NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3691 8.3193 115.2813 57.9384 64.4007 174.3195 4 I 3.5472 7.5876 113.7858 58.9617 37.6592 174.4306 5 S 4.4257 9.1471 120.0369 57.6391 65.0826 175.2957 6 E 4.0293 8.6593 120.8720 59.5367 29.5780 179.7312 7 K 4.0694 7.5522 116.3873 57.5049 32.0260 178.1855 *9 V 3.9556 7.8783 118.6180 62.5637 33.2126 177.0775 10 E 4.0085 8.3859 119.7334 59.3664 29.3799 178.7037 11 A 4.0223 8.0915 120.8192 54.9103 18.3608 179.6271 12 L 3.9788 7.8992 117.1608 58.1074 41.6750 179.2303 13 N 4.4327 8.7092 116.8036 56.5339 38.5049 177.7329 14 R 4.0423 8.4382 119.6878 59.2507 30.1025 178.9079 15 Q 4.0392 8.4066 119.5517 59.0900 29.0261 178.1982 16 I 3.7952 8.2823 121.5013 64.4366 37.0929 177.8813 17 N 4.4298 8.2576 117.3918 56.6554 38.7210 176.8707 18 A 4.2178 8.0624 122.2266 54.9905 18.3375 179.5685 19 E 4.0490 8.5323 117.4952 59.6735 29.6086 179.4933 20 I 3.7034 7.9924 119.9205 64.5298 37.0129 177.8791 21 Y 4.1436 8.6112 120.8450 60.6265 38.5498 177.9142 22 S 3.6659 8.5284 116.2627 61.6620 62.9399 176.3986 23 A 4.1953 8.1725 123.1943 55.8153 18.0070 179.1122 24 Y 4.3608 8.0706 117.7478 60.4450 38.6237 177.3311 25 L 3.6729 7.7442 120.9661 58.4981 42.1755 178.4371 26 Y 4.5517 7.4466 115.1453 60.9131 38.0692 177.9214 27 L 3.9466 8.3406 121.7290 57.9063 41.7612 179.7323 28 S 3.8168 7.9734 110.8442 58.8740 62.3727 175.5382 *30 A 4.4919 7.9812 124.6689 51.8372 20.4483 179.8586 31 S 4.0918 8.0233 109.8988 61.5181 61.8644 175.6309 32 Y 4.1067 8.1275 122.2816 60.9595 38.5289 178.3087 33 F 4.0508 8.0630 118.0357 60.5099 39.1170 177.2431 34 D 4.4007 8.4796 119.0578 57.3392 40.4204 178.9317 35 S 4.2739 8.1416 114.0228 60.1704 62.8816 175.0050 36 I 4.1955 6.7422 113.6163 60.2605 37.4294 175.8221 37 G 3.8614 7.8889 106.9550 47.3930 0.0000 175.8213 38 L 4.6994 7.6718 121.4509 52.8749 39.5506 176.9522 39 K 4.1944 8.0698 122.1446 58.8483 32.4732 178.9238 40 G 4.0938 8.7506 108.1128 47.2029 0.0000 175.8484 41 F 3.7934 8.4770 118.8376 60.2201 38.8684 177.2303 42 S 4.4092 8.1341 111.8499 61.3245 62.4784 175.2035 43 N 4.5146 8.4539 120.0329 56.4606 38.5331 177.0272 44 W 4.2636 8.1726 126.6431 58.4831 30.8886 177.4367 *46 R 4.3593 7.9102 117.8176 55.9308 31.7827 178.0181 47 V 3.5476 8.0259 117.0043 65.9971 31.3689 177.6171 48 Q 3.6862 7.9897 119.5450 59.0187 28.8207 178.3128 49 W 4.3703 8.3373 128.6729 60.7049 30.5764 177.7123 50 Q 3.6138 8.0453 116.9955 58.8399 28.2017 178.1650 51 E 3.9927 7.9527 119.3519 59.2877 29.8707 178.4441 52 E 4.0723 8.3838 118.7987 58.9557 29.2577 179.7945 53 L 4.1525 7.2413 116.8984 55.1637 41.6171 178.0686 *55 H 4.9934 8.1624 117.1032 56.2093 30.4711 175.9894 56 A 4.2079 8.1500 118.2516 52.8465 17.4665 177.6508 *58 K 4.1120 8.0411 118.2098 57.8900 33.7050 177.1333 *60 F 4.6716 8.0297 119.9988 58.0133 41.1447 176.7299 61 D 4.5005 8.3840 119.7729 57.3108 40.5229 178.3215 62 F 4.0110 8.2145 121.1659 61.2307 39.1358 177.2300 63 V 3.2655 7.6537 117.2547 66.0861 31.3445 177.8131 64 S 4.2020 7.3567 112.6797 60.7157 61.9368 175.7265 65 E 3.8537 7.6946 121.3351 59.0738 29.4903 178.4950 66 R 3.8588 7.4609 116.4653 57.0344 30.1291 177.5074 67 G 3.7724 7.8460 107.4073 44.9838 0.0000 173.6828 68 G 3.8242 7.9361 109.9933 43.9385 0.0000 172.7109 69 R 4.3441 7.9527 118.4938 53.9398 32.1109 174.8329 70 V 4.0353 8.0572 124.9204 61.6803 31.9906 174.6296 71 K 4.2992 8.3701 128.4617 54.4740 33.4166 175.0732 72 L 4.3232 8.1342 126.2849 53.8359 42.8060 175.7624 73 Y 4.6778 8.0295 119.8586 55.5371 40.3942 175.2776 74 A 4.0363 8.5777 123.8890 52.7766 18.8508 177.2735 75 V 4.2682 8.1233 121.3550 61.1337 32.4542 175.8262 76 E 4.2857 8.7182 126.9268 55.6632 30.1285 176.3628 77 E 4.1824 8.5469 123.3049 56.0249 30.0070 175.3531 78 P 5.1185 0.0000 0.0000 60.2953 32.7143 173.7826 79 P 4.3751 0.0000 0.0000 62.9753 31.5695 176.1439 80 S 4.6813 7.7645 109.9280 56.2587 64.4208 173.8110 81 E 4.4428 6.9126 119.3843 54.1355 31.3715 174.7160 82 W 4.6708 7.2177 120.2857 54.6428 33.0175 176.1709 83 D 4.5355 8.7560 119.7132 56.7454 40.8359 177.0409 84 S 4.7253 7.4450 111.3200 55.9485 67.0806 175.1271 85 P 4.5570 0.0000 0.0000 65.9410 31.0126 178.5730 86 L 4.0407 8.0840 118.1648 58.2946 42.0930 178.7428 87 A 4.1405 8.3847 120.5272 55.1428 18.2474 179.4896 88 A 3.2232 8.2353 119.3907 55.1012 18.3076 179.8456 89 F 3.8650 8.5762 116.3112 60.1956 39.0215 177.9595 90 E 4.1372 9.0144 119.0316 59.6304 29.1569 178.7956 91 H 4.3519 8.5083 118.4102 59.1160 29.8916 177.3738 92 V 3.7584 7.9578 120.2350 66.3469 31.2848 177.3193 93 Y 4.1673 8.3457 119.2021 60.8345 38.6778 177.7601 94 E 3.8303 8.5617 120.2460 59.3474 29.6777 178.1001 95 H 4.1866 8.7882 118.7984 59.5211 29.8762 177.1603 96 E 4.0531 8.5482 120.4745 59.1540 29.2894 179.2465 97 V 3.3912 7.8106 118.8357 66.1433 31.5173 177.6976 98 N 4.2871 8.1866 116.5945 56.5228 38.6977 177.0328 99 V 3.6241 8.1232 120.2416 66.1787 31.5649 178.2195 100 T 3.8465 8.0685 115.8525 66.2569 68.2605 176.4556 101 K 3.8210 8.0804 121.6326 59.6325 32.2031 178.7974 102 R 3.9121 8.0698 118.8015 59.3847 30.0076 178.4327 103 I 3.7037 8.1690 120.0672 64.9165 37.0826 178.1923 104 H 4.2731 8.8119 117.2699 58.8577 28.2285 177.7779 105 E 4.0325 8.0520 119.9106 59.2068 29.3274 178.9723 106 L 4.1850 7.7521 118.6291 57.4911 41.7263 179.2794 107 V 3.9065 7.7414 117.4833 66.0133 31.5463 179.0452 108 E 4.1732 8.0795 113.9143 56.7960 29.3830 177.2169 *110 A 4.1974 7.8460 120.2776 52.3143 20.1304 179.5077 *112 Q 4.2602 8.1928 120.2287 57.0342 30.5882 176.2024 113 E 4.4546 8.1743 112.8293 55.1230 29.8183 175.5053 114 K 3.2347 7.7843 115.8256 57.7499 29.9953 176.4718 115 D 4.5205 7.6779 117.6102 52.9715 38.2873 175.1128 116 F 4.6336 7.6648 122.4042 60.1023 39.4604 176.5868 117 A 4.2248 8.2678 120.0125 55.8625 18.2274 179.7376 118 T 4.2221 8.6286 114.1256 66.7982 68.2935 176.2677 119 Y 4.1065 8.3506 121.0440 60.8793 39.1619 177.5409 120 N 4.4082 8.7950 118.1320 56.6239 38.9565 176.4326 121 F 3.9875 8.3312 121.9788 61.3824 39.4265 177.1471 122 L 4.0122 8.2165 118.1859 57.3408 41.3039 179.2128 123 Q 3.8767 7.7720 118.5475 58.7113 28.4559 178.7446 124 W 3.8519 7.8128 129.4614 60.5835 30.5468 177.6568 125 Y 3.9045 7.9481 116.2681 60.4703 37.2117 177.8007 126 V 3.5715 7.7207 118.4670 66.1273 31.7773 177.6585 127 A 3.9714 7.8441 120.2377 55.0142 18.1901 179.1723 128 E 3.3876 7.8086 118.1281 59.3806 29.5723 179.0940 129 Q 4.0285 8.2063 118.1576 58.7529 28.6676 178.9754 130 V 3.6024 7.4829 119.6612 66.0538 31.4324 177.9912 131 E 3.9884 7.9572 117.8062 59.2377 29.5504 178.8965 132 E 4.0405 8.2443 118.6333 59.5315 29.4974 179.2928 133 E 4.1079 8.3952 118.3209 59.5058 29.5861 179.3845 134 A 4.0838 8.1227 120.8044 55.1978 18.3096 179.9080 135 S 4.1739 8.6339 113.9567 61.7325 62.8743 176.8250 136 A 4.2446 8.2521 123.2813 55.1299 18.2062 179.4656 137 L 3.6786 8.4688 119.1764 58.1148 42.0624 178.8201 138 D 4.2910 8.1666 118.8993 57.6190 40.7296 179.0229 139 I 3.3762 7.3198 120.2204 63.8592 36.8417 178.4088 140 V 3.5544 7.7898 119.3719 66.4220 31.3279 178.1123 141 E 3.9112 8.5326 118.2960 59.0788 29.1471 179.3266 142 K 3.9278 8.1292 120.0157 59.4020 32.3668 178.9594 143 L 4.0279 8.2148 119.6588 57.5543 41.2736 179.6837 144 R 3.9434 7.9776 117.7568 59.0290 30.0818 178.2718 145 L 4.0701 7.7906 119.1896 58.3499 42.3451 178.8949 146 I 3.8594 8.0484 120.0153 61.6333 37.1960 177.8700 147 G 3.8997 8.2750 106.6296 47.1606 0.0000 175.0904 148 E 4.3189 8.8161 124.1059 55.8694 30.2708 175.4608 149 D 4.3705 7.8220 119.0300 54.4872 41.7424 176.4904 150 K 4.1276 8.5829 127.9702 59.1567 32.2695 179.5583 151 R 4.0004 8.0964 118.0905 59.0086 30.0500 178.6521 152 A 4.0644 8.7980 121.2620 54.9023 18.3009 179.3645 153 L 4.0326 7.9355 118.7051 58.4225 42.1701 179.2516 154 L 4.1031 8.1068 118.8610 57.2708 41.5717 179.1590 155 F 3.9871 8.3126 121.0691 61.1586 39.2696 176.9143 156 L 3.8850 8.2152 120.0418 58.0160 41.7933 178.2811 157 D 4.2195 8.5354 118.3617 57.3162 41.0398 178.5051 158 K 3.8190 7.9325 118.7638 59.3727 32.0539 178.7225 159 E 3.7200 7.7000 119.4466 59.4696 29.4804 178.9308 160 L 4.1098 7.9570 118.7380 56.9938 41.4439 179.0970 161 S 4.2894 7.3858 113.3554 60.3840 63.0204 175.6582 162 L 4.1514 7.5404 121.7823 55.4170 41.9856 177.2010 163 R 4.0458 7.3547 119.4706 56.2955 30.7109 176.2369 164 Q 4.1786 8.3499 121.5770 56.1427 29.4819 175.3648 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 3 S 8.32 4.37 0.00 3.81 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 4 I 7.59 3.55 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.88 0.00 0.00 5 S 9.15 4.43 0.00 3.98 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 6 E 8.66 4.03 0.00 2.01 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 2.38 2.23 0.00 7 K 7.55 4.07 0.00 1.95 1.76 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 *9 V 7.88 3.96 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 0.83 0.00 0.00 0.92 0.00 0.00 10 E 8.39 4.01 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 11 A 8.09 4.02 1.42 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 12 L 7.90 3.98 0.00 1.88 1.79 1.05 0.82 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 13 N 8.71 4.43 0.00 3.02 3.03 0.00 0.00 7.08 7.62 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 14 R 8.44 4.04 0.00 1.96 1.95 0.00 2.99 0.00 0.00 2.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 15 Q 8.41 4.04 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 16 I 8.28 3.80 2.15 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 1.55 0.93 1.06 0.00 0.00 17 N 8.26 4.43 0.00 3.11 3.05 0.00 0.00 7.10 7.94 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 18 A 8.06 4.22 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.53 4.05 0.00 2.23 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 2.67 2.65 0.00 20 I 7.99 3.70 2.04 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 0.91 0.88 0.00 0.00 21 Y 8.61 4.14 0.00 3.13 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 22 S 8.53 3.67 0.00 4.13 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 23 A 8.17 4.20 1.49 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 0.00 0.00 24 Y 8.07 4.36 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.74 3.67 0.00 0.93 1.25 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.45 4.55 0.00 3.23 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 27 L 8.34 3.95 0.00 1.31 1.47 0.13 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.97 3.82 0.00 3.76 4.06 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 *30 A 7.98 4.49 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 31 S 8.02 4.09 0.00 3.91 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 32 Y 8.13 4.11 0.00 3.51 2.92 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 0.00 0.00 0.00 33 F 8.06 4.05 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.48 4.40 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.14 4.27 0.00 3.98 4.13 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 36 I 6.74 4.20 1.72 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.61 0.67 0.00 0.00 37 G 7.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.67 4.70 0.00 1.72 1.70 0.56 0.85 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 39 K 8.07 4.19 0.00 1.78 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.75 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.48 3.79 0.00 2.40 1.45 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 0.00 0.00 0.00 0.00 42 S 8.13 4.41 0.00 4.02 4.19 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 43 N 8.45 4.51 0.00 2.81 3.03 0.00 0.00 6.86 8.55 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 44 W 8.17 4.26 0.00 3.40 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 *46 R 7.91 4.36 0.00 2.13 2.10 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 47 V 8.03 3.55 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 48 Q 7.99 3.69 0.00 1.55 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.63 2.38 0.00 49 W 8.34 4.37 0.00 3.72 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 50 Q 8.05 3.61 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 51 E 7.95 3.99 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 52 E 8.38 4.07 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.79 0.00 53 L 7.24 4.15 0.00 1.53 1.41 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.16 4.99 0.00 3.51 3.74 0.00 5.72 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 56 A 8.15 4.21 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 *58 K 8.04 4.11 0.00 1.68 2.01 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.33 7.81 *60 F 8.03 4.67 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.38 4.50 0.00 2.87 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 62 F 8.21 4.01 0.00 2.42 2.49 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 63 V 7.65 3.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 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0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.09 0.00 0.00 141 E 8.53 3.91 0.00 2.05 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 2.25 2.34 0.00 142 K 8.13 3.93 0.00 1.94 1.68 0.00 1.47 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 143 L 8.21 4.03 0.00 1.86 1.72 1.03 1.16 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 0.00 144 R 7.98 3.94 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 145 L 7.79 4.07 0.00 1.71 1.89 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.05 3.86 2.10 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 1.47 0.89 0.97 0.00 0.00 147 G 8.27 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 0.00 0.00 0.00 148 E 8.82 4.32 0.00 1.96 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 2.24 2.22 0.00 149 D 7.82 4.37 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.58 4.13 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.66 7.81 151 R 8.10 4.00 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 A 8.80 4.06 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 0.00 153 L 7.94 4.03 0.00 1.92 1.91 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.11 4.10 0.00 2.09 1.75 0.95 1.00 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 0.00 155 F 8.31 3.99 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.22 3.88 0.00 1.88 1.91 0.71 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.54 4.22 0.00 3.16 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 0.00 158 K 7.93 3.82 0.00 1.75 1.60 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 159 E 7.70 3.72 0.00 1.74 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 2.19 2.24 0.00 160 L 7.96 4.11 0.00 1.61 1.68 0.57 -0.44 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 0.00 161 S 7.39 4.29 0.00 3.96 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 0.00 162 L 7.54 4.15 0.00 1.86 1.72 0.93 0.80 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 0.00 163 R 7.35 4.05 0.00 1.82 1.92 0.00 2.67 0.00 0.00 2.64 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 164 Q 8.35 4.18 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.