NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4917 8.2893 120.3305 55.3732 33.6182 174.8313 2 S 4.6056 7.9952 116.3428 54.1418 67.7454 173.6773 3 T 4.0362 8.5283 113.0773 65.1979 68.7422 177.6531 4 T 3.8280 7.7969 115.5582 64.8025 67.3663 176.2453 5 I 3.3940 7.8804 122.0442 64.2081 37.0830 178.0337 6 E 3.8482 8.0911 119.3894 59.2603 29.2814 179.3951 7 K 3.8189 8.0015 119.4404 59.6139 32.2589 178.7687 8 I 3.5929 7.7521 120.2219 64.5613 36.9186 178.4152 9 Q 3.7894 8.0827 119.1146 58.7796 28.3888 178.8901 10 R 3.8172 7.8786 119.7275 59.4127 30.2349 178.5549 11 Q 3.9038 7.8981 117.7862 59.1811 28.5252 179.0534 12 I 3.6632 7.5795 119.2444 64.2117 37.1488 178.1104 13 A 4.1362 7.9901 120.8584 54.5687 18.3436 178.7958 14 E 4.4654 8.2756 115.6852 56.3824 29.9172 176.1343 15 N 4.7788 7.7640 116.0384 50.3222 39.9920 173.0063 16 P 3.9623 0.0000 0.0000 64.6190 32.8473 175.8677 17 I 4.9047 7.5938 120.8303 59.4656 40.7058 174.2708 18 L 5.0904 9.1012 129.3334 53.2041 45.7860 174.5215 19 L 5.2474 9.0421 128.5828 53.5506 44.5960 174.5866 20 Y 5.0401 9.3123 125.7432 57.7761 39.4010 174.8289 21 M 5.3558 9.3290 120.8017 54.2053 35.9824 173.5347 22 K 4.4192 9.4056 119.2812 56.6602 33.5229 178.0032 23 G 3.7862 9.2537 114.7466 44.6651 0.0000 171.6619 24 S 4.3861 7.7973 112.2859 55.1901 65.8378 173.1626 25 P 4.2041 0.0000 0.0000 65.6145 31.1023 178.3498 26 K 4.1508 7.7085 116.0865 58.3984 32.7640 177.0946 27 L 4.6653 7.5285 120.2227 52.3801 42.0751 173.3389 28 P 4.7713 0.0000 0.0000 62.5939 32.3660 177.4405 29 S 4.6718 8.5022 115.1792 58.4461 63.6105 174.4208 30 C 4.6916 7.5584 119.0280 57.0580 35.1775 174.4441 31 G 3.5750 8.5291 114.3358 47.9917 0.0000 175.8107 32 F 4.5025 7.5908 119.3575 60.7111 38.9879 177.8055 33 S 4.2530 8.2363 114.0974 61.3422 62.7805 176.2467 34 A 3.9783 8.3676 123.9016 55.3496 18.1566 179.6070 35 Q 3.9018 8.4197 116.5128 59.1575 28.7628 179.1158 36 A 3.9552 7.9112 121.2710 55.3595 18.3647 180.1760 37 V 3.3635 7.9492 110.9361 64.1224 31.5118 178.6899 38 Q 3.8015 8.1168 119.2433 59.1272 28.7473 178.1080 39 A 3.1419 7.3628 120.2460 54.6779 18.6102 179.1330 40 L 3.8530 7.8752 118.6462 58.2710 42.2089 179.0075 41 A 4.0090 7.9319 120.8310 55.1087 18.1124 179.2566 42 A 4.1051 7.8441 117.8571 54.8080 18.4593 179.0855 43 C 4.4331 8.0305 114.6348 60.6992 28.1803 174.6814 44 G 3.9651 8.1330 108.1051 45.7863 0.0000 172.8645 45 E 4.8278 7.8593 116.9447 53.4548 32.7856 175.9049 46 R 4.0831 8.5267 121.3028 56.7005 30.6977 175.7281 47 F 5.1795 8.0853 118.1366 55.2267 41.3007 173.5433 48 A 4.8319 9.0002 122.2194 50.7233 21.4297 175.5037 49 Y 5.3345 8.0886 116.5231 55.2247 41.8034 174.7268 50 V 4.0995 8.4467 119.7706 61.1128 34.4869 174.2333 51 D 5.1315 8.8148 127.9403 53.0580 40.4441 176.4828 52 I 3.8901 8.5411 121.4713 62.4710 37.7426 177.6945 53 L 4.2395 8.3310 120.7421 56.1443 41.6981 177.2703 54 Q 4.6457 8.0531 116.7762 55.6693 29.5711 176.2715 55 N 5.0170 7.6798 116.5760 49.9115 39.6942 173.1099 56 P 4.2797 0.0000 0.0000 65.1855 31.8000 177.6962 57 D 4.3364 8.0107 117.7227 56.6145 39.3036 178.6543 58 I 3.6801 7.6520 121.0876 63.8587 36.9851 177.9749 59 R 3.8760 7.9110 118.2848 59.5846 29.8528 178.1162 60 A 4.1952 7.9359 119.4227 54.9445 18.8291 178.7407 61 E 4.3559 8.2444 116.2078 58.0028 30.2193 178.5054 62 L 4.0592 8.3161 121.0800 57.5148 42.1126 177.1143 63 P 4.9733 0.0000 0.0000 65.1092 31.2130 178.6893 64 K 4.0327 8.0672 116.6928 59.5954 31.8222 178.6511 65 Y 4.0692 7.8187 118.1507 60.6007 38.8671 177.5007 66 A 4.4145 8.8164 119.7855 52.2587 19.3369 176.6146 67 N 4.0801 7.7100 114.0834 53.0064 36.9302 175.5119 68 W 4.4870 8.1593 127.4472 56.0364 32.9679 172.8224 69 P 4.3258 0.0000 0.0000 64.3943 31.1533 175.8366 70 T 4.4931 7.2364 107.5721 59.6841 71.9077 172.6129 71 F 5.0902 8.3333 119.7950 54.9627 41.9874 173.8288 72 P 5.2353 0.0000 0.0000 62.8186 33.5058 174.7200 73 Q 4.9078 9.4709 118.8674 54.1417 32.4953 174.1922 74 L 5.0373 8.6167 126.7660 53.4750 44.0802 174.8897 75 W 5.1062 9.4799 126.8462 54.8835 32.0817 174.9972 76 V 4.7954 8.7042 124.4903 61.2857 33.9707 175.0114 77 D 4.2853 10.3424 129.6614 55.4796 39.9638 174.4090 78 G 4.1353 8.7053 104.2074 45.2471 0.0000 173.1889 79 E 4.6368 8.0219 120.9168 53.7486 31.7150 174.6141 80 L 3.1556 7.5311 127.5505 54.0921 42.2607 176.6814 81 V 3.4742 8.3240 127.5456 64.9261 32.3164 176.4183 82 G 2.7706 6.3165 106.5525 45.0708 0.0000 169.5264 83 G 4.8154 7.7424 111.2240 44.8536 0.0000 173.8012 84 C 4.0917 8.9499 118.5241 62.8246 31.7370 175.9622 85 D 4.4028 8.1230 119.7701 57.5261 40.3892 178.8467 86 I 3.6954 7.7405 119.4769 64.4175 37.2341 178.3908 87 V 3.5815 7.7961 119.1937 66.0997 31.3522 178.1247 88 I 3.8181 8.1170 113.1096 63.7397 37.4595 177.6769 89 E 3.9100 8.3085 121.0916 59.5377 29.5345 178.6128 90 M 4.0306 8.3527 118.9298 58.6683 31.9891 178.2266 91 Y 4.1990 8.2304 119.4679 60.8681 38.7877 177.9028 92 Q 4.0393 8.4821 118.1649 59.0716 28.9700 178.6511 93 R 4.1942 8.0467 116.4012 56.4578 30.5455 177.7046 94 G 4.1590 7.9327 107.9437 45.0977 0.0000 175.0754 95 E 4.0570 8.1905 121.0376 58.6221 29.5042 178.2320 96 L 3.9330 7.7401 120.1110 58.2548 42.3756 178.5500 97 Q 4.0265 8.1475 117.4484 59.2956 28.5525 179.2269 98 Q 3.9525 7.7173 117.2888 58.7986 28.8211 178.1429 99 L 3.9441 8.0579 121.5304 58.4751 41.9866 179.2566 100 I 3.7726 8.0662 119.7458 64.0772 37.0570 178.1865 101 K 3.9089 8.2677 120.6862 59.8033 32.0271 178.6975 102 E 4.0136 8.4324 118.8180 59.5337 29.0643 179.4231 103 T 3.9759 8.1865 115.6520 66.7812 68.3798 176.4424 104 A 4.1109 8.1731 121.1672 55.2090 18.1610 179.2359 105 A 4.0946 8.1335 119.3616 55.1617 18.2324 179.7917 106 K 3.8187 8.1686 117.3046 58.8561 32.2788 177.6078 107 Y 4.4727 7.2770 113.7728 56.3448 38.7819 175.6750 108 K 4.2248 7.3377 122.2053 56.1615 32.7541 174.6113 109 S 4.5237 8.1081 117.7683 59.1151 65.0640 174.2382 110 E 4.2486 8.3525 118.2883 55.3774 30.9890 176.6460 111 E 4.7640 8.2495 118.9143 53.7041 33.2792 174.1706 112 P 4.4446 0.0000 0.0000 62.8983 32.3619 176.7536 113 D 4.2714 8.4324 117.6049 54.3759 40.6277 177.1204 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 M 8.29 4.49 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 S 8.00 4.61 0.00 4.04 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 3 T 8.53 4.04 4.21 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 1.19 0.00 0.00 4 T 7.80 3.83 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 1.19 0.00 0.00 5 I 7.88 3.39 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.68 0.00 0.00 6 E 8.09 3.85 0.00 2.14 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 2.29 2.51 0.00 7 K 8.00 3.82 0.00 1.76 1.88 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 8 I 7.75 3.59 1.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.40 0.47 0.00 0.00 9 Q 8.08 3.79 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 10 R 7.88 3.82 0.00 1.94 2.04 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 11 Q 7.90 3.90 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 12 I 7.58 3.66 1.73 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.25 0.84 0.00 0.00 13 A 7.99 4.14 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 14 E 8.28 4.47 0.00 1.98 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 2.40 0.00 15 N 7.76 4.78 0.00 2.77 2.66 0.00 0.00 6.58 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 16 P 0.00 3.96 0.00 1.93 1.42 0.00 3.49 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.00 17 I 7.59 4.90 1.98 0.00 0.00 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 1.18 0.76 1.01 0.00 0.00 18 L 9.10 5.09 0.00 1.85 1.54 0.64 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.04 5.25 0.00 1.84 1.68 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.31 5.04 0.00 3.35 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 21 M 9.33 5.36 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 22 K 9.41 4.42 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.41 1.51 7.81 23 G 9.25 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 0.00 0.00 0.00 24 S 7.80 4.39 0.00 3.49 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 25 P 0.00 4.20 0.00 1.91 2.31 0.00 2.41 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.04 0.00 26 K 7.71 4.15 0.00 1.68 1.83 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 27 L 7.53 4.67 0.00 1.66 1.44 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.77 0.00 2.21 2.03 0.00 3.75 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 1.96 1.96 0.00 29 S 8.50 4.67 0.00 3.78 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 30 C 7.56 4.69 0.00 2.98 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 31 G 8.53 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 32 F 7.59 4.50 0.00 3.15 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 33 S 8.24 4.25 0.00 4.09 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 34 A 8.37 3.98 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 35 Q 8.42 3.90 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 36 A 7.91 3.96 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 37 V 7.95 3.36 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 0.85 0.00 0.00 1.01 0.00 0.00 38 Q 8.12 3.80 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 39 A 7.36 3.14 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 40 L 7.88 3.85 0.00 1.55 1.34 0.80 0.56 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 41 A 7.93 4.01 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 42 A 7.84 4.11 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 43 C 8.03 4.43 0.00 3.18 3.07 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 44 G 8.13 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.86 4.83 0.00 2.02 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 2.25 2.25 0.00 46 R 8.53 4.08 0.00 1.79 1.87 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 47 F 8.09 5.18 0.00 3.04 2.94 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 48 A 9.00 4.83 1.16 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 0.00 0.00 49 Y 8.09 5.33 0.00 3.06 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 50 V 8.45 4.10 1.85 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 1.10 0.00 0.00 0.59 0.00 0.00 51 D 8.81 5.13 0.00 3.04 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 I 8.54 3.89 1.40 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.63 0.78 0.00 0.00 53 L 8.33 4.24 0.00 1.80 1.76 0.94 1.07 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 54 Q 8.05 4.65 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.18 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 55 N 7.68 5.02 0.00 2.62 2.79 0.00 0.00 7.01 7.96 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 56 P 0.00 4.28 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.84 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 57 D 8.01 4.34 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 58 I 7.65 3.68 2.00 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 1.50 0.68 0.88 0.00 0.00 59 R 7.91 3.88 0.00 1.89 2.13 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 60 A 7.94 4.20 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 61 E 8.24 4.36 0.00 2.10 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 2.40 2.44 0.00 62 L 8.32 4.06 0.00 1.68 1.94 0.83 0.41 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 63 P 0.00 4.97 0.00 2.22 2.03 0.00 3.98 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 64 K 8.07 4.03 0.00 1.87 1.92 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.53 7.81 65 Y 7.82 4.07 0.00 2.96 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 66 A 8.82 4.41 1.76 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 0.00 0.00 67 N 7.71 4.08 0.00 2.82 2.91 0.00 0.00 6.68 7.52 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 68 W 8.16 4.49 0.00 3.39 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 69 P 0.00 4.33 0.00 2.03 1.98 0.00 2.84 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 70 T 7.24 4.49 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 1.03 0.00 0.00 71 F 8.33 5.09 0.00 3.23 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 72 P 0.00 5.24 0.00 2.26 2.36 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 73 Q 9.47 4.91 0.00 2.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.53 0.00 74 L 8.62 5.04 0.00 1.75 1.42 1.00 0.71 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 75 W 9.48 5.11 0.00 3.37 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 76 V 8.70 4.80 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 1.00 0.00 0.00 0.95 0.00 0.00 77 D 10.34 4.29 0.00 2.90 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 78 G 8.71 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 79 E 8.02 4.64 0.00 2.04 1.94 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 2.04 2.12 0.00 80 L 7.53 3.16 0.00 0.27 0.68 -0.08 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.32 3.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.83 0.00 0.00 82 G 6.32 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 0.00 0.00 0.00 83 G 7.74 4.82 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 0.00 84 C 8.95 4.09 0.00 3.26 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.12 4.40 0.00 2.76 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 86 I 7.74 3.70 1.83 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 1.56 0.81 0.91 0.00 0.00 87 V 7.80 3.58 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 1.01 0.00 0.00 0.89 0.00 0.00 88 I 8.12 3.82 1.91 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 1.45 1.03 0.91 0.00 0.00 89 E 8.31 3.91 0.00 2.18 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 2.33 2.52 0.00 90 M 8.35 4.03 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 91 Y 8.23 4.20 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.48 4.04 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 93 R 8.05 4.19 0.00 1.76 1.95 0.00 3.13 0.00 0.00 3.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 94 G 7.93 4.16 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 0.00 0.00 0.00 95 E 8.19 4.06 0.00 2.09 1.93 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 2.29 2.34 0.00 96 L 7.74 3.93 0.00 1.85 1.77 0.92 1.12 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 97 Q 8.15 4.03 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 98 Q 7.72 3.95 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 99 L 8.06 3.94 0.00 1.75 1.82 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.07 3.77 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.97 0.00 0.00 101 K 8.27 3.91 0.00 1.89 2.02 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 102 E 8.43 4.01 0.00 2.15 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 2.33 2.36 0.00 103 T 8.19 3.98 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 1.39 0.00 0.00 104 A 8.17 4.11 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 0.00 105 A 8.13 4.09 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 0.00 106 K 8.17 3.82 0.00 1.66 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.41 1.14 7.81 107 Y 7.28 4.47 0.00 3.05 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 0.00 108 K 7.34 4.22 0.00 1.95 1.73 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.52 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.44 7.81 109 S 8.11 4.52 0.00 3.97 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 0.00 110 E 8.35 4.25 0.00 2.10 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 2.29 2.28 0.00 111 E 8.25 4.76 0.00 1.93 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 0.00 2.21 2.21 0.00 112 P 0.00 4.44 0.00 2.18 2.05 0.00 3.90 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 1.99 1.97 0.00 113 D 8.43 4.27 0.00 2.76 2.48 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 0.00