.4316 115.5104 56.0464 38.4104 177.1932 97 L 4.1485 8.2454 121.9556 58.6027 42.0510 178.4948 98 H 4.1268 8.4646 116.2686 59.6511 29.8010 176.6922 99 T 4.0101 7.8217 116.8321 66.0231 68.3781 175.6493 100 I 4.3860 7.3037 111.1704 60.7900 39.6606 176.4938 101 A 4.6905 7.9628 123.0807 49.6861 20.1543 173.1132 102 P 3.8485 0.0000 0.0000 62.7930 31.9730 176.5913 103 F 5.1736 7.4174 114.4139 56.0654 41.4495 173.4332 104 T 4.7125 8.9261 117.0659 61.2523 70.1941 172.3232 105 P 5.1297 0.0000 0.0000 62.6842 32.8966 175.8172 106 I 4.7213 8.7501 122.4441 59.6550 41.2197 173.9714 107 Q 5.1275 9.2558 127.5636 54.2929 32.3950 173.8318 108 I 4.8426 9.0479 127.0465 59.4857 40.4320 174.2147 109 R 4.9752 9.0072 128.2360 54.8048 32.0296 174.4128 110 C 5.1209 8.9403 124.7513 58.7749 29.8977 173.5116 111 V 4.6568 8.5490 114.3449 60.3197 36.2062 173.8041 112 A 4.9877 8.0850 122.1868 51.0360 22.0678 176.4409 113 S 4.1992 8.4719 114.4353 57.8993 63.9733 175.7940 114 G 3.7467 8.7426 110.8175 47.5613 0.0000 175.5601 115 D 4.3328 8.0209 120.8747 57.1184 40.8902 179.0250 116 V 3.5197 7.4852 118.3609 65.9158 31.4454 178.0265 117 L 3.9417 8.1223 119.0357 57.7267 41.4286 179.6979 118 V 3.5967 8.1709 120.8574 66.5787 31.4902 178.4037 119 E 3.9709 8.1000 118.0602 61.3037 29.4115 181.2763 120 R 4.0910 7.9663 119.1397 59.0287 30.2901 179.0615 121 I 3.6566 7.8389 119.6857 64.4274 37.0501 178.4506 122 L 3.9728 7.8515 119.7284 57.8861 41.5281 179.8052 123 S 4.1020 8.1365 114.1569 61.5960 62.7646 176.6780 124 R 3.9648 8.2959 121.9919 58.9652 29.3280 179.1445 125 I 3.7464 7.7295 119.0307 63.9974 36.9174 178.3330 126 A 4.0336 8.0382 121.0343 55.2031 18.4176 179.0244 127 Q 4.2774 8.4658 113.3138 55.6287 28.3733 177.0231 128 G 3.8485 7.7072 107.2712 45.8951 0.0000 175.8345 129 A 4.0442 7.6958 124.1206 54.2407 18.5484 178.6728 130 R 4.2991 7.0796 113.2821 54.9964 30.9072 175.6277 131 H 4.0596 8.8417 125.2706 55.6719 30.4634 174.2078 132 P 4.0026 0.0000 0.0000 65.3316 30.7986 178.7903 133 G 2.4234 7.0258 104.0675 46.9320 0.0000 174.8750 134 H 4.3749 7.3141 117.6917 56.7502 29.5998 175.0771 135 C 4.0897 7.5831 116.9757 60.5800 26.0318 173.7611 136 D 4.2974 7.9498 120.2101 54.6932 41.2376 177.1350 137 D 4.3801 8.9363 125.6753 54.7453 39.6895 173.4353 138 R 4.7245 8.3768 122.0440 54.2060 31.2779 172.7073 139 S 4.5351 8.0564 114.5436 58.1377 65.2336 173.0668 140 P 4.1884 0.0000 0.0000 65.7168 30.8890 178.8410 141 A 3.9766 7.9138 118.8996 55.2249 18.3354 179.0056 142 D 4.3141 7.8765 116.9256 57.8277 40.8993 179.3652 143 L 3.9703 8.1963 119.4483 57.6730 41.5732 179.2254 144 E 3.9336 8.3566 119.4338 58.9845 29.3072 178.8539 145 L 3.9448 7.9953 118.8176 57.6633 41.6195 179.1305 146 V 3.6656 8.0242 118.5177 66.1852 31.5127 178.1292 147 R 4.0253 8.3354 118.6394 58.3697 29.6170 177.5594 148 S 4.7460 7.5240 111.2891 58.1511 63.4160 174.9880 149 R 3.8133 7.5757 123.5293 57.5756 30.0013 177.6460 150 G 3.9422 7.9567 104.9657 44.4211 0.0000 172.1570 151 D 4.5711 8.2509 118.1062 53.3869 41.4895 176.7061 152 I 3.6797 7.9819 123.1385 60.2049 38.5828 173.9770 153 P 4.3834 0.0000 0.0000 61.7611 31.7972 174.6667 154 P 4.5820 0.0000 0.0000 61.8751 32.3856 175.8002 155 L 4.1960 8.8219 120.4762 54.1462 42.4079 176.8738 156 P 4.6027 0.0000 0.0000 61.6960 29.8671 175.8300 157 L 4.2187 7.7334 119.5681 54.9634 42.9282 178.1285 158 G 3.7682 8.0557 105.3669 45.6407 0.0000 173.5191 159 G 3.9982 8.4584 105.2958 43.8368 0.0000 171.3633 160 P 4.6028 0.0000 0.0000 62.7024 32.6481 175.1612 161 L 5.4313 8.5935 122.5601 53.3789 45.2172 174.9508 162 L 4.3415 8.7878 128.0838 53.3072 44.6615 174.7772 163 T 4.9110 8.2711 122.4504 61.8324 70.5963 173.8996 164 V 4.1439 8.7856 126.9487 61.0667 33.8339 173.8858 165 D 5.0538 8.7136 129.1516 53.4457 41.5786 175.5149 166 T 4.4344 8.4076 116.3025 62.0544 69.0972 175.8586 167 T 3.6460 8.2387 121.0942 66.5194 68.6090 174.3963 168 F 4.7955 7.5302 121.9332 54.4947 39.3867 173.7579 169 P 4.2774 0.0000 0.0000 65.9523 31.5398 179.5548 170 E 4.0752 8.2755 113.0307 58.7572 29.6411 180.7841 171 Q 4.2755 8.0366 114.7477 57.2998 29.1935 176.0198 172 I 3.9834 7.5686 120.2860 60.6002 37.6332 175.1178 173 D 4.6964 8.3431 124.5093 52.5291 43.6033 175.8658 *175 N 4.6176 8.4362 117.7597 53.4403 40.7333 175.9736 176 A 4.1204 8.5048 120.0417 55.1630 18.4314 179.7370 177 I 3.7042 7.6155 118.3833 64.4572 37.1182 178.7103 178 V 3.6681 7.8503 118.6009 66.3091 31.3010 177.8899 179 Q 4.0106 8.6826 118.0815 58.5371 28.6280 178.4093 180 W 4.1740 8.5674 129.7011 60.6414 30.6906 178.1572 181 V 3.5617 8.1141 117.7369 66.0716 30.9403 177.9942 182 R 3.9577 8.4190 120.5218 60.0211 29.9721 179.5245 183 Q 3.9136 8.2360 120.5713 60.7819 27.8524 180.4858 184 H 4.2228 7.3881 116.4757 58.3103 28.6533 177.7070 185 L 4.1735 8.1434 123.3069 58.2710 41.4774 179.6892 186 Q 4.2029 8.2927 122.7881 60.8493 28.1386 180.0724 187 S 4.6124 7.6318 123.5064 60.3750 62.4643 175.7082 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 8.25 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 *2 Q 8.61 4.10 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 3 T 8.31 4.28 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 1.26 0.00 0.00 4 P 0.00 4.63 0.00 2.22 2.26 0.00 3.82 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 2.26 2.22 0.00 5 A 8.86 4.93 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 6 L 8.85 4.69 0.00 1.37 1.16 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.76 4.78 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.96 0.00 0.00 8 I 8.81 4.47 1.75 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 0.69 0.19 0.53 0.00 0.00 9 V 8.48 4.81 2.11 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 0.97 0.00 0.00 0.95 0.00 0.00 10 T 9.80 5.83 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 11 G 8.17 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.83 4.37 0.00 3.19 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.21 0.00 2.00 1.96 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 14 A 8.81 3.77 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 15 T 7.64 3.94 4.12 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 1.23 0.00 0.00 16 G 7.82 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 0.00 0.00 0.00 17 K 8.05 3.89 0.00 1.96 2.06 0.00 1.52 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 18 T 7.75 3.80 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 1.19 0.00 0.00 19 T 7.80 3.85 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 1.21 0.00 0.00 20 L 8.11 3.95 0.00 1.76 1.69 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.30 4.15 0.00 4.07 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 22 Q 8.25 3.96 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 23 A 8.24 4.03 1.40 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 0.00 0.00 24 L 8.21 3.95 0.00 1.93 1.75 0.97 0.80 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 25 A 8.12 3.99 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 26 T 7.93 3.98 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 1.22 0.00 0.00 27 G 8.38 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 0.00 0.00 0.00 28 L 8.09 4.52 0.00 1.66 1.70 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.00 3.86 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 30 L 7.58 4.97 0.00 1.52 1.53 0.93 0.81 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 31 P 0.00 4.48 0.00 2.08 1.98 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 32 L 8.45 5.06 0.00 1.59 1.52 0.90 0.93 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 33 L 8.89 4.68 0.00 1.30 1.18 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.11 4.66 0.00 3.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.59 3.58 0.00 1.54 1.55 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 36 D 7.93 4.34 0.00 2.67 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 37 A 7.93 4.05 1.46 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 0.00 0.00 0.00 38 F 8.22 4.11 0.00 2.95 3.05 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 39 K 8.01 3.72 0.00 1.76 1.23 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.64 7.81 40 E 8.28 4.14 0.00 2.17 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 2.34 2.53 0.00 41 V 7.51 3.82 2.11 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 0.95 0.00 0.00 0.90 0.00 0.00 *43 F 7.92 5.54 0.00 3.20 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 44 D 8.61 4.53 0.00 2.90 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 45 G 8.22 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7.82 4.01 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 0.00 100 I 7.30 4.39 1.89 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 1.74 0.72 0.93 0.00 0.00 101 A 7.96 4.69 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.85 0.00 2.06 1.84 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 103 F 7.42 5.17 0.00 2.94 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 0.00 104 T 8.93 4.71 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 105 P 0.00 5.13 0.00 2.17 2.34 0.00 3.77 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 2.15 2.23 0.00 106 I 8.75 4.72 1.92 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 1.06 0.66 1.02 0.00 0.00 107 Q 9.26 5.13 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 108 I 9.05 4.84 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.61 0.86 0.00 0.00 109 R 9.01 4.98 0.00 1.80 1.71 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 110 C 8.94 5.12 0.00 2.82 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 0.00 111 V 8.55 4.66 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 0.66 0.00 0.00 0.94 0.00 0.00 112 A 8.08 4.99 1.09 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 0.00 113 S 8.47 4.20 0.00 3.98 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 0.00 114 G 8.74 3.75 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 0.00 0.00 0.00 115 D 8.02 4.33 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 124 R 8.30 3.96 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 125 I 7.73 3.75 1.84 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 1.41 1.21 0.88 0.00 0.00 126 A 8.04 4.03 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 0.00 127 Q 8.47 4.28 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.18 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 128 G 7.71 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 0.00 129 A 7.70 4.04 1.26 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 0.00 0.00 0.00 130 R 7.08 4.30 0.00 1.75 1.80 0.00 3.29 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 131 H 8.84 4.06 0.00 3.23 3.12 0.00 5.73 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 0.00 132 P 0.00 4.00 0.00 0.98 1.87 0.00 3.06 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.66 0.00 133 G 7.03 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 7.31 4.37 0.00 3.09 3.51 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 7.58 4.09 0.00 3.09 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 0.00 136 D 7.95 4.30 0.00 2.64 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 0.00 137 D 8.94 4.38 0.00 2.69 2.51 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 0.00 138 R 8.38 4.72 0.00 1.76 1.75 0.00 3.23 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 139 S 8.06 4.54 0.00 4.04 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 0.00 140 P 0.00 4.19 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 141 A 7.91 3.98 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 0.00 142 D 7.88 4.31 0.00 2.99 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 0.00 143 L 8.20 3.97 0.00 1.79 1.70 0.91 1.08 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 0.00 144 E 8.36 3.93 0.00 2.13 2.04 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 2.30 2.22 0.00 145 L 8.00 3.94 0.00 1.81 1.69 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.02 3.67 2.22 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 0.95 0.00 0.00 0.94 0.00 0.00 147 R 8.34 4.03 0.00 2.10 2.03 0.00 3.11 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 148 S 7.52 4.75 0.00 4.06 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 0.00 149 R 7.58 3.81 0.00 2.02 1.91 0.00 3.19 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 150 G 7.96 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 0.00 0.00 0.00 151 D 8.25 4.57 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.98 3.68 1.42 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.84 0.00 0.00 153 P 0.00 4.38 0.00 2.09 1.97 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 154 P 0.00 4.58 0.00 2.17 2.04 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 155 L 8.82 4.20 0.00 1.55 1.60 0.56 0.98 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 0.00 156 P 0.00 4.60 0.00 2.18 2.09 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 157 L 7.73 4.22 0.00 1.69 1.83 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.06 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 0.00 0.00 0.00 159 G 8.46 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 0.00 0.00 0.00 160 P 0.00 4.60 0.00 2.02 1.94 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 161 L 8.59 5.43 0.00 1.64 1.58 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.79 4.34 0.00 0.27 0.51 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.27 4.91 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 0.00 164 V 8.79 4.14 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 0.96 0.00 0.00 0.77 0.00 0.00 165 D 8.71 5.05 0.00 2.70 2.57 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 0.00 0.00 0.00 166 T 8.41 4.43 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 1.21 0.00 0.00 167 T 8.24 3.65 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 0.13 0.00 0.00 168 F 7.53 4.80 0.00 3.21 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 0.00 169 P 0.00 4.28 0.00 2.19 2.11 0.00 3.66 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 2.11 2.07 0.00 170 E 8.28 4.08 0.00 1.98 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 2.23 1.91 0.00 171 Q 8.04 4.28 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 172 I 7.57 3.98 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.91 0.00 0.00 173 D 8.34 4.70 0.00 2.67 2.54 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 0.00 0.00 0.00 0.00 *175 N 8.44 4.62 0.00 2.88 2.97 0.00 0.00 6.76 8.12 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 0.00 176 A 8.50 4.12 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 0.00 177 I 7.62 3.70 1.89 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 1.33 1.13 0.91 0.00 0.00 178 V 7.85 3.67 2.25 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 1.20 0.00 0.00 0.97 0.00 0.00 179 Q 8.68 4.01 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 180 W 8.57 4.17 0.00 3.50 3.44 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 0.00 0.00 0.00 0.00 181 V 8.11 3.56 2.34 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 1.06 0.00 0.00 1.30 0.00 0.00 182 R 8.42 3.96 0.00 2.03 1.96 0.00 3.21 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 183 Q 8.24 3.91 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 184 H 7.39 4.22 0.00 2.82 3.10 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.14 4.17 0.00 1.71 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.29 4.20 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 187 S 7.63 4.61 0.00 3.71 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 * Residues marked with a * may have inaccurate shift predictions.