NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3141 8.1749 117.3711 62.8635 69.7936 173.5181 3 K 4.7243 8.4331 126.0375 55.6081 33.0065 174.7437 4 Q 4.5707 8.7654 123.5726 54.5686 33.3181 172.9603 5 V 4.8989 8.4938 125.7876 61.3605 34.5400 173.5444 6 Y 5.2102 9.1042 125.5517 56.3566 40.8429 174.6160 7 I 5.0094 8.6751 123.8010 59.5732 40.4982 174.5369 8 I 4.5167 8.6800 127.9607 59.5725 40.3143 175.5432 9 H 4.4963 8.2003 123.0989 54.8703 30.5817 173.5556 10 G 4.6731 8.4017 107.0407 44.2739 0.0000 171.9123 11 Y 4.3611 8.8784 120.9925 59.2836 39.2722 177.3288 12 R 3.5979 8.5367 125.2235 56.9593 28.0372 175.4089 13 A 4.8433 7.7442 117.5508 50.8589 22.9300 175.3005 14 S 4.3228 8.8418 113.0610 56.8089 66.0239 174.9819 15 S 4.2876 8.9661 114.8580 60.7690 62.5428 175.0477 16 T 4.2826 7.3754 109.4451 62.0732 69.1323 174.6821 17 N 4.7186 8.0968 120.6746 53.1934 40.9974 175.8641 18 H 3.9865 8.3591 116.9852 57.5073 27.6235 176.8781 19 W 4.9892 6.5654 125.9306 56.8090 28.2160 177.8456 20 F 4.3908 6.5737 120.0991 60.5742 38.4072 175.6508 21 P 4.3048 0.0000 0.0000 65.2813 31.1151 178.2637 22 W 4.1761 8.3783 126.6896 60.5180 30.6069 177.5735 23 L 3.9242 8.6789 120.2290 57.9507 41.6503 178.5339 24 K 3.8695 8.3261 119.7336 59.8374 32.1849 178.8933 25 K 3.9204 8.0070 118.4139 59.2283 31.5901 179.4492 26 R 3.3605 7.6254 119.3372 58.9851 29.7464 178.6067 27 L 4.1015 7.8270 118.8843 57.7323 41.6008 179.0988 28 L 3.9824 7.9993 120.0426 58.1710 41.7137 178.8923 29 A 4.0531 7.6893 119.5504 54.4094 18.3086 178.2289 30 D 4.7309 7.3152 115.2599 53.6937 41.2319 177.1294 31 G 3.8117 8.1248 108.0045 45.8861 0.0000 173.2121 32 V 4.1970 7.6222 119.4951 60.8059 33.0518 175.1973 33 Q 4.3001 8.5811 129.2895 55.7723 30.1253 174.1857 34 A 5.2547 8.5265 127.3306 50.2365 22.4960 174.5890 35 D 4.8367 8.8755 120.9391 52.4813 44.5962 174.9985 36 I 4.4389 8.4937 124.7988 60.6805 38.0379 175.1786 37 L 4.3497 8.7098 128.0798 53.6079 42.8832 176.8589 38 N 4.6068 8.2082 121.5952 51.2602 41.0620 172.3197 *40 P 4.0816 0.0000 0.0000 64.5999 33.1798 175.8106 41 N 4.2764 8.7882 115.9004 54.0378 36.0146 173.7608 42 P 4.8190 0.0000 0.0000 65.3917 32.2286 179.0825 43 L 4.3001 7.9859 117.9162 56.8761 42.3430 177.1507 44 Q 4.6910 7.9325 116.4253 53.6212 29.4824 172.7983 45 P 4.7930 0.0000 0.0000 62.5081 32.9513 177.5614 46 R 4.7658 8.3941 118.5214 53.5545 33.8570 175.9790 47 L 2.9192 8.3633 126.0911 58.2044 42.0214 179.1292 48 E 3.9944 7.9950 117.6684 59.6214 29.4051 179.0277 49 D 4.4924 8.1106 118.4475 56.9460 40.9417 178.6843 50 W 4.1682 8.5555 119.6545 59.8217 29.1445 178.4928 51 L 4.0520 8.5063 119.3578 58.0112 40.8399 179.3464 52 D 4.4415 8.1142 117.7856 57.6384 41.0251 178.7348 53 T 4.0107 8.0428 116.1686 66.6862 68.5042 176.6722 54 L 3.7533 8.0174 121.3432 57.6781 41.5729 179.6814 55 S 4.5442 8.2040 113.6815 60.9304 62.6812 176.3464 56 L 3.9826 7.7194 122.1423 56.8832 41.4557 177.6698 57 Y 4.3427 7.7691 114.9136 57.6314 38.4713 177.1741 58 Q 4.1720 7.9727 122.6125 59.3934 28.9893 177.5290 59 H 4.4559 8.1602 113.7496 57.5430 28.8995 175.7085 60 T 4.4081 7.7604 109.5469 61.6113 69.2264 174.3512 61 L 4.5306 7.6847 123.5250 54.0616 42.7674 175.5649 62 H 4.9058 8.5858 118.8832 54.2260 31.3682 173.4825 63 E 4.4571 8.8204 115.4071 58.4141 29.7429 177.0263 64 N 4.9723 8.2657 116.8901 53.2709 39.5151 173.4094 65 T 5.0507 7.5059 115.1317 62.3280 71.0279 173.5410 66 Y 5.3428 9.0983 122.2129 56.2626 42.3961 174.2090 67 L 5.3248 9.2094 123.4594 53.0035 44.7999 175.4349 68 V 5.0030 9.0937 124.1085 61.1315 34.0002 174.1990 69 A 5.3812 9.3234 129.0160 50.3924 23.1371 173.8127 70 H 5.5682 9.0899 119.5962 54.9163 33.1335 173.5817 71 S 4.1461 9.8205 120.4054 58.0916 62.9851 175.1912 72 L 4.0407 9.3000 121.7554 57.9385 41.4218 177.4938 73 G 3.8904 8.5581 105.7113 47.8849 0.0000 175.0959 74 C 4.1684 8.3575 119.6614 62.4885 28.1207 174.3893 75 P 4.2039 0.0000 0.0000 65.5858 30.8350 178.2743 76 A 4.2113 7.9670 121.1627 55.2959 18.3693 179.6954 77 I 3.9330 8.1361 111.4848 63.8284 37.6938 178.4397 78 L 4.0777 8.1983 121.1153 57.9156 41.2600 179.5822 79 R 3.9734 8.3246 116.9700 59.0577 30.1455 178.5072 80 F 4.4675 8.5822 120.5458 61.6041 39.5528 177.3137 81 L 3.8622 8.4259 118.6869 57.6378 41.1200 179.2140 82 E 4.0072 8.0718 118.0340 59.0989 29.4256 178.1296 83 H 4.8555 7.4610 113.0453 54.2921 29.3899 174.2238 84 L 4.0842 6.8781 123.6381 53.6476 42.6647 175.7650 85 Q 4.2227 8.4836 127.5212 55.2287 29.0722 174.5554 86 L 4.8234 8.1217 125.1321 52.8973 44.5648 177.2500 87 R 4.0493 8.6541 121.4445 58.7475 30.4459 176.2861 88 A 4.5750 7.4526 117.3387 50.1682 22.3047 175.2900 89 A 4.1578 8.3439 122.2534 51.9397 19.1429 177.8486 90 L 4.4084 8.4994 121.8580 54.5210 42.5941 178.8792 91 G 2.9290 8.4665 110.0860 47.0686 0.0000 173.8944 92 G 4.4564 6.5816 106.7973 46.0584 0.0000 171.4467 93 I 5.4897 8.2531 112.6282 59.1435 41.3498 174.4465 94 I 5.0436 9.1366 125.1935 59.7502 40.7453 174.4012 95 L 4.8600 9.1193 128.2530 52.9678 43.3309 175.4666 96 V 4.1166 9.2022 125.8897 62.3332 32.4739 176.3013 97 S 4.1613 9.6471 126.0807 59.5151 61.0710 172.8314 98 G 3.9265 8.0749 107.7824 45.8653 0.0000 173.2296 99 F 4.9841 7.7388 114.1915 55.8659 40.4189 173.5781 100 A 4.5125 8.4785 122.8136 51.2702 19.6806 175.6630 101 K 4.7489 8.1865 116.3524 56.4462 35.6510 175.5277 102 S 4.2107 8.6808 113.8124 58.9287 62.7405 173.5899 103 L 4.4644 8.4443 127.1632 52.9545 41.6195 175.5767 104 P 4.2718 0.0000 0.0000 65.5479 31.3482 177.5927 105 T 4.2481 7.6498 105.2653 62.2619 69.9312 174.4838 106 L 4.6726 7.4983 121.3723 53.8805 42.8575 178.1498 107 Q 4.6674 7.4032 119.8274 55.5658 27.5597 178.1833 *109 L 4.3515 7.5800 115.6311 54.1969 43.6231 179.1793 110 D 4.5623 8.3485 121.7338 57.1744 40.8880 178.7098 111 E 4.0738 8.1847 115.9060 58.7954 29.8250 178.1730 112 F 4.0398 8.4444 118.2412 59.5470 39.0134 175.9589 113 T 4.8860 7.8483 107.5478 60.8310 69.4740 173.9657 114 Q 4.0734 7.9674 121.1646 57.3072 29.4709 176.6160 115 G 3.9090 8.6797 107.5752 45.5253 0.0000 173.4228 116 S 4.3639 8.1676 116.6891 58.4898 63.5433 173.8967 117 F 4.5883 8.4895 120.9229 56.0798 40.8867 176.6744 118 D 4.5544 9.4178 123.8569 53.5434 40.4884 176.8024 119 H 4.3121 8.3659 124.7754 58.6818 28.8809 177.1830 120 Q 3.9498 8.1480 120.9754 58.9251 28.7317 178.0257 121 K 3.9222 7.9242 119.3374 59.5191 32.6490 178.5119 122 I 3.8737 7.6222 119.5702 64.5062 37.0519 178.3248 123 I 3.7056 7.9640 120.7106 64.5764 36.8022 177.9750 124 E 4.2551 8.2211 116.7121 57.9881 29.7114 178.3006 125 S 4.6684 7.9145 114.4218 57.9103 63.1026 173.4877 126 A 4.8081 7.1809 123.4103 50.2813 21.2774 175.6772 127 K 4.0219 9.0477 126.0023 59.4741 33.0356 176.9536 128 H 4.8258 7.8989 116.7623 53.7873 31.6383 173.6482 129 R 5.3262 8.4291 120.3583 54.5782 34.3542 173.9767 130 A 5.2714 9.1085 123.7046 50.5541 23.5516 174.8785 131 V 4.8788 9.1468 120.5558 61.1551 34.6690 174.3211 132 I 5.2190 8.5463 128.2069 59.6046 39.6576 174.5567 133 A 5.2805 9.4579 127.9670 50.6018 23.4748 174.4303 134 S 5.0047 8.8477 115.1457 56.5557 63.5453 175.1246 135 K 3.4519 8.8763 129.5381 58.7186 31.7753 176.9419 136 D 4.7402 7.5376 115.8081 52.6249 39.3658 175.1296 137 D 4.6878 7.7673 119.7934 54.9320 41.1581 176.5415 138 Q 4.3992 8.5677 124.4669 56.1062 29.5182 175.9867 139 I 3.8724 8.2698 118.9027 62.4176 38.2490 176.4787 140 V 3.7274 7.3278 124.1146 59.9210 31.4364 173.2743 141 P 4.1577 0.0000 0.0000 62.2802 32.0135 177.3009 142 F 4.1613 9.2071 124.7077 61.9013 39.0057 177.7119 143 S 4.1188 8.2933 112.9727 61.6133 62.6844 176.4144 144 F 4.2285 8.5090 121.3735 60.4442 38.5152 177.8148 145 S 4.5568 7.8469 115.8330 60.6513 62.8190 176.3851 146 K 3.7040 7.7408 122.4601 59.1826 31.8788 178.2986 147 D 4.4064 8.2064 118.5611 57.3526 41.1620 178.0802 148 L 4.1239 8.1272 121.7989 57.5696 42.0130 178.5278 149 A 3.9754 8.1416 120.8848 55.4308 18.1067 179.7059 150 Q 3.8754 8.1415 116.2728 59.2700 28.6192 178.9417 151 Q 3.9250 8.2006 119.2856 57.8229 28.3525 178.0210 152 I 4.2118 7.4484 111.1223 59.8185 38.3006 175.2955 153 D 4.1931 7.3654 117.6761 55.9015 39.7696 172.8692 154 A 5.0348 7.9203 119.8486 49.8359 22.0652 178.1579 155 A 3.9665 8.6118 123.3625 52.0263 19.5826 176.2110 156 L 4.9952 8.2549 124.7116 53.5240 44.1101 175.0017 157 Y 4.6530 9.2189 124.4852 56.2707 40.2449 174.2855 158 E 5.0849 8.9807 126.0970 55.2836 31.2245 175.3490 159 V 4.3277 8.8009 127.0856 61.1341 33.3317 175.7366 160 Q 3.6864 9.0219 129.9032 58.8732 29.5054 176.1979 161 H 5.1639 7.5551 115.0022 52.4309 29.0578 173.0396 162 G 3.5826 8.0879 107.9392 43.6986 0.0000 172.3710 163 G 3.6232 7.3972 110.4599 47.2534 0.0000 174.4484 164 H 4.8581 9.5444 121.5539 54.2614 29.9662 173.4871 165 F 2.9574 6.9699 113.2174 57.9251 36.8392 175.2424 166 L 4.6547 7.7537 118.7886 52.6015 44.3029 178.0019 167 E 4.0566 8.9803 119.0769 59.7597 29.4919 178.4852 168 D 4.5906 8.1382 116.3547 55.4449 41.1170 176.3086 169 E 4.4141 8.3157 118.2142 56.0239 29.8476 176.8066 170 G 3.7827 8.1289 107.8030 45.2199 0.0000 174.6648 171 F 4.4821 7.6787 120.2972 56.5471 37.7442 175.8121 172 T 4.7642 7.7127 109.6231 61.4616 69.9278 175.0727 173 S 4.3982 7.3432 115.4585 56.9859 66.3681 174.3085 174 L 4.3159 6.6407 121.0170 51.9551 42.8507 173.4662 175 P 4.5276 0.0000 0.0000 65.3201 31.5217 177.3529 176 I 3.4658 7.6205 116.8119 64.0552 37.7858 177.9270 177 V 3.2733 7.3139 118.4793 65.9785 31.2453 177.3834 178 Y 3.9711 8.0117 118.7604 60.8159 38.7500 177.6565 179 D 3.8961 8.2670 119.9934 57.0622 40.6728 178.9075 180 V 3.1055 7.2417 117.8624 65.5211 31.8590 177.4503 181 L 3.0209 7.1444 119.8465 58.2481 42.0019 179.1683 182 T 2.7352 7.0149 115.8467 66.0614 68.2962 176.7668 183 S 4.0406 7.4755 116.2054 61.5089 62.6449 176.2311 184 Y 4.1512 6.9806 119.3807 60.9698 37.6029 178.1491 185 F 4.7088 7.3169 117.9380 60.4539 39.0280 177.6054 186 S 4.3584 8.0196 112.9560 61.1457 63.1744 174.2154 187 K 4.1931 7.8844 125.1666 56.5051 31.7690 176.5037 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 2 T 8.17 4.31 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 1.19 0.00 0.00 3 K 8.43 4.72 0.00 1.49 1.52 0.00 0.61 0.00 0.00 1.68 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.17 7.81 4 Q 8.77 4.57 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 5 V 8.49 4.90 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 1.12 0.00 0.00 1.06 0.00 0.00 6 Y 9.10 5.21 0.00 2.87 2.63 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 7 I 8.68 5.01 1.83 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 1.38 0.84 0.75 0.00 0.00 8 I 8.68 4.52 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.68 0.00 0.00 9 H 8.20 4.50 0.00 3.12 2.71 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.40 4.67 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 11 Y 8.88 4.36 0.00 2.79 2.97 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 12 R 8.54 3.60 0.00 1.43 1.71 0.00 2.97 0.00 0.00 2.99 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 13 A 7.74 4.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.84 4.32 0.00 4.04 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 15 S 8.97 4.29 0.00 3.99 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 16 T 7.38 4.28 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 17 N 8.10 4.72 0.00 2.78 2.10 0.00 0.00 6.89 7.43 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 18 H 8.36 3.99 0.00 1.74 2.30 0.00 5.60 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 6.57 4.99 0.00 3.71 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 20 F 6.57 4.39 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.30 0.00 2.23 2.15 0.00 3.60 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 2.14 2.31 0.00 22 W 8.38 4.18 0.00 3.56 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 23 L 8.68 3.92 0.00 2.47 2.19 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.33 3.87 0.00 1.91 2.00 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.60 7.81 25 K 8.01 3.92 0.00 1.66 1.70 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 26 R 7.63 3.36 0.00 0.67 1.06 0.00 2.56 0.00 0.00 2.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 27 L 7.83 4.10 0.00 1.99 1.89 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.00 3.98 0.00 1.80 1.78 0.89 1.03 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 29 A 7.69 4.05 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 30 D 7.32 4.73 0.00 2.82 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 31 G 8.12 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.62 4.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.85 0.00 0.00 33 Q 8.58 4.30 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 34 A 8.53 5.25 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.88 4.84 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.49 4.44 1.86 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 1.39 0.51 0.76 0.00 0.00 37 L 8.71 4.35 0.00 1.14 1.22 0.02 0.29 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 38 N 8.21 4.61 0.00 2.64 2.72 0.00 0.00 7.04 8.02 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 *40 P 0.00 4.08 0.00 2.32 2.13 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 41 N 8.79 4.28 0.00 3.08 3.00 0.00 0.00 6.79 8.03 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 42 P 0.00 4.82 0.00 2.33 2.51 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 43 L 7.99 4.30 0.00 1.74 1.85 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.93 4.69 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 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0.00 53 T 8.04 4.01 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 1.19 0.00 0.00 54 L 8.02 3.75 0.00 0.98 0.13 0.67 0.71 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 55 S 8.20 4.54 0.00 4.23 4.48 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 56 L 7.72 3.98 0.00 1.36 1.31 0.86 0.79 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 57 Y 7.77 4.34 0.00 2.86 2.61 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 58 Q 7.97 4.17 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 59 H 8.16 4.46 0.00 3.34 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.76 4.41 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 1.23 0.00 0.00 61 L 7.68 4.53 0.00 1.73 1.71 1.16 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 9.09 5.57 0.00 3.58 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.82 4.15 0.00 3.87 3.06 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 72 L 9.30 4.04 0.00 1.84 1.68 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.56 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 74 C 8.36 4.17 0.00 2.92 2.91 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 0.00 0.00 0.00 0.00 75 P 0.00 4.20 0.00 2.54 2.21 0.00 3.56 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.05 0.00 76 A 7.97 4.21 1.83 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 77 I 8.14 3.93 2.01 0.00 0.00 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 1.87 0.98 0.98 0.00 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0.00 0.00 0.00 0.00 1.34 0.98 0.90 0.00 0.00 95 L 9.12 4.86 0.00 1.61 1.67 0.93 0.61 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 96 V 9.20 4.12 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.84 0.00 0.00 97 S 9.65 4.16 0.00 4.29 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 98 G 8.07 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 99 F 7.74 4.98 0.00 3.34 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 0.00 100 A 8.48 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.19 4.75 0.00 1.79 1.73 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.97 7.81 102 S 8.68 4.21 0.00 3.92 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 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3.19 3.15 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 0.00 113 T 7.85 4.89 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 1.44 0.00 0.00 114 Q 7.97 4.07 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 115 G 8.68 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.17 4.36 0.00 3.83 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 0.00 117 F 8.49 4.59 0.00 2.98 2.98 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 0.00 118 D 9.42 4.55 0.00 2.63 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 0.00 119 H 8.37 4.31 0.00 3.26 3.50 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.15 3.95 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 121 K 7.92 3.92 0.00 1.90 2.00 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.52 7.81 122 I 7.62 3.87 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 0.94 0.00 0.00 123 I 7.96 3.71 2.00 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 1.26 0.90 0.00 0.00 124 E 8.22 4.26 0.00 2.01 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 2.33 2.42 0.00 125 S 7.91 4.67 0.00 4.06 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 0.00 126 A 7.18 4.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 9.05 4.02 0.00 1.64 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 1.26 7.81 128 H 7.90 4.83 0.00 2.07 1.56 0.00 5.61 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 0.00 129 R 8.43 5.33 0.00 1.72 1.80 0.00 3.11 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 130 A 9.11 5.27 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 0.00 0.00 0.00 0.00 0.00 131 V 9.15 4.88 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 1.02 0.00 0.00 0.96 0.00 0.00 132 I 8.55 5.22 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.62 0.00 0.00 133 A 9.46 5.28 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 0.00 134 S 8.85 5.00 0.00 3.12 3.49 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 0.00 135 K 8.88 3.45 0.00 1.31 1.76 0.00 1.30 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.15 1.21 7.81 136 D 7.54 4.74 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 7.77 4.69 0.00 2.87 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 0.00 138 Q 8.57 4.40 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 139 I 8.27 3.87 1.55 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.70 0.00 0.00 140 V 7.33 3.73 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 0.91 0.00 0.00 0.77 0.00 0.00 141 P 0.00 4.16 0.00 1.54 1.70 0.00 2.30 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.61 0.00 142 F 9.21 4.16 0.00 3.27 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 0.00 143 S 8.29 4.12 0.00 4.20 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 0.00 144 F 8.51 4.23 0.00 3.20 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 0.00 145 S 7.85 4.56 0.00 3.86 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 0.00 146 K 7.74 3.70 0.00 1.15 1.67 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.33 7.81 147 D 8.21 4.41 0.00 2.93 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 0.00 148 L 8.13 4.12 0.00 1.82 1.78 0.74 0.77 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 A 8.14 3.98 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 0.00 150 Q 8.14 3.88 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 151 Q 8.20 3.92 0.00 2.08 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 152 I 7.45 4.21 1.87 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 1.36 0.62 0.89 0.00 0.00 153 D 7.37 4.19 0.00 2.66 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 0.00 154 A 7.92 5.03 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 0.00 155 A 8.61 3.97 1.24 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 0.00 0.00 156 L 8.25 5.00 0.00 1.58 1.49 0.87 0.87 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 0.00 157 Y 9.22 4.65 0.00 2.89 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 0.00 158 E 8.98 5.08 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 159 V 8.80 4.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.12 0.00 0.00 160 Q 9.02 3.69 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.98 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 161 H 7.56 5.16 0.00 3.15 3.17 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.09 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 0.00 0.00 0.00 163 G 7.40 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 0.00 0.00 0.00 164 H 9.54 4.86 0.00 3.08 3.26 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 6.97 2.96 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 0.00 166 L 7.75 4.65 0.00 1.86 1.59 1.01 0.77 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 0.00 167 E 8.98 4.06 0.00 2.17 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 0.00 2.46 2.38 0.00 168 D 8.14 4.59 0.00 2.74 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 0.00 169 E 8.32 4.41 0.00 2.43 2.19 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 2.33 2.31 0.00 170 G 8.13 3.78 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 0.00 0.00 0.00 171 F 7.68 4.48 0.00 3.25 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 0.00 172 T 7.71 4.76 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 1.22 0.00 0.00 173 S 7.34 4.40 0.00 2.72 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 0.00 174 L 6.64 4.32 0.00 1.09 0.94 0.67 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.53 0.00 2.14 2.18 0.00 3.42 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 176 I 7.62 3.47 1.74 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 1.15 1.24 0.63 0.00 0.00 177 V 7.31 3.27 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 0.88 0.00 0.00 0.28 0.00 0.00 178 Y 8.01 3.97 0.00 3.30 3.35 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 0.00 179 D 8.27 3.90 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.24 3.11 1.60 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 0.39 0.00 0.00 0.12 0.00 0.00 181 L 7.14 3.02 0.00 1.52 1.29 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 182 T 7.01 2.74 3.69 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 1.01 0.00 0.00 183 S 7.48 4.04 0.00 3.99 4.04 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 0.00 184 Y 6.98 4.15 0.00 2.78 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 0.00 185 F 7.32 4.71 0.00 3.04 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 0.00 186 S 8.02 4.36 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 K 7.88 4.19 0.00 2.02 1.87 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.