NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.7362 8.2348 115.3685 58.0756 64.1992 173.3282 5 R 4.3028 8.5709 124.2161 55.6964 31.6022 174.6659 6 F 5.2473 9.7640 119.6524 55.8779 42.5827 174.8571 7 I 4.6967 8.8432 123.1377 59.4490 40.3881 174.2055 8 K 4.8405 9.9534 129.5202 54.9561 34.3098 174.4472 9 C 5.0578 9.3760 128.1766 57.7731 34.2547 172.3903 10 V 4.8537 8.0765 126.8168 61.8440 33.2146 174.5457 11 T 4.9145 8.7357 124.8700 62.4735 69.6574 174.6719 12 V 4.2939 8.9381 119.7919 57.9538 35.3499 175.0047 13 G 3.6272 7.0671 109.0067 46.0438 0.0000 171.5954 14 D 5.0868 8.2051 120.2684 53.7989 41.6293 176.4879 15 G 3.9075 8.5541 108.4182 46.5902 0.0000 174.9819 16 A 3.8836 8.6416 120.9099 52.5927 17.0266 179.3935 17 V 3.7349 7.4908 108.2740 62.4777 32.5941 176.5523 18 G 3.9587 8.3378 108.1982 46.1888 0.0000 174.3995 19 K 4.1072 7.7735 119.4113 58.8169 33.3953 178.9826 20 T 4.0015 7.8672 115.0925 66.2096 68.2069 176.0974 21 C 4.1574 7.9156 118.4240 62.4303 28.5913 175.0550 22 M 4.0199 7.6803 119.3533 58.8491 31.2989 178.2187 23 L 3.7081 8.9042 119.3471 57.8690 41.4818 179.5932 24 I 3.7866 7.2102 119.6759 64.4574 36.9531 178.5040 25 S 4.1466 8.5419 114.4354 61.3444 62.0394 175.3590 26 Y 4.1074 8.0600 121.6782 60.7872 38.5041 177.6927 27 T 3.7915 7.2298 113.5853 64.2193 69.1343 175.7089 28 S 4.4607 7.2795 111.2653 56.5453 65.2826 173.2770 29 N 4.2752 8.2190 116.9699 55.0693 35.4851 172.7874 30 T 4.7488 7.2229 113.5449 62.9259 72.6617 173.0236 31 F 4.5280 8.1048 118.3525 57.9209 42.8509 171.3815 32 P 4.7850 0.0000 0.0000 62.3587 29.8371 178.3689 33 T 3.6887 8.3985 122.7565 62.0009 68.7038 170.1226 *37 P 4.2546 0.0000 0.0000 63.0924 32.1080 177.2216 38 T 4.4854 8.1105 108.4453 62.1943 67.9517 172.7907 39 V 4.4344 8.1682 120.4963 59.1737 34.3031 176.0401 40 F 4.7040 8.4772 126.5012 55.8732 39.0783 174.4076 41 D 4.3276 7.9221 125.7782 53.2882 41.4301 176.4237 42 N 3.9108 8.2744 118.9125 54.0689 39.0973 174.2683 43 F 4.7308 8.5150 124.3085 56.4112 42.7895 173.3317 44 S 5.2210 7.7460 118.9268 56.8241 65.7107 172.3908 45 A 4.3252 8.2848 124.2849 51.0552 23.0525 175.0347 46 N 5.0059 8.6223 117.5187 52.9053 39.6875 175.3018 47 V 4.4855 8.8105 116.8423 59.3945 35.7245 174.9794 48 V 4.3780 8.4544 124.7719 62.1780 32.3278 175.1494 49 V 4.1007 8.2944 130.4682 63.6205 33.4602 176.0692 50 D 4.4022 9.5753 123.8855 54.3420 36.4278 169.8483 51 G 4.4205 8.0656 116.5418 45.4437 0.0000 172.1128 52 N 4.8330 7.8070 116.6245 51.8758 39.8278 173.9758 53 T 4.8759 8.1095 111.6000 60.5069 71.6175 173.6405 54 V 4.4560 8.7666 123.3559 61.3173 35.4470 173.5591 55 N 4.8374 8.7685 127.2751 52.4854 39.7217 173.0269 56 L 4.9431 8.6104 129.8441 53.5605 44.2407 175.1498 57 G 4.6579 9.6135 113.8969 44.5535 0.0000 171.7435 58 L 5.5618 9.6533 125.8639 52.9949 44.5461 175.6368 59 W 5.0850 9.1914 122.4947 55.0942 32.6583 174.0195 60 D 5.4062 9.2447 124.4207 53.0476 42.3275 175.9713 61 T 4.5335 8.1992 111.0285 61.1585 69.8491 173.1346 62 A 4.1340 8.4776 124.9868 53.4281 18.0431 177.5146 63 G 4.1352 10.8852 113.0729 46.0516 0.0000 174.7238 64 Q 4.5813 7.7825 118.5277 56.5360 28.7053 176.1051 65 E 4.4284 8.2169 114.9108 57.8435 29.8649 176.7666 66 D 4.9181 7.7888 117.1283 54.7200 43.3339 176.0385 67 Y 4.9371 7.6703 120.1926 56.0733 41.4285 175.0060 68 N 4.2865 8.5025 125.3853 55.6476 37.7458 175.9274 69 R 4.1830 6.6983 115.1856 55.9971 30.4675 177.0094 70 L 4.1978 7.7238 122.1221 57.4604 42.3523 177.4617 71 R 4.5419 7.5670 118.1287 53.0407 29.5179 173.6911 72 P 4.3753 0.0000 0.0000 65.1360 30.1623 177.5929 73 L 4.4182 7.7118 117.9808 55.1374 42.6102 178.4384 74 S 3.9471 7.4823 113.9991 61.7372 62.4582 175.4442 75 Y 4.6858 7.2921 116.6542 59.7317 38.2815 175.5916 76 R 4.0485 7.2924 119.2751 57.8125 30.1355 175.8754 77 G 3.9436 8.8109 113.4407 46.2585 0.0000 172.7005 78 A 4.0292 7.4210 121.0837 51.5484 19.0921 178.4816 79 D 4.6981 8.5347 122.7995 56.5468 41.9781 177.4841 80 V 4.4976 7.1559 115.6397 60.5273 34.6338 173.0393 81 F 5.2471 9.1040 122.0126 56.2351 41.7742 174.7625 82 I 4.6295 8.6491 123.3189 59.7546 39.1122 174.4662 83 L 4.8469 9.1734 130.6852 53.4681 43.4006 174.6984 84 A 5.9366 8.6614 128.7909 49.5923 20.9627 175.6924 85 F 5.1045 8.2023 114.9651 54.9550 42.3665 173.5171 86 S 4.9332 8.7024 114.9416 56.7855 63.2716 174.8613 87 L 4.4241 9.2033 127.6669 56.2070 42.1666 178.0778 88 I 4.7893 7.6781 112.4373 60.5158 39.3755 175.5121 89 S 4.6770 8.7601 120.1676 56.8168 63.7717 175.1689 90 K 4.1905 8.8102 133.7693 59.4445 31.4326 176.0463 91 A 4.2828 8.0947 120.2759 55.5722 18.5617 179.7338 92 S 4.9673 8.2357 114.2356 61.2476 62.8370 175.8430 93 Y 3.6507 7.9207 122.1789 60.7465 38.7990 178.0197 94 E 4.0323 8.4315 119.1277 59.2059 29.4941 178.9840 95 N 4.3856 8.1612 116.7057 55.5674 38.5739 177.2687 96 V 3.8020 7.6309 119.5355 66.3099 31.2360 177.8693 97 A 3.9308 7.7308 120.3751 55.9175 18.4966 180.0451 98 K 4.0637 7.8879 120.8693 58.5438 31.9645 179.4953 99 K 4.3389 8.4288 118.2788 57.6411 34.3131 178.2095 100 W 4.4084 7.8743 118.0874 59.6932 29.1558 178.3217 101 I 3.6891 7.8924 119.7908 64.2490 36.6966 176.6208 102 P 4.3220 0.0000 0.0000 65.5407 31.0105 178.5427 103 E 4.0210 7.7855 115.9752 59.5256 29.4245 179.4368 104 L 3.6391 8.0278 119.0026 57.5300 41.4374 179.4551 105 R 3.8913 8.1664 117.6677 59.6022 30.0282 178.2700 106 H 4.1872 7.7316 116.3826 59.4010 30.0951 176.6782 107 Y 4.3377 7.9380 117.5376 59.5782 38.9984 176.3057 108 A 4.7075 7.7017 121.9548 49.0685 19.5231 173.6151 109 P 4.3104 0.0000 0.0000 63.0534 32.3201 177.9558 110 G 3.9326 8.6008 106.1056 46.3215 0.0000 173.0040 111 V 4.3519 7.2882 118.4666 60.2181 32.5196 174.0889 112 P 4.4300 0.0000 0.0000 63.7466 32.2611 174.9112 113 I 4.9806 8.2441 121.7767 59.6692 39.8220 175.0680 114 I 4.0885 8.7462 129.2957 60.7515 38.4889 174.7501 115 L 5.0138 8.5842 129.4348 53.9715 43.8287 175.3846 116 V 5.2571 8.5962 125.7693 60.0971 35.2181 173.9542 117 G 3.6766 8.6060 114.8404 44.6848 0.0000 172.7141 118 T 4.8784 8.2207 114.5821 60.1635 72.3319 174.0473 119 K 4.0371 8.2307 117.6677 57.2111 28.8878 178.4164 120 L 3.8013 7.7669 123.2896 58.3257 42.0537 178.1760 121 D 4.5522 7.8547 115.1472 54.3104 40.1495 176.6328 122 L 4.2760 8.0180 120.0895 55.4995 42.4503 178.6387 123 R 4.1752 7.9226 121.1674 59.0181 30.5715 176.9490 124 D 5.0603 7.9269 115.6754 52.3289 40.3509 181.2540 125 D 4.8115 8.2006 124.3798 52.8379 40.7191 175.8897 126 K 4.1373 8.6658 126.4437 57.6486 32.4631 178.4224 127 Q 4.0551 8.4960 119.8220 59.2144 28.9237 177.7069 128 F 4.2321 9.1542 121.9862 61.6217 38.6520 176.9768 129 F 4.0466 8.4491 118.6880 60.3384 38.8565 178.6353 130 I 3.8027 7.8690 118.6036 65.3453 35.3419 180.0013 131 D 4.7518 7.9015 118.7341 55.8873 42.2779 176.5294 132 H 4.7073 7.4373 116.1493 52.5222 29.0409 172.1058 133 P 4.4164 0.0000 0.0000 64.6367 31.3837 178.5435 134 G 3.6833 7.9350 105.5998 46.7880 0.0000 173.4328 135 A 4.5939 7.7830 121.7724 51.5234 20.1007 177.2357 136 V 4.5781 8.2509 118.5435 60.8164 34.5158 172.9375 137 P 4.8683 0.0000 0.0000 62.8173 32.2326 175.7009 138 I 4.3955 8.8452 125.3618 60.6517 38.1385 175.8694 139 T 4.4144 9.4901 117.6469 60.7903 70.2865 175.8863 140 T 4.8950 8.5813 121.2860 66.5004 68.3268 176.5234 141 N 4.3846 7.7583 118.7245 56.5559 38.6271 177.5074 142 Q 4.3046 8.2846 119.4970 58.5205 28.6136 179.2701 143 G 3.1682 7.8770 107.8942 46.9939 0.0000 175.0146 144 E 3.9120 8.1841 122.6085 58.8878 29.6248 178.4577 145 E 3.8792 8.6576 119.3652 59.2367 29.6203 178.4803 146 L 3.7866 7.9603 120.2277 57.9058 42.0059 178.4824 147 K 3.7593 8.3463 119.7991 59.6520 31.9898 178.3842 148 K 3.8287 7.9202 118.3879 59.5649 31.8299 178.7523 149 L 3.9261 7.5333 118.9814 58.0959 42.1034 178.3602 150 I 4.1375 7.7745 109.4827 60.3275 37.8530 175.9445 151 G 3.8971 7.9306 108.3374 46.6910 0.0000 174.1020 152 S 4.4217 7.6106 113.1874 56.8135 63.1003 172.6438 153 P 4.4842 0.0000 0.0000 65.2449 31.7711 176.9955 154 I 4.7077 7.6505 109.3877 59.5640 40.9594 173.4072 155 Y 5.4170 8.7982 125.8873 56.1337 41.3405 173.9694 156 I 4.3355 8.3292 127.3640 59.3912 40.6834 174.4318 157 E 4.8793 8.1447 125.1386 55.1248 32.1296 174.6625 158 C 4.9259 8.5851 116.9766 57.6863 34.2558 172.6907 159 S 4.7774 8.4901 113.3184 57.1413 64.6562 175.0545 160 S 4.1923 9.0378 124.7828 61.1924 63.5301 176.3720 161 K 3.1024 7.7506 122.5474 56.9636 31.4277 182.9514 162 T 4.1406 7.2959 107.7395 61.1363 69.6881 175.8224 163 Q 3.7080 8.1322 120.3837 55.7579 27.2627 172.6740 164 Q 4.0367 7.5732 120.7121 57.5018 29.3499 176.6476 165 N 4.4592 9.0475 121.2530 54.0375 36.3157 176.2945 166 V 3.5297 7.7973 118.9539 66.0401 31.5649 177.5675 167 K 4.1830 8.3583 118.5924 59.6474 31.8083 177.8691 168 A 3.9763 8.1470 120.4381 55.5624 18.0684 179.1952 169 V 3.3155 7.5210 115.9521 66.5312 31.4566 178.2471 170 F 3.8575 7.4374 115.7791 60.3475 38.6326 177.3824 171 D 4.4258 8.5175 118.6869 57.5572 40.5525 178.8612 172 A 3.9396 8.2304 121.1121 54.8900 18.0867 179.5780 173 A 3.9098 7.8792 118.8477 55.2982 18.7195 179.6664 174 I 3.8942 8.3449 121.1728 65.1447 37.3738 179.1714 175 K 3.9222 8.5875 125.1815 60.0918 31.2357 180.9602 176 V 4.0046 7.3870 118.8297 63.9497 31.6583 178.2613 177 V 3.8124 7.5018 117.9706 64.9768 31.4651 176.8699 178 L 4.4840 7.3182 116.0435 54.5699 41.7810 176.6373 179 Q 4.2548 7.6880 123.6165 56.6814 29.7068 173.7385 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 4 S 8.23 4.74 0.00 3.99 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 5 R 8.57 4.30 0.00 1.92 2.00 0.00 3.10 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 6 F 9.76 5.25 0.00 2.84 3.04 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 7 I 8.84 4.70 1.95 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 1.16 0.85 0.96 0.00 0.00 8 K 9.95 4.84 0.00 1.84 1.70 0.00 1.31 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.27 7.81 9 C 9.38 5.06 0.00 3.07 3.11 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 0.00 0.00 0.00 10 V 8.08 4.85 2.17 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 1.17 0.00 0.00 0.74 0.00 0.00 11 T 8.74 4.91 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 1.17 0.00 0.00 12 V 8.94 4.29 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 1.11 0.00 0.00 0.37 0.00 0.00 13 G 7.07 3.63 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 0.00 0.00 0.00 14 D 8.21 5.09 0.00 2.95 2.82 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 15 G 8.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.64 3.88 1.44 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 0.00 0.00 0.00 17 V 7.49 3.73 2.13 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 0.90 0.00 0.00 1.00 0.00 0.00 18 G 8.34 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 19 K 7.77 4.11 0.00 1.79 1.81 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 20 T 7.87 4.00 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 1.30 0.00 0.00 21 C 7.92 4.16 0.00 3.17 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 22 M 7.68 4.02 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 23 L 8.90 3.71 0.00 1.19 0.13 0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.21 3.79 1.95 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 1.56 0.84 0.94 0.00 0.00 25 S 8.54 4.15 0.00 4.09 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 26 Y 8.06 4.11 0.00 2.80 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 27 T 7.23 3.79 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 1.08 0.00 0.00 28 S 7.28 4.46 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.28 0.00 2.89 2.98 0.00 0.00 6.76 7.07 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 30 T 7.22 4.75 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 1.24 0.00 0.00 31 F 8.10 4.53 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 1.79 1.37 0.00 3.09 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 33 T 8.40 3.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *37 P 0.00 4.25 0.00 2.11 1.95 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 38 T 8.11 4.49 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 1.19 0.00 0.00 39 V 8.17 4.43 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 40 F 8.48 4.70 0.00 2.89 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.92 4.33 0.00 2.49 2.39 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 0.00 42 N 8.27 3.91 0.00 2.34 2.31 0.00 0.00 6.65 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 43 F 8.52 4.73 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 5.22 0.00 3.85 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 45 A 8.28 4.33 0.95 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 46 N 8.62 5.01 0.00 2.56 2.71 0.00 0.00 6.73 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 47 V 8.81 4.49 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 1.02 0.00 0.00 48 V 8.45 4.38 2.09 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 0.74 0.00 0.00 0.93 0.00 0.00 49 V 8.29 4.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 50 D 9.58 4.40 0.00 2.81 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 51 G 8.07 4.42 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 0.00 52 N 7.81 4.83 0.00 2.80 2.73 0.00 0.00 6.68 6.97 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 53 T 8.11 4.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.30 0.00 0.00 62 A 8.48 4.13 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 63 G 10.89 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 64 Q 7.78 4.58 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 65 E 8.22 4.43 0.00 2.10 2.14 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 2.52 2.59 0.00 66 D 7.79 4.92 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.67 4.94 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.50 4.29 0.00 2.79 2.88 0.00 0.00 6.28 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 69 R 6.70 4.18 0.00 1.34 1.85 0.00 3.11 0.00 0.00 3.01 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.00 70 L 7.72 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4.39 0.00 3.10 2.91 0.00 0.00 6.49 7.70 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 96 V 7.63 3.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.85 0.00 0.00 97 A 7.73 3.93 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 98 K 7.89 4.06 0.00 1.89 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 99 K 8.43 4.34 0.00 1.40 1.45 0.00 0.61 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 0.84 1.12 7.81 100 W 7.87 4.41 0.00 3.62 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 0.00 101 I 7.89 3.69 1.99 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 1.50 0.37 0.88 0.00 0.00 102 P 0.00 4.32 0.00 2.06 2.03 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 103 E 7.79 4.02 0.00 2.31 2.07 0.00 0.00 0.00 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0.00 0.00 0.00 0.71 0.00 0.00 1.13 0.00 0.00 112 P 0.00 4.43 0.00 2.17 2.21 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 113 I 8.24 4.98 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.97 0.00 0.00 114 I 8.75 4.09 1.82 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 1.06 0.40 0.83 0.00 0.00 115 L 8.58 5.01 0.00 1.88 1.81 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.60 5.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.80 0.00 0.00 117 G 8.61 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 0.00 118 T 8.22 4.88 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 1.10 0.00 0.00 119 K 8.23 4.04 0.00 1.99 1.92 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 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0.00 3.09 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 0.00 129 F 8.45 4.05 0.00 3.09 3.04 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 0.00 130 I 7.87 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.62 0.91 0.00 0.00 131 D 7.90 4.75 0.00 2.94 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 0.00 132 H 7.44 4.71 0.00 2.30 2.79 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.42 0.00 2.16 2.21 0.00 3.27 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 134 G 7.93 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 0.00 135 A 7.78 4.59 1.25 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 0.00 0.00 136 V 8.25 4.58 2.16 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 0.79 0.00 0.00 0.98 0.00 0.00 137 P 0.00 4.87 0.00 2.03 1.92 0.00 3.58 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 0.00 138 I 8.85 4.40 2.09 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 0.81 0.00 0.00 139 T 9.49 4.41 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 1.22 0.00 0.00 140 T 8.58 4.89 4.32 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 1.41 0.00 0.00 141 N 7.76 4.38 0.00 3.00 2.87 0.00 0.00 6.91 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 0.00 142 Q 8.28 4.30 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 143 G 7.88 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 0.00 0.00 0.00 144 E 8.18 3.91 0.00 2.35 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 2.38 2.43 0.00 145 E 8.66 3.88 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 146 L 7.96 3.79 0.00 1.97 1.57 0.34 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.35 3.76 0.00 1.75 1.99 0.00 1.75 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.87 7.81 148 K 7.92 3.83 0.00 1.94 1.86 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 149 L 7.53 3.93 0.00 1.79 1.83 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.77 4.14 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 0.86 0.00 0.00 151 G 7.93 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 0.00 152 S 7.61 4.42 0.00 3.92 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 0.00 153 P 0.00 4.48 0.00 2.10 2.11 0.00 3.93 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 2.05 2.09 0.00 154 I 7.65 4.71 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 1.11 0.41 0.93 0.00 0.00 155 Y 8.80 5.42 0.00 3.05 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 0.00 156 I 8.33 4.34 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.02 0.75 0.00 0.00 157 E 8.14 4.88 0.00 1.74 1.70 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 2.09 1.68 0.00 158 C 8.59 4.93 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.78 0.00 3.77 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 0.00 160 S 9.04 4.19 0.00 4.18 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 0.00 161 K 7.75 3.10 0.00 1.80 1.77 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 162 T 7.30 4.14 4.17 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 1.11 0.00 0.00 163 Q 8.13 3.71 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 164 Q 7.57 4.04 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.82 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 165 N 9.05 4.46 0.00 2.95 2.87 0.00 0.00 6.74 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 0.00 166 V 7.80 3.53 2.25 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 1.22 0.00 0.00 1.00 0.00 0.00 167 K 8.36 4.18 0.00 2.04 1.91 0.00 1.88 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.79 1.78 7.81 168 A 8.15 3.98 1.29 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 0.00 0.00 0.00 169 V 7.52 3.32 1.71 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 0.56 0.00 0.00 0.75 0.00 0.00 170 F 7.44 3.86 0.00 2.75 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 0.00 171 D 8.52 4.43 0.00 2.94 2.76 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 0.00 172 A 8.23 3.94 1.34 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 0.00 0.00 173 A 7.88 3.91 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 0.00 174 I 8.34 3.89 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.95 0.00 0.00 175 K 8.59 3.92 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 176 V 7.39 4.00 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 0.97 0.00 0.00 0.94 0.00 0.00 177 V 7.50 3.81 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 0.87 0.00 0.00 1.02 0.00 0.00 178 L 7.32 4.48 0.00 1.86 1.70 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 7.69 4.25 0.00 2.24 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.