NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4756 8.3349 115.4192 57.6287 65.3228 173.7912 2 L 4.3316 7.7800 122.5509 54.2661 43.0004 174.3772 3 K 5.1310 9.0090 121.9588 54.5290 36.2884 174.4929 4 L 5.2127 9.4460 126.9296 53.7181 44.3056 174.5029 5 Y 4.9420 9.8128 125.7529 56.4026 39.4448 176.0441 6 G 4.3121 8.0511 111.6126 47.1239 0.0000 170.9843 7 F 4.5423 6.2551 112.8760 55.0370 40.6334 175.4042 8 S 4.3110 8.3452 117.8048 60.3430 62.8906 175.4897 9 V 3.6170 7.3249 119.2861 64.2965 31.9645 175.9539 10 S 3.7594 6.5074 116.1807 57.4731 62.5519 174.3160 11 N 3.9975 8.6103 125.7628 56.1333 37.4737 175.7045 12 Y 4.2756 7.9295 115.5159 60.9510 38.3489 177.1828 13 Y 4.2065 8.0957 120.3811 60.8427 39.1216 179.7905 14 N 4.3199 7.7374 118.4423 52.6775 37.7302 177.4188 *16 V 3.9184 7.9468 119.3708 62.7811 33.7009 176.9344 17 K 3.3060 7.9160 120.6270 59.3021 31.8566 178.4710 18 L 3.9277 8.2928 120.6082 57.9396 42.0101 178.6165 19 A 3.9242 7.8766 120.1769 55.3395 18.3277 179.4459 20 L 3.8226 7.7520 117.3908 57.7671 41.5632 179.8643 21 L 3.9860 7.9498 118.9935 57.8345 41.3632 179.1751 22 E 4.0043 8.2760 118.3525 58.8624 29.3826 178.0347 23 K 4.3749 8.1448 116.5859 55.3717 32.0428 177.2875 24 G 3.7921 7.7454 107.0979 46.4926 0.0000 173.8578 25 L 4.5863 8.0701 119.0276 53.0950 43.0810 176.9772 26 T 4.2555 8.3862 119.5244 63.4783 69.1225 173.9956 27 F 5.2450 8.1597 119.6489 55.7132 41.1794 172.7848 28 E 4.5265 9.1985 121.9018 54.6937 31.5321 174.5645 29 E 5.0341 8.6508 126.1918 55.6715 31.2682 175.8499 30 V 4.2283 8.5269 123.0694 60.9543 34.5558 174.6590 31 T 4.2826 8.4979 125.1411 63.8246 68.9477 173.8331 32 F 4.7858 8.7632 128.8792 57.5596 43.0003 174.0168 33 Y 4.1954 8.2414 122.5122 56.6616 39.5141 177.8966 34 G 2.9995 6.0160 108.3458 48.6206 0.0000 173.8660 35 G 3.7569 9.1431 112.9487 44.9831 0.0000 172.5069 36 Q 4.3335 8.2774 116.0893 55.5845 29.3201 176.6698 37 A 4.0878 7.8040 121.4178 51.7513 19.8660 176.6383 38 P 4.2090 0.0000 0.0000 65.9059 30.0113 179.1463 39 Q 4.0453 8.1651 116.0781 58.8892 28.5410 178.6648 40 A 4.5344 7.8816 121.3860 55.1656 18.2083 179.4766 41 L 4.2370 8.3887 117.4481 57.5230 41.3965 179.4151 42 E 4.0941 7.8660 118.0506 58.5915 29.3726 178.7710 43 V 3.3392 6.8051 117.3075 63.2143 32.0139 175.8305 44 S 4.4034 8.0799 114.5136 55.7550 63.9781 172.5234 45 P 4.4749 0.0000 0.0000 63.9190 31.3200 177.2726 46 R 4.3377 8.0393 116.1346 55.5830 30.7768 176.1165 47 G 3.9284 8.5178 105.2906 46.3172 0.0000 173.8882 48 K 4.5286 7.7008 117.9289 55.4032 33.1564 176.2581 49 V 4.5483 8.1036 119.9445 60.5994 32.6243 173.3676 50 P 5.1682 0.0000 0.0000 61.5974 34.6837 173.7185 51 V 4.7103 8.7705 118.5386 61.0904 34.8526 173.8988 52 L 4.9016 9.1126 130.3385 53.9601 43.6636 174.5082 53 E 4.7680 9.5874 128.8355 55.2235 31.2946 175.0309 54 T 5.0890 8.4949 117.2524 59.2683 72.0037 174.9583 55 E 3.9491 8.8659 118.7637 58.9287 29.4990 177.3507 56 H 4.5019 8.0693 115.2107 55.0074 29.6495 173.4493 57 G 3.4436 6.9836 105.4074 43.7037 0.0000 172.4813 58 F 5.1276 8.1468 117.8348 56.6879 40.3895 175.6384 59 L 4.8394 8.8720 122.4770 52.9619 44.8837 176.2774 60 S 4.9448 8.6528 117.6788 57.3809 66.3085 169.7357 61 E 3.7198 8.1588 123.8773 56.6735 28.3455 175.5893 62 T 3.9232 8.6339 121.4673 67.0036 68.6562 176.2913 63 S 4.1299 8.0765 115.2065 61.4427 62.9348 176.6158 64 V 3.5593 7.6453 121.2488 65.7537 31.3771 177.7238 65 I 3.7339 7.9408 119.7974 64.5284 36.9925 178.4129 66 L 3.9791 8.2490 119.8684 57.9596 41.5383 179.2796 67 D 4.3753 8.0279 118.5337 57.5166 40.7270 178.2913 68 Y 4.0075 8.2394 119.9855 60.7115 38.8063 178.1262 69 I 3.6240 8.1350 120.9360 64.4871 36.9976 178.2464 70 E 3.9207 7.9768 118.1976 59.4246 29.3175 178.9018 71 Q 4.0458 7.8077 118.8557 58.2609 29.2833 177.0712 72 T 4.2733 7.4360 107.9849 60.6649 69.9680 174.0916 73 Q 4.6186 7.2705 120.0415 53.9815 31.9780 175.6258 74 G 3.8362 8.2430 108.6309 44.3762 0.0000 173.0213 75 G 3.8399 8.7192 104.9329 44.9180 0.0000 172.7208 76 K 3.6163 8.4132 118.1056 56.7084 32.1926 175.9206 77 A 4.1316 8.5112 129.0879 52.4004 19.0981 176.8650 78 L 4.6623 9.0129 121.7713 54.1482 42.2012 176.1081 79 L 4.9550 7.3926 117.0949 52.0717 45.5323 174.2763 80 P 4.4761 0.0000 0.0000 62.3913 32.1212 176.1979 81 A 4.1795 8.3762 120.8989 53.9699 18.9812 178.0934 82 D 4.8170 7.7920 116.0961 52.0529 42.2263 175.8941 83 P 4.5013 0.0000 0.0000 65.0579 31.3607 178.9106 84 F 4.1043 8.3070 119.4342 61.1921 39.4479 177.2844 85 G 3.6474 8.8213 105.6444 47.8290 0.0000 175.6586 86 Q 3.9461 8.3773 120.2992 58.8026 28.6802 178.8189 87 A 3.9379 7.9710 121.7729 54.8598 18.3171 179.5551 88 K 3.6729 7.9633 118.5806 59.4987 32.1436 179.1466 89 V 3.5232 7.7114 118.5592 66.1445 31.3429 178.2961 90 R 3.9709 7.6736 117.5664 58.7882 29.8531 178.5677 91 E 3.8896 8.4569 119.7135 59.2791 29.6569 178.9270 92 L 4.1336 8.0026 119.0069 57.6901 41.6157 179.1655 93 L 3.9448 8.2438 120.6877 58.1313 41.9320 178.9485 94 K 3.8660 8.2610 119.6306 59.5803 32.1321 178.6468 95 E 3.9808 8.4168 118.9461 59.3387 29.2982 179.4252 96 I 3.6745 7.9375 119.9427 64.1992 37.1526 178.0130 97 E 3.9032 8.2700 120.2052 59.5465 29.3509 178.9650 98 L 3.8337 7.6722 117.6608 56.6646 41.9540 177.9595 99 Y 4.8544 7.5096 114.0684 57.7389 38.6944 176.0878 100 I 4.0466 7.2162 118.6819 62.4454 39.9113 177.1091 101 E 3.8758 8.5208 120.3151 59.4050 29.2385 178.8377 102 L 3.9763 8.0381 119.2034 57.3739 41.5214 177.9427 103 P 4.2346 0.0000 0.0000 65.5789 31.5297 177.9821 104 A 4.1481 7.9712 120.7289 55.0929 18.3395 179.4713 105 R 2.0000 7.9177 117.6601 58.9157 29.7417 178.6245 106 T 3.9498 7.3091 108.3121 63.8599 68.7915 175.0279 107 C 4.6857 7.9036 118.3849 59.6136 28.8672 174.9186 108 Y 4.3810 8.0928 121.8570 60.5717 37.6400 178.1276 109 A 4.1387 8.2861 121.1623 55.3219 18.1378 179.2149 110 E 3.9779 8.0196 116.2641 59.3988 30.1399 178.6010 111 S 4.0503 8.2007 114.5169 60.5809 62.7315 175.6929 112 F 4.8749 8.1978 119.6564 58.1750 40.8210 175.5559 *113 F 4.6919 7.5348 117.4574 56.4692 40.5877 175.3232 114 G 3.9563 8.2925 108.1317 46.3101 0.0000 173.7921 *116 S 4.3079 7.9119 112.8627 57.6663 63.4503 172.5243 117 V 4.3414 8.5809 126.9928 60.5900 33.4106 175.5730 118 E 3.9399 8.6821 125.7003 56.3768 30.8942 175.9746 119 P 4.2338 0.0000 0.0000 65.9682 31.4626 178.4612 120 L 4.0747 7.9517 118.2991 58.2617 41.8879 179.0358 121 I 3.7701 7.5742 119.3131 64.1687 37.0753 178.3889 122 K 4.0110 8.0357 119.2965 59.4181 32.0222 179.1027 123 E 3.9770 8.6693 119.2594 59.4850 29.3403 179.5206 124 K 3.9829 8.1382 119.2573 59.3343 32.2123 178.6196 125 A 4.0083 8.4081 121.5726 55.1315 18.2273 179.5096 126 R 3.9906 8.4641 117.2382 59.6248 30.3191 178.5104 127 A 4.0443 7.8957 119.9845 55.4543 18.4046 179.3626 128 D 4.3630 8.4539 117.6208 57.5477 40.8925 179.1151 129 L 4.0009 8.4354 119.9365 57.5450 41.6042 179.3262 130 L 4.1759 8.3474 118.9461 57.9915 41.5431 179.5631 131 A 4.1193 8.0961 120.4207 55.0790 18.3336 179.9213 132 G 4.0422 8.4852 106.0486 47.5785 0.0000 176.0025 133 F 4.2063 8.8735 120.3911 60.1647 38.9416 177.6737 134 A 3.9805 8.2756 120.5268 55.3072 18.1441 179.7710 135 T 3.8212 8.2326 114.5671 66.8428 68.5392 176.5813 136 L 4.1621 8.1865 122.1749 58.0644 41.8839 178.9441 137 K 4.1178 8.0681 119.1911 59.4439 32.1645 178.7136 138 R 4.1273 8.0411 115.3933 58.5847 29.6839 177.4098 139 N 4.7634 8.3422 116.1658 53.5773 39.8806 175.5371 140 G 3.7903 8.0692 109.2591 45.4588 0.0000 173.6199 141 R 4.1947 8.7400 120.9614 56.2910 31.4745 177.1132 142 F 4.0217 7.5934 114.1324 57.6495 36.2139 175.3129 143 A 4.6918 8.0271 119.3317 51.2509 19.9380 176.3999 144 P 4.6963 0.0000 0.0000 64.2786 32.8148 175.6267 145 Y 4.2830 7.2284 117.6748 57.1644 38.8695 176.6342 146 V 2.3674 9.2614 121.8231 65.6343 31.3867 177.5791 147 A 4.4940 8.5609 118.3378 51.4728 20.4585 177.9657 148 G 4.1796 6.8144 105.1045 46.0800 0.0000 175.2266 149 E 4.9535 8.4524 122.7690 55.5139 30.6098 175.5966 150 Q 4.5041 7.6306 116.9015 53.0566 31.5956 175.0452 151 L 3.3348 7.2548 122.8263 55.2731 42.6514 176.1927 152 T 4.8002 8.8725 114.9578 59.3781 72.5142 174.3653 153 L 3.8864 8.4392 120.6015 58.0634 41.6705 180.1707 154 A 4.1016 7.6725 119.9002 54.9607 18.5992 178.4896 155 D 4.5597 8.1988 116.0931 57.3109 41.1418 178.7071 156 L 4.3698 7.7272 116.0371 55.6478 41.2128 178.5400 *158 F 4.5977 8.1861 122.3621 58.3862 40.7325 176.9054 159 C 4.1509 8.3464 114.2201 60.1497 29.5647 174.5831 160 F 4.8702 7.4305 118.0218 57.5784 39.3228 176.5905 161 S 4.5496 7.4201 114.8950 60.3228 64.1122 176.3765 162 V 3.6336 7.7499 121.4570 65.4820 31.2225 177.6572 163 D 4.3441 7.8633 118.6986 56.7666 39.1777 178.7048 164 L 4.2363 7.9399 120.2329 57.0023 41.5966 179.2157 165 A 4.2681 8.3484 121.0729 55.1944 18.3176 179.2207 166 N 4.5177 8.9150 115.8710 56.6195 38.9633 177.0043 167 A 4.0684 8.1508 122.0974 55.1949 18.5399 179.7492 168 V 3.6165 8.2601 116.9230 65.9372 31.5243 178.2707 169 G 3.7616 8.5685 107.1067 47.2878 0.0000 175.8304 170 K 3.9271 7.9695 120.1216 58.8840 32.1918 179.4659 171 K 4.1408 8.3528 118.0767 58.5447 32.1422 178.0980 172 V 4.1751 7.8538 116.8544 63.1593 33.0811 175.9834 173 L 4.5535 7.8273 115.7477 53.5222 42.7124 175.4661 174 N 4.1615 8.1151 114.9081 54.1569 36.1864 174.2469 175 I 4.2639 7.6371 116.7057 59.4903 41.1272 174.8593 176 D 4.6512 8.0727 124.3534 52.2944 40.3763 176.5723 177 F 4.0857 8.0753 125.9470 59.7823 39.1355 176.9374 178 L 4.3658 8.2459 119.1596 55.3105 42.1202 178.3887 179 A 4.0280 7.7784 122.0380 54.5459 18.2588 178.0444 180 D 4.9951 8.0079 112.9260 53.0924 40.4871 176.5188 181 F 5.1149 8.0273 119.6897 56.1469 39.2909 173.4211 182 P 4.3151 0.0000 0.0000 65.7220 31.6909 178.5484 183 Q 3.8092 8.1566 117.2554 58.9146 28.6189 178.6967 184 A 3.6763 6.8617 120.9485 54.4630 18.4606 179.3879 185 K 3.8429 7.9557 118.0525 59.6112 32.3022 178.9023 186 A 3.9613 8.0270 121.0216 55.0969 18.0856 179.3530 187 L 3.8091 7.5326 117.4365 58.1410 42.1955 178.5950 188 L 4.2885 8.0145 119.4286 58.2195 42.0996 178.4075 189 Q 4.1554 7.7800 118.1823 58.8911 29.2519 178.5933 190 L 4.1311 7.7701 118.5394 55.7586 41.7029 178.5633 *192 G 3.8903 8.0604 107.4900 44.7975 0.0000 174.0718 193 E 4.3673 7.8468 117.1804 56.0115 29.8606 176.0382 194 N 4.4360 7.9464 118.6561 52.8403 39.4031 173.1650 195 P 4.3058 0.0000 0.0000 65.4858 32.3593 176.5459 196 H 4.5991 8.6561 120.2378 54.2844 27.7046 173.9678 *198 P 4.3411 0.0000 0.0000 62.6194 33.9843 179.6537 199 R 3.8978 8.0900 117.1947 59.5787 29.9513 178.2413 200 I 3.7376 7.7123 119.3380 64.6801 37.0723 178.4953 201 L 4.0439 7.9656 118.9008 57.5547 41.5513 179.2390 202 A 4.0098 8.3825 121.1857 55.1760 18.2668 179.4095 203 D 4.3199 8.4739 117.8082 57.2556 40.6771 178.7201 204 K 3.9105 7.9483 119.0605 59.5741 32.2435 177.7104 205 E 4.0737 8.2077 118.0453 59.6684 29.5902 178.6457 206 A 4.1578 8.0639 119.0566 53.9763 19.8437 178.8181 207 S 4.5091 7.6650 115.0624 57.1131 60.0503 173.2551 *209 P 4.3127 0.0000 0.0000 63.2221 33.7735 178.7600 210 A 4.0939 8.1262 119.6469 55.1835 18.4481 179.0254 211 F 4.0274 8.1228 113.8430 59.3766 39.0666 174.8849 *213 E 3.9886 8.1114 117.7563 55.6254 30.5839 177.3106 *215 I 3.8853 7.8209 119.2908 60.8334 39.1600 177.6254 216 R 3.9621 7.7362 117.9432 59.2426 30.2437 176.5990 217 S 4.2311 7.7247 116.9334 58.7757 62.6857 174.0746 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 S 8.33 4.48 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.78 4.33 0.00 1.83 1.72 0.98 0.87 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 3 K 9.01 5.13 0.00 1.94 1.85 0.00 2.02 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 4 L 9.45 5.21 0.00 1.73 1.71 0.89 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.81 4.94 0.00 2.81 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 6 G 8.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 6.26 4.54 0.00 2.81 2.30 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 8 S 8.35 4.31 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.32 3.62 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 0.67 0.00 0.00 1.04 0.00 0.00 10 S 6.51 3.76 0.00 2.72 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 11 N 8.61 4.00 0.00 2.88 2.77 0.00 0.00 6.25 7.55 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 12 Y 7.93 4.28 0.00 3.06 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 13 Y 8.10 4.21 0.00 2.82 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 14 N 7.74 4.32 0.00 1.94 1.48 0.00 0.00 6.68 6.98 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 *16 V 7.95 3.92 1.86 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 0.86 0.00 0.00 0.90 0.00 0.00 17 K 7.92 3.31 0.00 1.30 1.66 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.51 7.81 18 L 8.29 3.93 0.00 2.04 1.80 1.06 1.38 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 19 A 7.88 3.92 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 20 L 7.75 3.82 0.00 1.05 1.31 0.02 0.42 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 21 L 7.95 3.99 0.00 1.71 1.31 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.28 4.00 0.00 2.02 2.12 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 2.30 2.38 0.00 23 K 8.14 4.37 0.00 1.82 1.93 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.52 7.81 24 G 7.75 3.79 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 0.00 0.00 0.00 25 L 8.07 4.59 0.00 1.75 1.65 0.89 0.70 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 26 T 8.39 4.26 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 27 F 8.16 5.25 0.00 3.02 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 28 E 9.20 4.53 0.00 2.04 1.86 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 2.18 2.22 0.00 29 E 8.65 5.03 0.00 1.94 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 0.00 2.64 2.33 0.00 30 V 8.53 4.23 1.12 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 0.41 0.00 0.00 0.55 0.00 0.00 31 T 8.50 4.28 4.18 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 0.00 0.00 0.00 0.94 0.00 0.00 32 F 8.76 4.79 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.09 4.38 0.00 3.10 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 0.00 109 A 8.29 4.14 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 0.00 110 E 8.02 3.98 0.00 1.97 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 2.26 2.34 0.00 111 S 8.20 4.05 0.00 3.40 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 0.00 112 F 8.20 4.87 0.00 3.09 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 *113 F 7.53 4.69 0.00 2.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.29 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 *116 S 7.91 4.31 0.00 3.87 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 V 8.58 4.34 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 0.87 0.00 0.00 0.94 0.00 0.00 118 E 8.68 3.94 0.00 2.12 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 2.39 2.49 0.00 119 P 0.00 4.23 0.00 2.20 2.11 0.00 3.66 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 2.12 2.17 0.00 120 L 7.95 4.07 0.00 1.71 1.67 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.57 3.77 2.04 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 1.64 0.53 0.91 0.00 0.00 122 K 8.04 4.01 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 123 E 8.67 3.98 0.00 2.19 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 0.00 2.35 2.39 0.00 124 K 8.14 3.98 0.00 1.97 1.97 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 125 A 8.41 4.01 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 0.00 126 R 8.46 3.99 0.00 2.05 2.17 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 127 A 7.90 4.04 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 0.00 128 D 8.45 4.36 0.00 2.79 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 0.00 129 L 8.44 4.00 0.00 1.79 1.13 1.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.35 4.18 0.00 1.95 1.84 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.10 4.12 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 0.00 132 G 8.49 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 0.00 0.00 0.00 133 F 8.87 4.21 0.00 3.17 3.20 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 0.00 134 A 8.28 3.98 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 0.00 135 T 8.23 3.82 4.44 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 1.27 0.00 0.00 136 L 8.19 4.16 0.00 1.94 2.17 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.07 4.12 0.00 1.00 1.74 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.31 0.98 7.81 138 R 8.04 4.13 0.00 2.04 2.05 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 139 N 8.34 4.76 0.00 2.82 2.94 0.00 0.00 7.19 7.58 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 0.00 140 G 8.07 3.79 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 0.00 0.00 0.00 141 R 8.74 4.19 0.00 1.70 2.01 0.00 3.51 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 142 F 7.59 4.02 0.00 3.23 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 0.00 143 A 8.03 4.69 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 0.00 144 P 0.00 4.70 0.00 1.86 2.11 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.52 0.00 145 Y 7.23 4.28 0.00 3.14 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 0.00 146 V 9.26 2.37 1.85 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 0.60 0.00 0.00 0.47 0.00 0.00 147 A 8.56 4.49 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 0.00 148 G 6.81 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.45 4.95 0.00 2.00 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 2.47 2.30 0.00 150 Q 7.63 4.50 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 151 L 7.25 3.33 0.00 0.76 1.15 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.87 4.80 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 1.17 0.00 0.00 153 L 8.44 3.89 0.00 1.72 1.78 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.67 4.10 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 0.00 155 D 8.20 4.56 0.00 2.86 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 0.00 156 L 7.73 4.37 0.00 1.92 1.79 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *158 F 8.19 4.60 0.00 3.22 3.30 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 0.00 159 C 8.35 4.15 0.00 2.94 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 7.43 4.87 0.00 2.95 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 0.00 161 S 7.42 4.55 0.00 3.73 3.79 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 0.00 162 V 7.75 3.63 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 1.10 0.00 0.00 0.53 0.00 0.00 163 D 7.86 4.34 0.00 2.89 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 0.00 164 L 7.94 4.24 0.00 1.88 1.94 0.62 0.37 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 0.00 165 A 8.35 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.92 4.52 0.00 3.08 2.91 0.00 0.00 7.08 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 0.00 167 A 8.15 4.07 1.67 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 0.00 168 V 8.26 3.62 2.43 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 1.11 0.00 0.00 1.20 0.00 0.00 169 G 8.57 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 0.00 170 K 7.97 3.93 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.62 7.81 171 K 8.35 4.14 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 172 V 7.85 4.18 2.26 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 0.80 0.00 0.00 0.87 0.00 0.00 173 L 7.83 4.55 0.00 1.77 1.67 1.14 1.16 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 0.00 174 N 8.12 4.16 0.00 2.77 2.80 0.00 0.00 6.76 7.45 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 0.00 175 I 7.64 4.26 1.12 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 1.21 1.36 0.22 0.00 0.00 176 D 8.07 4.65 0.00 2.56 2.46 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 0.00 177 F 8.08 4.09 0.00 2.49 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 0.00 0.00 0.00 0.00 178 L 8.25 4.37 0.00 1.84 1.70 0.93 0.92 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 0.00 179 A 7.78 4.03 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 0.00 180 D 8.01 5.00 0.00 2.75 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 0.00 181 F 8.03 5.11 0.00 3.08 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 0.00 182 P 0.00 4.32 0.00 2.30 2.31 0.00 3.94 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 2.11 2.08 0.00 183 Q 8.16 3.81 0.00 1.51 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 184 A 6.86 3.68 0.35 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 0.00 185 K 7.96 3.84 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 186 A 8.03 3.96 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 0.00 187 L 7.53 3.81 0.00 1.61 1.58 0.70 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.01 4.29 0.00 2.01 1.87 0.77 0.52 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 0.00 189 Q 7.78 4.16 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 190 L 7.77 4.13 0.00 1.83 1.75 0.90 0.63 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 *192 G 8.06 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 0.00 193 E 7.85 4.37 0.00 2.18 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 2.48 2.38 0.00 194 N 7.95 4.44 0.00 2.71 2.76 0.00 0.00 7.09 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.31 0.00 2.07 2.12 0.00 3.81 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 1.86 1.95 0.00 196 H 8.66 4.60 0.00 3.33 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *198 P 0.00 4.34 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 199 R 8.09 3.90 0.00 1.96 2.16 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 200 I 7.71 3.74 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.50 0.95 0.00 0.00 201 L 7.97 4.04 0.00 1.72 1.74 0.95 1.01 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 0.00 202 A 8.38 4.01 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 0.00 203 D 8.47 4.32 0.00 2.93 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 0.00 204 K 7.95 3.91 0.00 1.82 2.02 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 205 E 8.21 4.07 0.00 2.00 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 0.00 2.35 2.51 0.00 206 A 8.06 4.16 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 0.00 207 S 7.67 4.51 0.00 4.13 4.21 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 *209 P 0.00 4.31 0.00 2.11 2.21 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 210 A 8.13 4.09 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 0.00 211 F 8.12 4.03 0.00 3.11 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 *213 E 8.11 3.99 0.00 2.13 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 2.21 2.31 0.00 *215 I 7.82 3.89 1.50 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.20 0.74 0.00 0.00 216 R 7.74 3.96 0.00 1.87 1.91 0.00 3.14 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 217 S 7.72 4.23 0.00 3.76 3.70 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 * Residues marked with a * may have inaccurate shift predictions.