NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.2583 8.4444 121.4730 55.7211 30.5596 176.4105 12 L 4.4436 8.8755 115.4072 54.0784 44.0238 174.3100 13 Q 4.8119 10.3849 125.7848 54.1018 33.0182 173.7483 14 L 5.2347 8.5324 122.1742 53.4521 43.4600 176.2100 15 V 4.9289 8.9719 116.1898 58.5963 36.2656 173.3159 16 P 4.3810 0.0000 0.0000 62.3813 31.6977 176.5009 17 F 4.6823 8.6917 127.1065 58.7597 40.0108 174.2524 18 Q 4.2993 7.0554 120.5041 53.2610 31.5808 175.6186 19 L 3.9157 8.2469 118.9518 57.6346 41.3351 179.8198 20 G 3.7350 7.8000 105.8193 46.7517 0.0000 174.1652 21 H 4.7565 7.9695 117.0499 56.2038 29.1040 176.8584 22 F 4.3053 8.0947 123.8671 60.9391 39.0171 175.1869 23 P 4.0267 0.0000 0.0000 64.9925 31.4715 178.5789 24 I 3.6306 7.3485 118.5873 64.0476 37.2390 177.5619 25 L 2.4400 6.9710 120.9697 57.8338 41.9330 178.7714 26 Q 3.7054 7.3726 119.2790 59.1842 28.5869 178.3368 27 R 4.1268 7.1503 116.7461 57.7305 30.2267 177.9534 28 W 4.6053 7.3747 117.5444 56.3298 29.1966 175.8159 29 F 4.9898 7.3279 116.6132 55.6906 40.4012 174.7353 30 A 4.3770 9.7276 130.2668 53.7286 19.3062 177.3064 31 T 4.6243 7.4912 104.7467 58.9098 73.4678 174.4010 32 E 4.0154 8.6677 121.1957 59.4693 29.5442 178.6563 33 K 4.1054 8.1359 119.1055 59.6646 32.1585 178.4700 34 E 4.2305 8.4071 118.7840 59.4495 29.3228 179.2470 35 L 3.9857 8.0838 118.7903 57.7155 41.6065 179.8457 36 V 4.2135 7.9804 119.6357 65.5251 31.3372 177.5872 37 Q 4.5303 8.5558 118.4816 59.4510 28.9391 178.3354 38 W 4.6531 8.3089 127.5879 59.8138 31.0544 176.4196 39 A 3.9764 8.5187 116.9591 50.8774 19.8501 176.0169 40 G 4.1040 8.7016 103.5736 44.1322 0.0000 172.8182 41 P 4.3819 0.0000 0.0000 64.0938 31.5018 177.4938 42 A 4.1152 7.8289 121.8196 54.6924 18.7022 178.1257 43 L 4.4471 7.6721 114.9310 54.9247 42.3714 176.6176 44 R 4.7076 8.9042 120.2513 54.6743 33.8526 174.4602 45 H 4.7345 8.6790 121.0648 54.1260 31.1389 173.2115 46 P 3.9658 0.0000 0.0000 61.5931 32.1530 175.8178 47 L 4.1354 8.3086 121.9605 55.7191 42.7095 176.4966 48 S 5.0700 8.4758 118.1029 56.2990 66.2554 174.8690 49 L 3.4926 8.2504 121.7970 57.7033 41.5876 178.2384 50 E 4.0417 8.2103 118.2483 59.4855 29.4772 178.5680 51 Q 4.2167 7.7070 117.1226 56.2213 28.2783 176.9576 *53 H 4.7482 8.3796 119.0015 56.2656 31.8963 174.6771 54 E 3.9332 8.1593 119.0222 59.3162 29.2611 178.2567 55 D 4.3234 7.9636 117.3091 57.4704 41.2603 178.3643 56 L 4.1336 7.8785 118.6973 57.7038 41.6820 179.1866 57 A 3.9477 8.2747 121.1311 55.2139 18.2460 179.4598 58 E 3.9235 8.1334 117.3483 59.4483 29.2958 179.3473 59 S 4.9414 7.7204 113.9606 59.6289 63.4267 175.5711 60 R 4.3174 7.6256 120.2362 55.5666 30.5107 176.7294 61 R 4.1186 7.1176 118.4687 55.9859 30.8698 175.7531 62 R 4.5969 8.0966 118.2627 53.5976 32.5737 174.0496 63 P 4.4322 0.0000 0.0000 61.2605 32.2019 174.3128 64 P 4.5218 0.0000 0.0000 62.3644 31.9761 176.4971 65 L 4.3506 8.5973 122.0254 56.7282 43.1140 176.8266 66 R 5.2408 7.9581 117.7073 54.3804 33.9433 173.9546 67 L 4.9818 9.3061 125.0574 52.8762 44.9115 175.3046 68 L 5.1413 8.1637 122.3048 52.8006 44.9740 175.4258 69 W 5.6567 9.2206 121.7885 55.1700 33.9219 174.1772 70 S 5.5948 9.4299 118.4850 56.9303 65.3928 172.9180 71 A 5.1639 9.0354 126.5340 51.0602 20.5950 175.9053 72 C 5.4050 9.6707 119.8230 58.0665 33.1269 173.4222 73 R 4.8395 8.9129 120.4158 54.2318 32.3050 176.5505 74 D 4.1551 8.9948 126.4899 55.7894 40.7908 176.0509 75 D 4.5715 8.8983 127.7220 54.8324 39.9907 175.5444 76 Q 4.2319 8.0811 123.3376 54.9464 29.6672 174.5463 77 V 4.3834 8.4512 126.0635 62.6988 31.7489 175.0797 78 I 4.4822 8.7638 120.5759 60.5869 39.3323 174.8140 79 G 4.2757 7.8992 109.0732 46.3669 0.0000 171.4485 80 H 5.7886 9.4747 118.7871 55.2529 33.8335 171.7204 81 C 5.4991 8.7992 119.0591 59.7125 33.3293 172.8477 82 Q 5.3473 9.3242 119.0931 54.3102 33.1266 174.3936 83 L 5.2384 9.0373 120.3908 53.0055 45.6878 175.5185 84 L 5.2119 8.7269 123.1250 52.9963 44.5569 175.2689 85 F 4.5499 9.1009 122.8230 55.9249 40.9405 175.7491 86 D 4.8001 9.1468 124.1278 52.4810 40.8470 176.4820 87 R 4.0582 8.4325 123.3777 58.5106 30.9501 178.9036 88 R 3.8912 8.2476 117.1375 59.2989 29.8225 176.6332 89 N 4.5982 8.2103 111.2828 52.4140 39.6241 174.6664 90 G 3.8528 7.8212 106.9854 46.6448 0.0000 173.6289 91 V 4.8148 7.8724 117.6181 60.7465 35.5737 174.6780 92 V 4.4650 8.1820 126.7717 60.8732 34.5849 173.8175 93 R 4.9399 8.6949 127.8586 54.4302 32.0059 175.0883 94 L 4.6425 8.5638 127.0786 54.8807 42.4653 176.1272 95 A 4.3931 9.0168 122.9713 50.8718 23.3854 175.8160 96 R 3.8347 8.3843 114.4696 57.2586 27.7492 176.4139 97 I 4.7377 8.0328 117.8847 61.2071 38.0948 176.4913 98 V 4.6398 9.0547 125.2115 60.5555 34.9882 172.9494 99 L 4.7552 8.1090 121.7528 52.2435 44.3468 175.9806 100 A 2.0000 7.0199 123.9795 51.2436 18.9961 177.0076 101 P 4.0512 0.0000 0.0000 65.6421 31.5441 178.4829 102 S 4.2476 7.8461 109.5424 59.4617 63.0796 174.1375 103 A 4.4809 7.7750 123.4010 51.9774 19.6361 177.2079 104 R 4.0249 7.4454 114.8901 56.7924 30.7136 176.3722 105 G 3.9069 8.6729 106.6158 46.9904 0.0000 173.9966 106 Q 4.4963 7.7376 115.6733 54.5422 30.1430 175.7406 107 G 4.1624 8.1406 104.0819 46.6692 0.0000 174.7218 108 L 4.3630 7.2244 117.5269 55.0431 42.7315 178.9279 109 G 3.7923 8.2164 107.5280 48.6412 0.0000 174.6711 110 L 4.1269 8.0363 122.4610 57.2252 42.4709 178.3138 111 P 4.4847 0.0000 0.0000 62.8316 31.2375 178.1288 *113 L 4.3799 8.0773 120.1626 55.0314 43.8412 179.3092 114 E 4.1261 8.6493 118.1516 59.3482 29.3409 179.2338 115 A 4.0039 8.1113 120.8988 54.9934 18.3332 179.5259 116 L 3.5765 7.7520 118.3640 58.0374 42.2069 178.7934 117 L 3.7419 8.3773 119.1937 57.7747 41.4701 179.1587 118 A 4.2576 8.1702 120.4993 55.6255 18.0676 179.6301 119 E 3.8536 7.7636 115.3212 59.3186 29.5107 179.1091 120 A 3.9304 7.7797 120.1755 54.8501 18.5284 178.9381 121 F 4.4230 7.6301 112.8988 57.6324 39.1444 177.2226 122 A 4.3715 7.3404 121.7431 54.1862 18.5078 177.5658 123 D 4.4009 7.8694 118.1801 53.7827 41.3901 176.6716 124 A 4.1510 8.7461 130.4296 55.0260 18.5135 177.8121 125 D 4.5347 9.2371 115.4076 56.0560 41.1812 176.6580 126 I 4.2230 7.8282 121.3544 61.1136 37.5042 175.3643 127 E 4.8112 9.2131 124.2911 56.3725 32.0211 175.7504 128 R 5.1096 7.7985 119.4444 54.7738 33.9592 173.5918 129 V 4.8403 8.9442 125.4724 61.1981 34.9981 173.8876 130 E 5.3001 8.8083 123.2265 55.5558 33.4767 173.3918 131 L 4.5112 7.9887 118.3300 54.9255 42.9843 173.8384 132 N 5.2426 8.3547 117.2920 51.5220 41.3292 174.6695 133 V 4.2332 8.4210 121.4709 59.8713 35.3039 174.2345 134 Y 4.5504 7.7288 122.1115 57.8184 38.2514 176.9389 135 D 4.2913 8.5154 123.6673 56.1647 39.4707 177.7872 136 W 4.3561 7.4011 114.1419 57.5406 28.9631 176.9347 137 N 4.5858 7.2625 120.1385 52.2451 35.2930 174.5704 138 A 3.9457 7.9294 126.4985 54.5533 19.0791 178.9294 139 A 3.8422 7.9602 118.5357 55.2792 18.4426 179.5599 140 A 3.3604 7.6038 118.5295 55.0602 18.4246 179.6459 141 R 3.7464 7.9946 117.6149 59.9675 30.0349 178.2115 142 H 4.1400 8.3977 118.1343 58.9696 29.8222 176.8971 143 L 3.8713 7.7648 122.1836 58.4139 41.9043 178.5488 144 Y 4.4589 7.7571 116.7822 61.2852 37.7694 178.9254 145 R 4.3102 8.0000 120.2131 58.9868 29.9954 179.2941 146 R 3.9274 8.1422 116.7026 59.1242 30.1444 178.3216 147 A 4.3563 8.1316 118.2929 52.5275 18.6648 177.9437 148 G 4.0694 8.0542 104.7967 44.6603 0.0000 174.4284 149 F 4.3146 8.6361 119.8271 57.6997 39.9980 174.4411 150 R 4.7938 8.6396 122.1442 54.4921 31.9098 176.0886 151 E 4.4011 8.8249 122.8515 56.6729 29.7610 176.4632 152 E 4.6146 9.8418 122.6271 55.1948 32.0593 175.8944 153 G 4.0434 7.1555 107.0631 46.1689 0.0000 171.3064 154 L 5.1324 8.1145 120.9125 53.2051 44.8495 175.8461 155 R 4.3358 9.2325 129.0652 55.3594 30.7507 175.5508 156 R 4.5465 8.6184 126.4110 56.3464 30.9040 176.9836 157 S 3.6769 9.2294 117.9964 59.4375 61.2438 172.2048 158 A 4.4726 8.3291 122.6858 53.0907 20.4110 178.1270 159 T 4.5315 7.8187 112.6317 61.6507 70.8474 172.9206 160 R 4.4058 8.4213 127.0788 55.1237 30.9007 175.7908 161 V 3.8949 7.8665 124.9975 61.4088 33.5413 175.9074 162 G 4.1784 7.9589 119.9143 47.1305 0.0000 173.3111 163 R 4.2971 8.7070 123.6650 55.8329 30.2844 175.4792 164 E 4.6960 8.1260 119.0085 54.7000 31.7019 174.8255 165 R 4.9735 8.2866 118.6018 54.3919 33.4968 174.8828 166 W 5.3136 9.1300 123.9795 55.2039 31.9775 175.3729 167 N 5.2294 9.0305 120.7686 53.0710 40.1279 174.1456 168 V 4.6101 8.5366 122.2651 61.0574 34.1866 174.6611 169 V 4.3126 8.8754 129.5135 62.7633 32.7846 175.4934 170 L 4.8634 8.6406 127.6966 53.2126 44.6425 175.4814 *172 G 4.1404 8.2733 106.1083 46.4890 0.0000 171.7995 173 L 4.9873 8.7929 122.7736 53.3860 45.5115 175.4939 174 L 4.9198 9.3610 126.8488 53.5688 43.3654 177.5970 175 R 3.0716 8.8390 122.0915 59.8911 29.8097 179.2369 176 Q 4.0625 7.9946 116.9321 58.7130 28.6614 178.5056 177 E 3.9094 8.0433 119.4422 59.0750 29.6559 178.8448 178 W 4.0594 8.3529 128.4207 60.3094 30.4510 177.9275 179 A 3.2327 8.1341 119.8105 54.8520 17.9168 178.9128 180 A 4.0704 7.9403 118.5278 55.5090 18.4696 179.8772 181 G 3.6822 8.1374 103.1074 45.5718 0.0000 173.9764 182 G 3.4964 7.1247 113.8340 46.1758 0.0000 172.0295 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 11 E 8.44 4.26 0.00 1.95 1.78 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 2.20 2.31 0.00 12 L 8.88 4.44 0.00 1.79 1.55 0.93 0.40 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 13 Q 10.38 4.81 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 14 L 8.53 5.23 0.00 1.39 1.54 0.41 0.97 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 15 V 8.97 4.93 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 0.88 0.00 0.00 1.18 0.00 0.00 16 P 0.00 4.38 0.00 1.88 1.79 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 17 F 8.69 4.68 0.00 3.08 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 18 Q 7.06 4.30 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.67 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 19 L 8.25 3.92 0.00 1.61 1.69 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.80 3.74 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 0.00 0.00 0.00 21 H 7.97 4.76 0.00 3.04 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.09 4.31 0.00 3.25 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 23 P 0.00 4.03 0.00 2.01 2.08 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 24 I 7.35 3.63 1.70 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 1.47 1.20 0.96 0.00 0.00 25 L 6.97 2.44 0.00 1.33 1.46 0.60 0.68 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 26 Q 7.37 3.71 0.00 1.06 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 27 R 7.15 4.13 0.00 1.87 1.95 0.00 3.18 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 28 W 7.37 4.61 0.00 2.30 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 0.00 0.00 0.00 29 F 7.33 4.99 0.00 3.10 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 30 A 9.73 4.38 1.28 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 0.00 0.00 31 T 7.49 4.62 4.26 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 1.21 0.00 0.00 32 E 8.67 4.02 0.00 2.12 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 2.43 2.43 0.00 33 K 8.14 4.11 0.00 1.94 1.88 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.68 1.71 7.81 34 E 8.41 4.23 0.00 2.50 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 2.47 2.47 0.00 35 L 8.08 3.99 0.00 1.97 1.80 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.98 4.21 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 1.45 0.00 0.00 1.02 0.00 0.00 37 Q 8.56 4.53 0.00 2.57 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 38 W 8.31 4.65 0.00 3.57 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 39 A 8.52 3.98 0.40 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 40 G 8.70 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 0.00 0.00 0.00 41 P 0.00 4.38 0.00 2.11 2.12 0.00 3.80 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 1.96 1.92 0.00 42 A 7.83 4.12 1.28 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 0.00 0.00 43 L 7.67 4.45 0.00 1.83 1.67 0.98 0.83 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 44 R 8.90 4.71 0.00 1.75 1.80 0.00 3.33 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 45 H 8.68 4.73 0.00 3.25 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 3.97 0.00 2.18 1.90 0.00 3.86 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 1.99 1.95 0.00 47 L 8.31 4.14 0.00 1.62 1.64 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.48 5.07 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.25 3.49 0.00 1.30 1.54 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.21 4.04 0.00 1.89 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 2.27 2.31 0.00 51 Q 7.71 4.22 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.31 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 *53 H 8.38 4.75 0.00 3.21 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.16 3.93 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 55 D 7.96 4.32 0.00 2.67 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 56 L 7.88 4.13 0.00 1.79 1.71 0.96 1.18 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 57 A 8.27 3.95 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 58 E 8.13 3.92 0.00 2.25 2.02 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 2.32 2.49 0.00 59 S 7.72 4.94 0.00 3.99 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 60 R 7.63 4.32 0.00 1.86 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0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 W 9.22 5.66 0.00 3.27 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 70 S 9.43 5.59 0.00 4.06 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 71 A 9.04 5.16 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 72 C 9.67 5.41 0.00 2.88 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 73 R 8.91 4.84 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 74 D 8.99 4.16 0.00 2.82 1.82 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 75 D 8.90 4.57 0.00 2.81 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 76 Q 8.08 4.23 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.02 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 136 W 7.40 4.36 0.00 3.38 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 0.00 137 N 7.26 4.59 0.00 1.84 2.44 0.00 0.00 6.96 7.86 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 0.00 138 A 7.93 3.95 1.33 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 0.00 139 A 7.96 3.84 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 0.00 140 A 7.60 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.99 3.75 0.00 2.00 1.90 0.00 3.04 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 142 H 8.40 4.14 0.00 3.24 3.31 0.00 5.84 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 0.00 143 L 7.76 3.87 0.00 1.70 1.57 0.92 0.82 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 0.00 144 Y 7.76 4.46 0.00 3.05 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 0.00 145 R 8.00 4.31 0.00 2.04 2.01 0.00 3.17 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 146 R 8.14 3.93 0.00 1.89 1.99 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 147 A 8.13 4.36 1.59 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 0.00 0.00 148 G 8.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.64 4.31 0.00 3.11 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 0.00 150 R 8.64 4.79 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 151 E 8.82 4.40 0.00 1.88 1.91 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 2.35 2.38 0.00 152 E 9.84 4.61 0.00 1.90 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 0.00 2.24 2.45 0.00 153 G 7.16 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 0.00 154 L 8.11 5.13 0.00 1.60 1.54 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 155 R 9.23 4.34 0.00 1.90 1.97 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 156 R 8.62 4.55 0.00 1.77 1.89 0.00 3.44 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 157 S 9.23 3.68 0.00 3.95 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 0.00 158 A 8.33 4.47 1.43 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 0.00 159 T 7.82 4.53 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 1.23 0.00 0.00 160 R 8.42 4.41 0.00 1.69 1.74 0.00 3.12 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 161 V 7.87 3.89 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 0.00 0.00 0.62 0.00 0.00 -0.58 0.00 0.00 162 G 7.96 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 0.00 163 R 8.71 4.30 0.00 1.78 1.95 0.00 3.33 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 164 E 8.13 4.70 0.00 1.97 1.91 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 2.30 2.26 0.00 165 R 8.29 4.97 0.00 1.68 1.83 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 166 W 9.13 5.31 0.00 3.29 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 0.00 167 N 9.03 5.23 0.00 3.09 2.82 0.00 0.00 6.50 7.68 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 0.00 168 V 8.54 4.61 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 0.76 0.00 0.00 1.12 0.00 0.00 169 V 8.88 4.31 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 1.03 0.00 0.00 0.91 0.00 0.00 170 L 8.64 4.86 0.00 1.63 1.54 0.92 0.56 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 *172 G 8.27 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.79 4.99 0.00 0.81 0.98 0.89 0.33 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 0.00 174 L 9.36 4.92 0.00 1.72 1.58 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.84 3.07 0.00 1.74 1.90 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 176 Q 7.99 4.06 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 177 E 8.04 3.91 0.00 2.17 1.97 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 2.38 2.35 0.00 178 W 8.35 4.06 0.00 3.16 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 0.00 179 A 8.13 3.23 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 0.00 180 A 7.94 4.07 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 0.00 181 G 8.14 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 7.12 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.