NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0366 8.3549 109.7374 45.5346 0.0000 173.0494 0 H 4.3747 9.0818 121.2222 56.5365 27.8540 174.0029 2 H 4.9471 9.5460 123.5167 56.9284 36.1988 174.8916 3 L 3.9761 8.1859 120.4417 58.3481 41.8021 178.6772 4 D 4.5360 8.1302 118.3931 57.2294 40.6925 178.5050 5 R 3.8525 8.0166 118.9384 59.4721 29.8138 178.1833 6 Q 3.9124 8.1053 119.4096 59.2614 28.9465 178.2245 7 S 3.9628 8.2791 114.3363 60.9353 62.3339 175.8153 8 L 2.9639 7.9241 123.5871 57.8987 41.7499 178.8737 9 E 3.9646 7.8258 118.3086 59.2321 29.2747 179.5492 10 K 4.0737 7.6509 118.1405 59.1213 32.2176 179.3268 11 A 3.9419 8.0555 121.3785 54.9933 18.3054 179.5997 12 K 3.7635 8.2146 117.4794 60.0914 32.1434 178.9217 13 H 4.2167 8.3314 118.2036 59.0944 29.8569 176.7970 14 L 3.3127 8.0680 122.1919 58.1327 41.8133 179.0919 15 I 3.6131 7.4607 118.9449 64.5457 36.9277 178.3085 16 Q 4.0066 8.2461 118.4702 59.1646 28.6752 179.1614 17 S 4.2846 8.0161 114.1388 59.5053 63.5376 175.4763 18 G 3.9393 8.0483 110.6590 44.9607 0.0000 175.1362 19 L 3.9274 7.7293 120.4406 57.5248 42.1252 179.1241 20 I 3.4957 7.4777 118.4552 64.1175 37.8439 177.2271 21 D 4.5117 7.9404 118.8687 56.2576 40.6574 176.8953 22 T 4.5529 7.7300 107.7919 60.9722 69.1726 174.2682 23 I 4.0039 7.4434 123.1935 61.2887 37.9126 175.6535 24 E 4.0417 9.3628 126.5554 56.1699 30.0923 175.6700 25 V 4.2184 8.3587 125.7971 62.8404 32.6488 175.8913 26 G 3.5053 8.7245 114.6591 46.0032 0.0000 172.9878 27 T 5.0380 7.7288 109.3884 59.1327 73.0140 174.9892 28 I 3.6611 9.0783 122.5558 64.6037 37.0283 178.8492 29 K 4.2300 8.3386 118.9683 59.6983 31.9155 179.4178 30 G 4.1374 8.3350 107.2356 47.2939 0.0000 175.5966 31 L 4.2190 8.1909 122.8205 57.9908 42.0571 179.0945 32 Q 4.3477 8.7381 118.5629 59.0330 28.6332 178.3290 33 E 4.0728 8.6263 119.9023 59.6360 29.4854 179.4621 34 I 3.7490 7.8260 119.4288 64.7933 37.3740 177.9620 35 H 4.0754 8.2676 118.8504 59.1958 29.6374 177.0993 36 R 3.9558 8.6936 120.8446 59.5343 29.6871 178.2795 37 F 3.7746 8.1561 119.1880 61.2773 39.5382 176.9415 38 L 3.9625 8.0416 117.3099 56.4877 41.5518 177.6304 39 F 4.6660 7.6243 114.2981 56.0878 40.7737 174.4160 40 E 3.9425 7.9498 122.5187 57.8377 29.5144 177.3908 41 G 3.8980 8.8588 113.1952 45.8160 0.0000 173.0435 42 L 4.3883 7.7275 117.2386 55.8100 43.9713 175.8384 43 Y 4.5015 7.0882 115.1007 56.3843 39.0277 176.5139 44 E 3.9249 8.8431 125.6328 58.9000 30.0069 177.2113 45 F 4.7819 7.3538 111.8042 56.1762 38.2553 174.7927 46 A 4.1422 7.4852 124.6483 54.6790 18.1872 179.0477 47 G 4.1514 9.5064 111.1778 45.3493 0.0000 173.0432 48 K 4.7304 8.1533 119.1568 54.1442 34.0238 176.4494 49 I 3.6574 8.2287 124.1955 61.0505 37.5689 176.4673 50 R 4.0748 8.6379 122.2355 56.2981 29.8125 175.7961 51 D 4.8975 8.3141 116.9879 52.9112 39.9323 175.4820 52 K 4.6240 7.6299 116.7917 55.3396 36.0237 175.3815 53 N 4.9283 8.3802 117.8979 52.6901 39.9331 174.5507 54 I 4.8971 8.1080 113.6799 59.7182 41.7034 173.4842 55 A 5.1910 8.4750 122.5074 51.0223 22.4097 175.5432 56 K 4.5307 8.6922 120.6133 55.3985 35.4354 175.9435 57 G 3.6535 8.3936 115.1931 47.5445 0.0000 173.4935 58 N 4.6038 8.8419 122.2193 52.7291 38.6687 174.2932 59 F 4.1565 8.1840 122.9604 56.7110 39.1383 174.4576 60 R 4.5063 7.5969 129.1902 55.6136 30.7278 176.1660 61 F 4.5386 8.7268 125.0162 56.3600 40.3371 174.8770 62 A 4.0203 8.4256 121.5342 52.5501 18.7069 177.5552 63 N 4.2826 8.9819 120.5925 53.8818 39.7031 175.5113 64 C 4.2311 9.6111 121.2307 60.5625 29.3880 175.7181 65 L 3.9348 7.9803 122.9129 57.4169 41.8301 177.2494 66 Y 4.8128 7.7088 114.6579 57.5445 38.8991 177.3565 67 L 4.0150 7.5026 120.4472 57.9801 41.5654 179.0184 68 D 4.4000 8.1250 117.0724 55.8880 39.4741 177.7420 69 L 4.3787 7.7168 119.8259 56.6469 42.4912 178.4802 70 I 3.9169 8.2174 113.2540 63.2788 37.7935 177.9287 71 L 3.8979 7.9611 120.8694 57.5457 41.6046 177.6307 72 P 4.2624 0.0000 0.0000 65.6466 31.0484 178.5867 73 R 3.9125 7.3993 115.8964 59.4025 30.0444 178.3887 74 I 3.8756 8.0224 118.8318 64.5969 37.2852 177.4401 75 E 4.2906 8.1658 118.6758 59.1470 30.5599 178.5820 76 S 4.4115 7.5460 115.6591 56.0407 60.3811 171.4673 *78 P 4.3352 0.0000 0.0000 62.7223 32.5039 177.1982 79 Q 4.6074 8.1310 115.2503 56.0175 28.9272 176.1051 80 N 4.4843 8.7631 119.4655 56.3581 39.0128 175.1673 81 N 5.1658 7.8371 114.2052 49.7900 41.9523 174.6400 82 F 4.0214 8.8198 121.0148 61.8206 39.1831 176.4189 83 N 4.2221 8.4355 115.1622 56.6192 38.3575 177.2216 84 Q 3.9955 8.7639 119.5510 59.0901 28.7005 179.0554 85 I 3.6939 7.7085 120.8667 64.2489 37.1204 178.7155 86 V 3.6182 7.7545 119.4215 65.9762 31.3237 177.9453 87 E 4.0963 8.4085 118.5879 59.1190 29.0225 179.3248 88 K 4.0320 8.1164 118.9830 59.6853 32.4476 177.7467 89 Y 4.7346 8.2377 118.7260 61.0514 39.1360 178.0501 90 V 3.6101 8.4659 119.2265 65.8507 31.5865 179.0021 91 E 4.1840 8.1127 117.0554 56.6362 29.4559 178.4461 *93 N 4.5587 8.2140 119.7764 53.6998 41.0402 176.4139 94 I 4.1844 7.6960 118.4492 64.2070 37.5023 178.1224 95 A 3.8600 8.3051 122.7496 54.2037 19.0928 177.1299 96 H 3.7682 7.7749 113.9092 56.6338 28.7097 173.7868 97 P 4.1456 0.0000 0.0000 64.2742 32.0102 176.4412 98 F 4.8787 6.7175 116.8861 55.3058 40.9377 175.5442 99 L 3.7372 8.0227 124.7550 57.8429 41.8374 176.8958 100 E 4.4218 7.7312 115.4868 56.0448 32.6264 174.5373 101 G 3.8516 8.8128 111.2485 46.0455 0.0000 175.0122 102 N 4.5162 8.2520 118.8004 56.1090 38.4311 177.2231 103 G 3.7218 7.9925 106.3785 48.1459 0.0000 175.8024 104 R 3.8415 7.9330 120.3805 58.5471 30.1303 178.9135 105 A 4.0877 8.0479 120.3083 55.6082 18.4389 179.8891 106 T 4.2046 8.3312 114.3075 66.5869 68.5343 177.4044 107 R 4.0639 8.3646 120.3320 59.4023 30.0084 179.0730 108 I 3.8478 7.6822 119.6972 64.1111 37.2040 178.2531 109 W 4.2371 8.4279 129.3061 60.3056 30.4887 177.6447 110 L 3.9184 8.8479 120.6946 58.3902 41.5086 178.5250 111 D 4.4131 8.3682 118.6637 57.6809 40.7845 179.0297 112 L 4.0264 8.1109 119.1928 57.6387 41.5206 179.7402 113 L 3.7807 7.6035 118.6597 57.7555 41.4845 179.4910 114 L 3.9944 8.0511 119.1527 57.4447 41.3632 179.5751 115 K 3.9476 8.4182 120.0700 59.4911 32.0017 178.8707 116 K 3.9136 8.0236 118.6203 58.8211 32.1290 177.4049 117 E 4.3922 7.9796 117.9162 56.8465 30.5634 176.2529 118 L 4.6008 7.9374 115.0502 53.2795 43.3752 176.0785 119 K 3.9752 7.7901 117.0972 57.5769 30.0742 174.5679 120 K 5.1266 7.7840 114.6278 54.7027 36.6428 176.3440 121 I 4.6963 8.5372 114.4484 59.0156 41.6674 174.2791 122 V 3.8224 8.5194 123.6541 61.9760 31.8114 177.3405 123 L 4.3028 8.8614 130.2396 52.9936 40.0994 177.1924 124 W 4.4240 8.0152 122.8508 59.8083 29.5381 178.2050 125 D 4.6040 8.2388 115.1550 55.1559 38.8412 176.7120 126 R 4.3692 8.0637 118.2734 55.9655 30.6188 175.7715 127 I 4.3097 7.9057 120.5829 59.1974 38.1053 175.6778 128 D 4.6277 8.7101 125.0602 54.4720 42.8041 176.8712 129 K 4.1168 9.0420 126.3149 59.5703 32.3611 179.0202 130 A 3.9901 8.1526 120.3981 55.1362 18.3749 179.2338 131 A 3.9495 8.8477 119.6700 55.4388 18.2634 179.1225 132 Y 4.0507 8.0686 116.9708 60.9194 38.9123 178.1479 133 L 3.8220 7.9042 118.7103 57.6601 42.0220 179.0614 134 S 4.2066 8.2914 113.1568 61.1861 62.1847 177.0380 135 A 4.2188 7.7719 122.2974 52.1214 17.7390 178.6740 *137 E 3.9534 8.1315 123.3515 57.5745 31.4234 177.4422 138 R 4.0899 7.7981 117.8571 58.1430 28.6665 178.2309 139 S 4.3038 7.6036 115.5537 60.6681 62.5378 174.7945 140 P 4.4932 0.0000 0.0000 64.5347 31.1084 177.8207 141 V 4.2111 7.0142 115.7171 63.0493 32.1322 175.7133 142 N 4.8264 8.1561 118.1145 51.4142 41.4635 173.8269 143 D 4.8270 8.7060 124.8595 53.5507 40.1289 177.9115 144 L 4.0026 8.2923 122.1305 58.2844 41.5755 178.7976 145 E 3.9542 8.2658 117.7744 59.7506 29.4024 179.3439 146 I 3.9059 7.7321 117.7551 63.9446 38.1928 177.7663 147 K 4.1377 8.4908 119.7723 59.9984 31.9629 179.4844 148 T 3.9487 8.5799 116.2622 66.3972 68.1378 176.6393 149 L 4.1353 7.9337 121.1706 58.2727 42.5212 178.7225 150 L 4.1634 8.3033 119.0752 57.7564 41.3936 179.4515 151 K 3.4791 8.1088 118.3570 58.8388 32.0915 178.1312 152 K 4.1816 7.3963 115.0940 57.2472 33.0200 176.1127 153 H 5.0030 8.2038 117.1938 55.0698 29.1597 172.9907 154 L 5.0063 7.8566 116.8370 53.6462 43.8526 177.3093 155 S 4.7089 8.8168 115.7750 56.8130 65.6819 175.0088 156 S 4.4012 8.8173 120.5509 60.1831 63.4401 174.5379 157 N 4.6595 7.9081 122.4364 52.7857 37.0366 175.5661 158 T 4.1952 7.5731 107.5359 62.9682 69.8618 175.4405 159 N 4.8084 7.5254 117.2887 52.6899 40.8481 174.4565 160 D 4.3365 7.9843 118.2110 54.0487 41.9930 174.7402 161 P 4.3468 0.0000 0.0000 64.7789 31.3839 178.4119 162 L 3.9062 8.0133 119.3274 58.5363 42.1180 178.7363 163 T 3.8571 7.5525 115.0424 66.8199 68.3352 176.5768 164 L 4.0625 7.9979 120.6602 57.7800 41.5797 179.6664 165 I 3.6685 8.1045 120.1380 64.2921 37.1898 178.4282 166 K 3.9725 8.3714 119.7709 59.4708 31.8758 179.4896 167 G 3.8067 8.2084 105.6797 48.1768 0.0000 175.9158 168 I 3.8077 8.0260 122.9143 64.0212 37.0858 178.6174 169 T 3.8160 8.2417 117.2229 66.6790 68.2575 176.4035 170 Q 3.8531 7.9401 121.0233 58.9131 27.7084 177.8297 171 S 3.4600 7.8338 114.2161 61.7103 62.3654 176.0123 172 Y 4.1510 8.3068 119.0967 60.9801 37.5346 177.6664 173 Y 4.8351 8.0462 122.0174 60.4032 38.6108 177.6524 174 Y 4.3900 7.6697 117.0405 60.5145 37.9790 177.2846 175 E 4.4795 7.3770 117.2552 56.0703 29.8334 176.9326 176 G 3.8005 7.8974 107.7211 45.0086 0.0000 173.2247 177 L 4.3389 8.0160 122.5154 53.9242 42.4002 177.0943 178 G 3.9476 8.7376 114.2910 45.7606 0.0000 172.4212 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 G 8.35 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 0 H 9.08 4.37 0.00 2.97 2.46 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 9.55 4.95 0.00 3.16 3.24 0.00 5.62 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 3 L 8.19 3.98 0.00 1.74 1.71 0.88 1.07 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 4 D 8.13 4.54 0.00 2.85 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 5 R 8.02 3.85 0.00 1.94 2.13 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 6 Q 8.11 3.91 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 7 S 8.28 3.96 0.00 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.92 2.96 0.00 1.30 1.57 0.27 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.83 3.96 0.00 2.04 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 2.42 2.44 0.00 10 K 7.65 4.07 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.54 7.81 11 A 8.06 3.94 1.23 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 0.00 0.00 0.00 12 K 8.21 3.76 0.00 1.89 1.99 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 13 H 8.33 4.22 0.00 3.30 3.63 0.00 5.62 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 14 L 8.07 3.31 0.00 1.28 1.65 -0.16 0.58 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 15 I 7.46 3.61 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 0.88 0.00 0.00 16 Q 8.25 4.01 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 17 S 8.02 4.28 0.00 3.98 3.92 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 18 G 8.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.73 3.93 0.00 1.43 1.54 1.03 0.76 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 20 I 7.48 3.50 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.17 0.83 0.00 0.00 21 D 7.94 4.51 0.00 2.82 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 22 T 7.73 4.55 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 I 7.44 4.00 1.89 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 1.13 0.75 1.00 0.00 0.00 24 E 9.36 4.04 0.00 2.12 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 2.37 2.29 0.00 25 V 8.36 4.22 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 0.75 0.00 0.00 0.95 0.00 0.00 26 G 8.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.73 5.04 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 28 I 9.08 3.66 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.95 0.84 0.00 0.00 29 K 8.34 4.23 0.00 2.06 1.95 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.53 7.81 30 G 8.34 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 31 L 8.19 4.22 0.00 1.37 1.82 0.90 0.44 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 32 Q 8.74 4.35 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 33 E 8.63 4.07 0.00 2.32 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 2.44 2.69 0.00 34 I 7.83 3.75 2.19 0.00 0.00 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 1.49 0.94 1.05 0.00 0.00 35 H 8.27 4.08 0.00 2.74 3.10 0.00 5.60 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 36 R 8.69 3.96 0.00 2.13 2.14 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 37 F 8.16 3.77 0.00 3.28 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.04 3.96 0.00 0.33 0.74 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.62 4.67 0.00 3.02 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 40 E 7.95 3.94 0.00 1.95 1.74 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 2.23 2.27 0.00 41 G 8.86 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 42 L 7.73 4.39 0.00 1.40 1.39 0.90 0.61 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 43 Y 7.09 4.50 0.00 2.33 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 44 E 8.84 3.92 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 45 F 7.35 4.78 0.00 3.33 3.27 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 46 A 7.49 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.51 4.15 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 0.00 0.00 0.00 48 K 8.15 4.73 0.00 2.03 1.82 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.68 7.81 49 I 8.23 3.66 1.79 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 1.41 0.65 0.75 0.00 0.00 50 R 8.64 4.07 0.00 1.67 1.80 0.00 3.03 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 51 D 8.31 4.90 0.00 2.68 2.67 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 52 K 7.63 4.62 0.00 1.58 1.61 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.27 7.81 53 N 8.38 4.93 0.00 2.54 2.68 0.00 0.00 6.70 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 54 I 8.11 4.90 1.91 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 1.28 1.11 0.82 0.00 0.00 55 A 8.47 5.19 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 56 K 8.69 4.53 0.00 1.99 1.65 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.41 7.81 57 G 8.39 3.65 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 0.00 0.00 0.00 58 N 8.84 4.60 0.00 2.71 2.81 0.00 0.00 6.64 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 59 F 8.18 4.16 0.00 2.98 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 60 R 7.60 4.51 0.00 1.67 1.53 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 61 F 8.73 4.54 0.00 3.01 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 62 A 8.43 4.02 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 63 N 8.98 4.28 0.00 2.42 1.71 0.00 0.00 6.97 7.65 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 64 C 9.61 4.23 0.00 3.04 3.18 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 65 L 7.98 3.93 0.00 1.40 1.25 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.71 4.81 0.00 2.96 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 67 L 7.50 4.02 0.00 1.70 1.66 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.12 4.40 0.00 2.83 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 69 L 7.72 4.38 0.00 1.87 1.74 0.96 0.80 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 70 I 8.22 3.92 1.88 0.00 0.00 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0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.51 0.00 98 F 6.72 4.88 0.00 3.07 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 99 L 8.02 3.74 0.00 0.27 0.22 0.25 0.55 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 0.00 100 E 7.73 4.42 0.00 1.62 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 2.11 2.29 0.00 101 G 8.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.25 4.52 0.00 2.33 2.59 0.00 0.00 6.92 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 0.00 103 G 7.99 3.72 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 0.00 0.00 0.00 104 R 7.93 3.84 0.00 1.80 1.80 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 105 A 8.05 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.52 3.82 0.70 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 -0.84 0.00 0.00 0.51 0.00 0.00 123 L 8.86 4.30 0.00 1.74 1.58 0.90 0.93 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 0.00 124 W 8.02 4.42 0.00 3.49 3.14 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 0.00 125 D 8.24 4.60 0.00 2.77 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 0.00 126 R 8.06 4.37 0.00 1.87 1.97 0.00 3.14 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 127 I 7.91 4.31 2.33 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 1.17 0.48 1.19 0.00 0.00 128 D 8.71 4.63 0.00 2.81 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 0.00 129 K 9.04 4.12 0.00 2.38 2.07 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.68 7.81 130 A 8.15 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.85 3.95 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 0.00 132 Y 8.07 4.05 0.00 2.79 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 0.00 133 L 7.90 3.82 0.00 1.63 1.64 0.93 0.82 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 0.00 134 S 8.29 4.21 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.77 4.22 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 *137 E 8.13 3.95 0.00 1.89 2.15 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 2.10 2.16 0.00 138 R 7.80 4.09 0.00 1.94 1.85 0.00 3.18 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 139 S 7.60 4.30 0.00 4.04 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 0.00 140 P 0.00 4.49 0.00 2.08 2.27 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.99 0.00 141 V 7.01 4.21 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 0.82 0.00 0.00 0.95 0.00 0.00 142 N 8.16 4.83 0.00 2.69 2.59 0.00 0.00 6.94 9.28 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 0.00 143 D 8.71 4.83 0.00 3.02 2.90 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 0.00 144 L 8.29 4.00 0.00 1.92 1.80 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.27 3.95 0.00 2.02 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 2.43 2.40 0.00 146 I 7.73 3.91 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 1.06 0.00 0.00 147 K 8.49 4.14 0.00 2.14 2.08 0.00 1.82 0.00 0.00 1.99 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 148 T 8.58 3.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 149 L 7.93 4.14 0.00 1.88 2.02 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.30 4.16 0.00 2.11 1.89 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.11 3.48 0.00 1.66 1.66 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.05 0.38 7.81 152 K 7.40 4.18 0.00 1.86 1.57 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.40 7.81 153 H 8.20 5.00 0.00 2.96 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.86 5.01 0.00 1.42 1.50 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.82 4.71 0.00 3.78 3.59 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 0.00 156 S 8.82 4.40 0.00 3.88 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 0.00 157 N 7.91 4.66 0.00 2.76 2.70 0.00 0.00 6.81 7.37 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 0.00 158 T 7.57 4.20 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 1.22 0.00 0.00 159 N 7.53 4.81 0.00 2.69 2.84 0.00 0.00 6.88 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 0.00 160 D 7.98 4.34 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.35 0.00 2.18 2.05 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 162 L 8.01 3.91 0.00 1.74 1.65 0.90 0.84 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 0.00 163 T 7.55 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 164 L 8.00 4.06 0.00 1.85 1.72 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 165 I 8.10 3.67 1.84 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 1.76 0.93 0.86 0.00 0.00 166 K 8.37 3.97 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 167 G 8.21 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 0.00 168 I 8.03 3.81 1.83 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 1.55 0.86 0.87 0.00 0.00 169 T 8.24 3.82 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 170 Q 7.94 3.85 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.40 1.62 0.00 171 S 7.83 3.46 0.00 3.40 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 0.00 172 Y 8.31 4.15 0.00 3.17 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 0.00 173 Y 8.05 4.84 0.00 3.12 3.09 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 0.00 174 Y 7.67 4.39 0.00 3.13 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 0.00 175 E 7.38 4.48 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 2.43 2.32 0.00 176 G 7.90 3.80 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 0.00 0.00 0.00 177 L 8.02 4.34 0.00 1.88 1.85 1.00 1.28 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 0.00 178 G 8.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.