NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1769 8.2644 123.5918 51.8981 20.1804 175.9126 *2 N 4.4707 8.3373 118.8892 53.2600 40.2765 174.7410 3 L 3.6458 8.6608 127.1945 57.9960 42.2537 178.7987 4 K 3.7972 7.9147 119.0515 59.6330 32.0638 178.0028 5 Q 3.9439 8.1334 118.8672 59.3242 28.9125 177.9036 6 A 4.0118 8.5376 121.9364 55.5944 18.3511 179.6943 7 L 4.0848 8.2304 117.1891 57.6295 41.6287 179.9066 8 I 3.7694 7.7796 119.9711 64.5157 37.0151 178.1282 9 D 4.4607 8.7729 118.7739 56.5889 40.6911 177.5769 10 N 4.8637 7.7830 115.1060 51.0282 40.0968 174.1185 11 N 4.1745 7.7833 117.6678 54.7372 36.6606 174.4959 12 S 4.8121 7.8695 107.9044 58.2520 64.8537 174.1686 13 I 4.5721 7.7861 121.1934 61.4221 38.0565 175.5045 14 R 4.7072 9.3036 125.4014 54.3573 33.6301 174.0349 15 L 4.8430 8.5609 122.9825 53.0028 44.4967 176.9524 16 G 3.9029 8.4357 113.6526 46.5964 0.0000 173.0323 17 L 4.4026 7.1553 115.9799 54.1201 43.0404 176.6948 18 S 4.8546 8.1221 112.7660 57.1872 65.5858 173.4236 19 A 4.7056 8.3578 125.7551 50.7188 21.8348 175.3548 20 D 4.7762 8.7546 119.8836 54.4867 42.0583 177.2307 21 T 4.6575 7.3983 109.8564 58.8029 73.0345 174.6486 22 W 3.8268 8.1926 119.5491 59.7095 28.0395 178.4614 23 Q 3.6724 6.6369 118.3137 58.5973 28.0911 178.4179 24 E 3.9003 7.7482 119.4927 59.2658 29.4016 179.3000 25 A 4.0483 8.1044 120.9161 55.1052 18.4101 179.8408 26 V 3.6873 8.4302 117.2465 66.2297 31.5972 178.1359 27 R 3.2214 8.0949 118.3883 59.3797 29.5960 178.5271 28 L 3.9251 7.8065 117.3952 57.5369 41.6638 178.9614 29 A 4.1684 8.1501 120.5942 55.0354 18.6396 179.3577 30 V 3.8667 8.6859 117.0203 65.3496 31.6696 177.7435 31 Q 3.8927 8.2063 119.8723 59.1183 28.5842 177.4470 32 P 4.4526 0.0000 0.0000 64.8706 31.5853 177.5759 33 L 4.4324 8.3878 117.4358 55.8916 42.0764 179.0337 34 I 4.0376 7.4316 121.1638 63.9889 37.1323 177.6294 35 D 4.5149 8.1343 117.6855 56.3115 41.2408 177.6263 36 S 4.5450 8.3898 113.1303 56.9245 63.4396 175.0906 37 K 3.9074 8.0613 117.7848 56.9539 29.9861 176.5154 38 A 4.0923 7.5731 122.7537 54.6555 18.5164 177.7525 39 V 5.0175 7.9268 106.7398 59.4783 36.1014 174.0226 40 T 4.7488 8.0949 115.2416 61.3153 71.8963 175.4640 41 S 4.5358 8.7740 118.6214 60.6940 62.7656 176.4546 42 A 4.0146 8.0293 125.0098 55.4152 18.1169 178.7476 43 Y 4.1682 8.5605 118.4522 60.9841 38.8326 177.1186 44 Y 4.2148 8.3224 120.0603 61.3521 38.8880 178.0719 45 D 3.8229 8.2609 119.3029 56.8998 40.7155 178.8406 46 A 3.9583 8.2192 121.8515 55.1066 18.4041 179.5610 47 I 3.5701 7.6346 118.5714 64.6075 37.0967 178.6872 48 I 4.0052 7.4893 119.8854 64.4050 36.9838 178.0006 49 A 4.0201 7.7370 121.1126 55.6073 18.1078 179.8686 50 S 4.2062 8.3861 113.3932 62.2885 63.0031 177.1876 51 T 4.3090 8.7734 120.0067 66.1858 67.8899 176.6483 52 E 4.1218 8.5643 120.3370 59.0896 29.5872 178.9750 53 K 3.9269 7.9537 118.8668 59.0243 32.4105 177.7020 54 Y 4.7823 8.1395 113.6436 56.8148 39.2074 176.6521 55 G 3.8122 8.2509 110.1513 44.0297 0.0000 171.9124 56 P 3.8561 0.0000 0.0000 60.8990 29.9316 176.7299 57 Y 4.0898 7.4207 117.5739 60.3741 38.2413 177.5500 58 Y 4.3209 5.9810 115.7592 56.4899 38.4498 175.7125 59 V 3.6714 6.7838 121.5022 61.9632 30.3484 175.6223 60 L 3.9626 7.9795 127.4631 55.9479 42.0486 175.8156 *62 P 4.0015 0.0000 0.0000 63.4270 32.4156 176.4101 63 G 3.5786 8.7192 112.4245 46.3716 0.0000 172.3529 *65 A 4.2038 7.5671 121.3953 50.8146 21.1311 173.9507 *67 P 2.9700 0.0000 0.0000 62.6082 32.9043 175.7157 68 H 5.0541 7.7425 117.2474 55.5127 31.3737 172.4371 69 A 4.5827 8.6036 121.2819 51.6539 22.3674 177.2481 70 E 4.1875 8.8900 114.9587 57.0454 29.0525 178.8201 71 A 3.8910 8.0000 123.9050 53.2965 19.9875 181.6128 72 G 3.7739 7.3737 95.0000 44.9643 0.0000 177.6840 73 L 4.4627 8.8312 125.9126 54.7075 42.5863 177.5705 74 G 3.6493 8.1684 107.9678 47.5258 0.0000 173.0602 75 V 4.0387 7.1508 119.5591 61.4731 31.2981 175.1119 76 N 4.6582 8.4526 125.3546 54.3989 39.1745 175.7654 77 R 4.5596 7.1242 114.4863 54.7641 34.0272 174.0453 78 N 4.7273 8.4883 118.4700 53.4305 39.4225 174.2777 79 A 4.5859 8.4927 123.0675 51.0881 23.3045 174.9068 80 F 5.5046 8.8202 116.9825 55.7212 42.5437 174.5479 81 A 4.9286 8.7909 122.4056 49.3091 23.3107 175.0659 82 L 5.0478 8.5921 120.7973 54.1886 45.5818 174.5084 83 I 5.8109 8.9154 119.4015 58.3610 41.6610 174.3055 84 T 4.8788 8.4123 119.4501 61.9630 71.4479 173.2945 85 L 5.0293 8.8407 126.7962 54.0648 42.9863 177.1489 86 T 4.2304 8.4704 117.7947 65.6963 69.3187 175.6038 87 K 4.2625 7.6690 121.3351 54.2286 34.8506 172.6382 88 P 4.7553 0.0000 0.0000 62.3421 31.5488 176.2533 89 V 3.7569 8.5938 125.4237 63.8373 32.6225 174.5933 90 T 4.9951 8.4914 123.3323 62.5377 70.2098 174.6141 91 F 4.3775 9.0378 125.0349 55.0438 41.8272 177.9935 92 S 4.5762 8.0132 113.6171 57.9465 61.8964 174.0813 93 D 4.3987 9.3002 116.0574 53.7246 40.3603 177.1527 94 G 3.9777 8.6036 105.7980 46.9803 0.0000 173.9059 95 K 4.2593 7.5366 119.2997 55.6908 33.0920 176.1414 96 E 4.7486 8.7790 125.5569 55.9604 31.1344 175.9324 97 V 4.5332 9.0472 123.5913 61.4633 34.3373 175.7592 98 S 4.7148 8.8801 121.9594 58.2396 66.1508 173.7782 99 V 4.9274 7.9075 118.9292 60.8996 34.0966 175.2156 100 L 4.8060 9.0720 126.5367 53.3514 45.1336 175.3346 101 L 5.6571 8.6643 128.1195 52.6089 41.5316 175.5841 102 T 4.3079 8.3376 121.1119 63.2425 70.0281 172.4403 103 L 4.8788 9.0515 127.1950 53.0884 44.7894 175.3098 104 A 4.6783 8.5208 127.2334 49.9832 21.6549 174.7170 105 A 5.0050 8.1540 123.1073 50.4304 21.9043 176.5899 106 T 3.9998 8.8349 111.0639 63.8959 69.5980 174.9134 107 D 4.8370 7.8578 121.5943 50.9137 41.7522 173.6018 108 P 4.2677 0.0000 0.0000 65.6998 31.7781 178.6241 109 S 4.3332 8.0520 109.1912 59.9355 62.9285 174.9181 110 I 4.1615 7.6533 120.0738 64.5203 37.8745 177.4157 111 H 4.4291 8.2193 116.9441 58.4393 28.2451 178.1063 112 T 3.8730 7.5955 110.9966 65.1383 69.0504 176.2355 113 T 4.0294 7.9412 118.7711 66.1993 68.3024 176.2024 114 V 3.6315 7.6046 118.2292 66.3016 31.6858 177.7640 115 A 4.3158 8.2063 119.8711 54.9640 18.1825 179.6687 116 I 3.7832 7.7648 118.4717 63.9048 37.0693 176.6018 117 P 4.4369 0.0000 0.0000 65.6940 31.1040 178.6102 118 Q 3.9323 7.9250 116.9413 58.9824 28.6563 178.7395 119 I 3.7286 7.7183 120.3017 64.3875 37.0699 178.4996 120 V 3.4549 7.8791 118.6284 65.8326 31.1056 177.4966 121 A 3.9460 8.1379 119.6559 55.3009 18.2866 179.0890 122 L 4.3846 7.8148 119.7195 57.8318 41.9896 178.5600 123 F 4.5045 7.7834 113.8934 58.0417 38.9051 176.3468 124 E 4.3784 7.6259 117.8748 56.1083 30.6718 176.4773 125 L 3.9835 6.8730 119.6205 54.8064 42.3065 176.8368 126 D 4.3434 8.6228 121.5054 56.1754 41.3686 176.3154 127 N 4.3648 9.1899 119.0813 53.2843 36.6186 176.7534 128 A 3.9293 8.1689 120.4101 55.6416 18.6706 179.1205 129 I 3.7245 7.9133 117.7492 64.6284 36.9835 177.9148 130 E 3.9723 8.2421 118.3944 60.0478 29.1859 179.4698 131 R 3.9586 7.9843 116.2968 59.3218 30.4622 178.4413 132 L 4.0436 8.4458 118.6394 58.2388 41.5768 179.7108 133 V 3.5921 7.9035 116.7828 66.2433 31.5517 177.3063 134 A 4.3702 7.7895 116.3626 51.5372 18.9145 177.1756 135 C 4.1791 7.4457 116.8946 60.0447 28.1431 173.3979 136 Q 4.2125 8.1271 124.8211 58.2137 29.3606 176.5661 137 S 4.3588 7.5565 113.6391 57.9538 64.0437 173.8854 138 P 4.5125 0.0000 0.0000 64.1547 31.1402 178.9686 139 K 3.8972 7.9181 119.2231 59.6707 32.0851 178.1434 140 E 3.9556 7.5090 115.9578 59.4099 29.4000 179.4433 141 V 3.7078 7.6293 116.9998 65.8271 32.0611 177.4380 142 L 4.2834 7.7047 117.1474 56.8456 40.5956 177.1312 143 E 4.3961 7.8863 119.9883 57.0512 29.7682 178.6570 *145 V 3.8273 7.7366 120.1834 62.9742 33.6449 176.6449 146 E 3.7872 8.2510 120.2020 59.4983 29.4385 178.3985 147 E 3.8864 8.3298 119.0179 59.6232 29.6237 178.8092 148 S 4.0677 7.5397 114.6888 61.9124 62.6321 177.0588 149 K 4.0540 7.8319 119.8156 58.7432 31.7750 177.4208 150 D 4.6629 7.5795 117.0873 54.2553 41.1805 176.2559 151 S 4.3801 8.0988 116.4159 57.1921 62.7938 173.3467 152 P 4.5872 0.0000 0.0000 64.9941 31.3200 177.8398 153 Y 3.8488 7.7876 115.7099 60.0221 37.7893 176.9557 154 L 4.5790 8.4767 117.8791 54.0854 42.6890 176.0599 155 E 4.1939 7.9410 125.4317 56.2945 31.2641 174.3795 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 0 A 8.26 4.18 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 *2 N 8.34 4.47 0.00 2.86 2.77 0.00 0.00 6.78 6.66 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 3 L 8.66 3.65 0.00 1.40 1.52 0.24 -0.03 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 4 K 7.91 3.80 0.00 1.78 1.77 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 5 Q 8.13 3.94 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 6 A 8.54 4.01 1.68 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 7 L 8.23 4.08 0.00 1.86 1.75 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.78 3.77 1.99 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 1.52 0.83 0.92 0.00 0.00 9 D 8.77 4.46 0.00 2.71 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 10 N 7.78 4.86 0.00 2.79 2.86 0.00 0.00 7.16 9.10 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 11 N 7.78 4.17 0.00 2.84 2.84 0.00 0.00 6.80 7.60 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 12 S 7.87 4.81 0.00 3.90 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 13 I 7.79 4.57 1.88 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 1.36 0.57 0.92 0.00 0.00 14 R 9.30 4.71 0.00 1.66 1.78 0.00 3.24 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 1.55 1.74 0.00 15 L 8.56 4.84 0.00 1.57 1.56 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.44 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 17 L 7.16 4.40 0.00 1.77 1.64 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.12 4.85 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 19 A 8.36 4.71 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 D 8.75 4.78 0.00 2.66 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 21 T 7.40 4.66 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 1.06 0.00 0.00 22 W 8.19 3.83 0.00 1.78 2.50 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 23 Q 6.64 3.67 0.00 1.68 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 24 E 7.75 3.90 0.00 2.02 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 2.27 2.25 0.00 25 A 8.10 4.05 1.52 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 0.00 0.00 26 V 8.43 3.69 2.38 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 1.22 0.00 0.00 1.49 0.00 0.00 27 R 8.09 3.22 0.00 1.82 1.84 0.00 2.95 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 28 L 7.81 3.93 0.00 1.83 1.71 0.91 0.55 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 29 A 8.15 4.17 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 30 V 8.69 3.87 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 1.00 0.00 0.00 1.05 0.00 0.00 31 Q 8.21 3.89 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 32 P 0.00 4.45 0.00 2.10 2.13 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 33 L 8.39 4.43 0.00 1.91 1.73 0.99 0.81 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 34 I 7.43 4.04 1.99 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 1.71 1.40 0.93 0.00 0.00 35 D 8.13 4.51 0.00 2.75 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 36 S 8.39 4.54 0.00 4.10 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 37 K 8.06 3.91 0.00 1.96 1.95 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 38 A 7.57 4.09 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 39 V 7.93 5.02 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 0.92 0.00 0.00 1.05 0.00 0.00 40 T 8.09 4.75 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 41 S 8.77 4.54 0.00 4.27 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 42 A 8.03 4.01 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 43 Y 8.56 4.17 0.00 3.01 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 44 Y 8.32 4.21 0.00 3.08 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 45 D 8.26 3.82 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.22 3.96 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 47 I 7.63 3.57 1.84 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.16 0.81 0.00 0.00 48 I 7.49 4.01 1.72 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 1.47 0.44 0.92 0.00 0.00 49 A 7.74 4.02 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 50 S 8.39 4.21 0.00 4.36 4.35 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 51 T 8.77 4.31 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 52 E 8.56 4.12 0.00 2.21 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 2.48 2.63 0.00 53 K 7.95 3.93 0.00 1.51 1.38 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.07 7.81 54 Y 8.14 4.78 0.00 3.21 2.91 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 55 G 8.25 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 56 P 0.00 3.86 0.00 1.56 1.80 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 57 Y 7.42 4.09 0.00 3.04 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 58 Y 5.98 4.32 0.00 2.92 2.74 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 59 V 6.78 3.67 1.66 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 0.52 0.00 0.00 0.03 0.00 0.00 60 L 7.98 3.96 0.00 1.49 1.60 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *62 P 0.00 4.00 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 63 G 8.72 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 A 7.57 4.20 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 *67 P 0.00 2.97 0.00 1.98 1.72 0.00 3.74 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 2.01 2.02 0.00 68 H 7.74 5.05 0.00 3.21 3.27 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.60 4.58 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 70 E 8.89 4.19 0.00 2.13 2.01 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 2.42 2.42 0.00 71 A 8.00 3.89 1.51 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 72 G 7.37 3.77 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 0.00 0.00 0.00 73 L 8.83 4.46 0.00 1.67 1.74 0.94 0.84 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 74 G 8.17 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 75 V 7.15 4.04 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 0.62 0.00 0.00 0.35 0.00 0.00 76 N 8.45 4.66 0.00 2.85 2.82 0.00 0.00 6.86 7.34 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 77 R 7.12 4.56 0.00 1.85 1.71 0.00 3.18 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 78 N 8.49 4.73 0.00 2.49 2.53 0.00 0.00 6.71 7.35 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 79 A 8.49 4.59 1.18 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 80 F 8.82 5.50 0.00 2.95 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 81 A 8.79 4.93 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 82 L 8.59 5.05 0.00 1.83 1.52 1.00 1.04 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 83 I 8.92 5.81 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.95 0.00 0.00 84 T 8.41 4.88 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 1.31 0.00 0.00 85 L 8.84 5.03 0.00 1.65 1.75 1.06 0.92 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 86 T 8.47 4.23 4.40 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 1.22 0.00 0.00 87 K 7.67 4.26 0.00 1.68 1.66 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 88 P 0.00 4.76 0.00 2.28 2.14 0.00 3.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 89 V 8.59 3.76 2.22 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 1.07 0.00 0.00 1.02 0.00 0.00 90 T 8.49 5.00 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 91 F 9.04 4.38 0.00 2.87 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 92 S 8.01 4.58 0.00 3.95 3.98 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 93 D 9.30 4.40 0.00 2.71 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 94 G 8.60 3.98 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 0.00 0.00 0.00 95 K 7.54 4.26 0.00 1.71 1.66 0.00 1.95 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.53 7.81 96 E 8.78 4.75 0.00 1.91 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 0.00 2.59 2.27 0.00 97 V 9.05 4.53 2.40 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 1.04 0.00 0.00 0.66 0.00 0.00 98 S 8.88 4.71 0.00 3.82 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 99 V 7.91 4.93 2.20 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 1.00 0.00 0.00 1.06 0.00 0.00 100 L 9.07 4.81 0.00 1.71 1.61 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.66 5.66 0.00 1.81 1.73 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.34 4.31 4.34 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 1.36 0.00 0.00 103 L 9.05 4.88 0.00 1.64 1.57 0.47 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.52 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.15 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.83 4.00 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 1.15 0.00 0.00 107 D 7.86 4.84 0.00 2.58 2.55 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 0.00 0.00 0.00 0.00 108 P 0.00 4.27 0.00 2.23 2.23 0.00 3.63 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 2.24 2.29 0.00 109 S 8.05 4.33 0.00 3.82 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 0.00 110 I 7.65 4.16 1.87 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 1.59 0.71 0.79 0.00 0.00 111 H 8.22 4.43 0.00 3.17 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.60 3.87 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 1.02 0.00 0.00 113 T 7.94 4.03 4.38 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 1.24 0.00 0.00 114 V 7.60 3.63 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 0.89 0.00 0.00 1.02 0.00 0.00 115 A 8.21 4.32 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.76 3.78 2.21 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 1.56 0.90 0.99 0.00 0.00 117 P 0.00 4.44 0.00 2.27 2.49 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 118 Q 7.93 3.93 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 119 I 7.72 3.73 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 1.02 0.00 0.00 120 V 7.88 3.45 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 -0.21 0.00 0.00 0.79 0.00 0.00 121 A 8.14 3.95 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 0.00 122 L 7.81 4.38 0.00 1.49 1.48 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.78 4.50 0.00 3.06 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 0.00 124 E 7.63 4.38 0.00 2.04 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 0.00 2.43 2.31 0.00 125 L 6.87 3.98 0.00 1.53 1.63 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.62 4.34 0.00 2.64 2.62 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 0.00 0.00 0.00 0.00 127 N 9.19 4.36 0.00 2.89 2.88 0.00 0.00 7.50 7.28 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 0.00 128 A 8.17 3.93 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 0.00 129 I 7.91 3.72 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.72 0.96 0.00 0.00 130 E 8.24 3.97 0.00 2.06 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 2.42 2.51 0.00 131 R 7.98 3.96 0.00 2.05 1.96 0.00 3.17 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 1.66 1.79 0.00 132 L 8.45 4.04 0.00 1.99 1.79 0.86 0.75 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 0.00 133 V 7.90 3.59 2.27 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 0.83 0.00 0.00 1.04 0.00 0.00 134 A 7.79 4.37 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 0.00 135 C 7.45 4.18 0.00 3.28 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 0.00 136 Q 8.13 4.21 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 137 S 7.56 4.36 0.00 3.88 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 0.00 138 P 0.00 4.51 0.00 2.16 2.09 0.00 3.60 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 2.11 2.14 0.00 139 K 7.92 3.90 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 140 E 7.51 3.96 0.00 2.01 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 2.34 2.58 0.00 141 V 7.63 3.71 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 0.86 0.00 0.00 0.92 0.00 0.00 142 L 7.70 4.28 0.00 1.90 1.87 0.91 0.97 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 0.00 143 E 7.89 4.40 0.00 2.22 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 2.31 2.52 0.00 *145 V 7.74 3.83 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 0.89 0.00 0.00 0.86 0.00 0.00 146 E 8.25 3.79 0.00 2.22 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 2.29 2.36 0.00 147 E 8.33 3.89 0.00 2.16 1.89 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 2.28 2.34 0.00 148 S 7.54 4.07 0.00 3.96 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 0.00 149 K 7.83 4.05 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.76 7.81 150 D 7.58 4.66 0.00 2.70 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 0.00 151 S 8.10 4.38 0.00 3.90 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 0.00 152 P 0.00 4.59 0.00 2.24 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 153 Y 7.79 3.85 0.00 2.94 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 0.00 154 L 8.48 4.58 0.00 1.74 1.68 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.94 4.19 0.00 1.97 2.27 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 2.16 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.