NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.7512 8.0549 120.5021 62.4871 32.6065 174.2897 3 Q 4.4829 8.6464 126.6242 53.5063 31.5595 172.9567 4 L 5.0996 8.6154 122.9558 52.8794 45.8680 174.7969 5 Q 4.6821 8.7025 123.7838 54.4425 31.9016 173.9688 6 E 5.2921 9.0032 126.1155 55.9316 31.3054 175.4363 7 S 4.6150 9.4839 116.5356 57.4910 67.0592 174.6927 8 G 4.0574 9.1950 107.3143 45.1091 0.0000 174.0467 9 G 3.9519 7.3782 107.7526 44.0358 0.0000 173.7551 10 G 3.8915 6.9696 103.9960 45.7377 0.0000 170.6324 11 L 5.2964 8.2497 122.2927 52.3763 44.6220 177.5238 12 V 4.7507 8.6596 118.6237 59.4855 36.7570 174.7744 13 Q 4.8705 8.7810 119.3312 54.4381 30.4271 175.2502 14 A 4.3089 8.3268 123.9445 54.4614 18.8481 177.4005 15 G 4.0346 9.3098 110.1917 45.4030 0.0000 174.2210 16 G 4.0119 7.9244 106.7826 45.8576 0.0000 172.6339 17 S 5.9393 8.3445 113.6537 55.7419 67.3015 173.4178 18 L 4.7869 8.0376 120.1984 53.2783 46.8248 175.3916 19 R 4.7083 8.1304 119.2652 54.9928 32.4149 174.1690 20 L 4.6272 8.5269 127.4145 54.1735 43.4108 176.2501 21 S 5.3572 9.2633 118.1430 56.9786 67.1025 172.4614 22 C 5.3501 9.5104 122.8929 54.9931 42.5828 172.2532 23 A 5.0728 8.8715 128.8257 50.3259 20.5678 175.5211 24 A 4.7079 8.3058 125.0332 51.2844 20.2543 176.2738 25 S 4.4564 8.8356 115.1879 56.1873 67.1231 175.7121 26 G 3.9360 8.9771 111.5520 45.2733 0.0000 176.9232 27 A 4.2830 8.2028 125.5556 50.8236 16.7832 178.3545 28 T 4.0973 7.4909 108.5546 61.2845 69.8882 177.0132 29 G 3.6910 7.8866 110.7368 47.1589 0.0000 173.7674 30 S 4.6267 7.2097 115.1514 56.8834 65.1788 173.4310 31 T 4.1294 7.7046 119.1209 62.0211 69.7433 174.0035 32 Y 4.9168 7.4839 122.7150 55.8582 42.0610 174.9614 33 D 5.0822 8.8570 122.0634 54.9856 42.3490 175.4288 34 M 5.5965 9.1070 119.7381 54.0832 36.5894 174.6559 35 G 4.6946 9.1485 107.3392 45.0247 0.0000 171.3892 36 W 5.5559 9.4485 120.3844 54.8825 32.2133 175.2112 37 F 5.5873 9.8868 121.5029 55.9765 43.3860 173.8702 38 R 5.0354 9.2172 116.2673 55.0081 33.5135 174.0253 39 Q 4.7233 8.7336 121.0699 55.0627 32.6556 173.6463 40 A 4.8177 8.6166 128.1675 49.9783 21.1348 174.6219 41 P 4.3056 0.0000 0.0000 64.1049 31.7760 177.3329 42 G 3.9519 9.0540 110.1509 45.5822 0.0000 172.9195 43 K 4.7058 7.6520 117.1851 53.9845 36.0011 176.0572 44 E 4.1531 8.4741 120.1422 55.8419 30.1487 177.2250 45 R 4.2561 8.3275 122.7210 56.4332 30.9617 175.4025 46 E 5.0319 9.1998 121.8840 54.3866 33.3847 175.1466 47 S 4.2794 8.9644 116.9892 59.2210 63.5150 173.3316 48 V 4.3976 8.6277 122.4584 63.7900 33.4216 175.0361 49 A 4.9717 7.6960 118.8769 51.4112 22.5010 174.1770 50 A 5.1426 8.7166 120.2384 50.8708 23.6804 175.1624 51 I 4.9958 8.8658 118.9511 59.2064 41.7281 173.8178 52 N 4.9192 9.3549 129.1875 52.9708 38.9950 175.5261 52A W 4.0026 9.6942 135.0000 60.1293 31.1638 177.3995 53 G 3.8512 8.4378 106.6033 47.3068 0.0000 174.3060 54 S 4.3648 8.2454 112.0861 57.1491 63.9917 174.4433 55 A 3.6550 8.0325 122.4351 52.7408 16.7412 177.4547 56 G 3.7946 7.7450 105.2649 47.3624 0.0000 173.5842 57 T 5.0813 7.9814 111.7060 59.7934 72.1478 172.8597 58 Y 4.9138 8.5072 118.7204 56.6734 42.3906 174.1224 59 Y 5.2529 8.7003 119.7328 55.8631 42.1892 175.0917 60 A 4.1318 9.4329 126.3595 51.9888 19.3103 178.3137 61 S 4.0716 9.1902 116.7217 61.5507 62.4705 176.5748 62 S 4.1977 8.0043 112.4862 59.9380 63.4567 174.8566 63 V 3.7415 7.4828 113.1482 60.9523 32.3337 176.0880 64 R 3.9606 7.1634 119.6015 57.5815 30.1966 177.2000 65 G 3.9929 9.0935 110.5702 45.1575 0.0000 173.8759 66 R 4.5312 7.7381 115.7292 57.2786 33.6263 175.4563 67 F 5.6154 8.3131 115.5965 56.6863 41.1676 176.0308 68 T 4.9506 8.9099 117.4481 62.1833 72.3842 172.7772 69 I 4.9991 9.1524 127.9294 60.1297 39.5418 174.6192 70 S 4.9372 8.9301 122.1007 57.6275 67.0737 172.2966 71 R 5.2773 8.3286 115.3325 55.0797 33.0527 174.0175 72 D 4.7000 9.2143 118.3579 52.8274 43.9325 175.7997 73 N 4.6492 9.1699 124.0186 56.5904 38.9874 177.4725 74 A 4.0938 8.1589 119.2195 55.0867 18.5214 178.5382 75 K 4.1786 8.4526 113.2522 56.6562 33.0757 176.8576 76 K 4.0310 7.9816 118.0249 57.9073 30.2203 174.6373 77 T 5.2018 8.1474 113.3333 61.7021 73.2628 174.8215 78 V 4.9592 8.4658 124.1899 60.2214 34.6313 174.1777 79 Y 5.5037 9.3134 120.4701 56.3092 42.0112 174.7359 80 L 4.6563 8.6608 123.2913 53.2178 44.9227 174.9793 81 Q 4.2822 8.9580 129.3989 55.7879 30.5561 174.3678 82 M 4.4305 8.8504 126.7696 53.7594 34.1700 174.7608 82A N 5.1188 8.8300 120.9044 50.1309 41.6795 174.8762 82B S 3.7168 8.4725 113.5538 59.6451 60.6972 173.4209 82C L 4.4564 8.0011 119.7142 54.8669 42.6058 177.3143 83 K 4.9603 9.0904 121.4459 53.7012 35.5005 175.4497 84 P 4.6667 0.0000 0.0000 65.1038 31.3032 178.3063 85 E 4.2106 8.1042 113.3912 58.1589 29.6098 177.1318 86 D 4.7445 8.3085 119.3259 55.8679 41.3241 176.6927 87 T 4.3591 8.0383 117.0660 63.9572 68.8411 173.5752 88 A 4.3551 8.6271 127.6062 51.6434 23.8542 174.9939 89 V 4.4120 7.9190 119.8909 62.7682 33.0511 174.3547 90 Y 5.3450 9.3886 126.5959 56.7363 39.8710 174.8410 91 T 5.4009 9.4838 114.5744 60.1444 72.4642 171.9951 92 C 4.7661 9.5331 124.2065 55.1743 46.9298 172.5770 93 G 3.8785 8.9470 111.6937 44.0537 0.0000 171.2325 94 A 5.2900 8.0821 123.0500 49.9931 22.7252 176.1012 95 G 4.2798 8.1799 105.0853 47.1134 0.0000 172.0267 96 R 5.3291 8.9538 121.0744 54.1204 32.7591 175.5173 97 I 3.3658 8.9571 125.4405 60.6487 37.6681 176.1458 98I E 4.0278 9.3776 123.4947 59.4681 29.2166 179.4865 98J S 4.2091 8.1711 112.9526 60.3144 62.9577 175.3837 99 W 4.2530 8.1695 118.1531 58.5673 28.2086 176.0840 100 V 2.9501 6.5816 119.9355 62.7148 31.2397 175.1847 101 T 3.7753 7.9019 123.9303 64.3862 69.5973 175.2244 102 W 4.7702 7.2619 120.0228 54.4198 32.3190 174.8147 103 W 5.1084 8.7716 122.7451 54.8224 31.8523 175.7687 104 G 4.1373 8.9003 111.7614 45.3029 0.0000 173.5370 105 Q 4.1702 8.8041 116.9778 56.9039 29.1777 176.5600 106 G 4.1360 9.6516 103.4958 45.1291 0.0000 172.1482 107 T 4.7687 8.7748 112.3446 60.3968 71.2346 172.3981 108 Q 4.5939 8.8299 129.4277 55.6816 30.9572 174.2789 109 V 4.8678 9.0657 126.2557 61.2856 34.0820 174.0455 110 T 4.9089 9.1958 118.5945 59.7881 71.7437 173.1007 111 V 4.7114 8.6755 125.2576 61.1123 33.5229 174.7316 112 S 4.5957 8.7946 123.4676 57.1594 65.1183 174.8956 113 S 4.2988 8.6048 116.0713 59.2281 62.5696 174.4770 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 2 V 8.05 3.75 0.67 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 0.49 0.00 0.00 -0.55 0.00 0.00 3 Q 8.65 4.48 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 4 L 8.62 5.10 0.00 1.59 1.43 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.70 4.68 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 6 E 9.00 5.29 0.00 2.06 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 0.00 2.63 2.43 0.00 7 S 9.48 4.62 0.00 3.88 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 8 G 9.20 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.38 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 10 G 6.97 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 0.00 0.00 0.00 11 L 8.25 5.30 0.00 1.62 1.52 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.66 4.75 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 0.77 0.00 0.00 0.92 0.00 0.00 13 Q 8.78 4.87 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 14 A 8.33 4.31 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 15 G 9.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.34 5.94 0.00 3.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.04 4.79 0.00 1.29 1.34 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.13 4.71 0.00 1.77 1.72 0.00 3.09 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 20 L 8.53 4.63 0.00 0.68 1.07 0.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.26 5.36 0.00 3.86 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 22 C 9.51 5.35 0.00 2.55 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 23 A 8.87 5.07 1.24 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 0.00 0.00 0.00 24 A 8.31 4.71 1.10 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 0.00 0.00 25 S 8.84 4.46 0.00 3.77 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 26 G 8.98 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 27 A 8.20 4.28 1.17 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 28 T 7.49 4.10 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 1.07 0.00 0.00 29 G 7.89 3.69 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 0.00 0.00 0.00 30 S 7.21 4.63 0.00 3.90 3.37 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 31 T 7.70 4.13 4.10 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 1.27 0.00 0.00 32 Y 7.48 4.92 0.00 2.86 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 33 D 8.86 5.08 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 9.11 5.60 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 35 G 9.15 4.69 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 0.00 0.00 0.00 36 W 9.45 5.56 0.00 3.34 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 37 F 9.89 5.59 0.00 3.26 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 38 R 9.22 5.04 0.00 0.95 1.00 0.00 2.61 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 39 Q 8.73 4.72 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 40 A 8.62 4.82 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 41 P 0.00 4.31 0.00 2.05 2.01 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 42 G 9.05 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 43 K 7.65 4.71 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 44 E 8.47 4.15 0.00 1.96 1.87 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 2.28 2.28 0.00 45 R 8.33 4.26 0.00 1.80 1.74 0.00 3.06 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 46 E 9.20 5.03 0.00 2.07 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 2.39 2.33 0.00 47 S 8.96 4.28 0.00 3.86 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 48 V 8.63 4.40 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 1.34 0.00 0.00 1.12 0.00 0.00 49 A 7.70 4.97 1.05 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 0.00 0.00 50 A 8.72 5.14 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.87 5.00 1.93 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 1.02 1.42 1.20 0.00 0.00 52 N 9.35 4.92 0.00 3.01 2.75 0.00 0.00 6.45 8.21 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 52A W 9.69 4.00 0.00 3.58 3.12 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 0.00 0.00 0.00 53 G 8.44 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 54 S 8.25 4.36 0.00 4.00 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 55 A 8.03 3.66 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.74 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 57 T 7.98 5.08 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 1.21 0.00 0.00 58 Y 8.51 4.91 0.00 2.85 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 59 Y 8.70 5.25 0.00 2.82 2.84 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 0.00 0.00 0.00 60 A 9.43 4.13 1.39 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 0.00 0.00 61 S 9.19 4.07 0.00 3.89 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 62 S 8.00 4.20 0.00 3.98 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 63 V 7.48 3.74 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 0.46 0.00 0.00 1.13 0.00 0.00 64 R 7.16 3.96 0.00 1.86 1.73 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 65 G 9.09 3.99 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 0.00 0.00 0.00 66 R 7.74 4.53 0.00 1.58 2.23 0.00 3.04 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 67 F 8.31 5.62 0.00 2.93 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 68 T 8.91 4.95 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 1.32 0.00 0.00 69 I 9.15 5.00 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.79 0.00 0.00 70 S 8.93 4.94 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.33 5.28 0.00 1.59 1.85 0.00 2.70 0.00 0.00 2.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.47 0.00 72 D 9.21 4.70 0.00 3.05 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 73 N 9.17 4.65 0.00 2.86 3.00 0.00 0.00 6.96 8.12 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 74 A 8.16 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 75 K 8.45 4.18 0.00 1.97 1.97 0.00 2.06 0.00 0.00 1.82 0.00 0.00 3.37 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.70 7.81 76 K 7.98 4.03 0.00 1.93 1.75 0.00 1.49 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 77 T 8.15 5.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 78 V 8.47 4.96 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 0.81 0.00 0.00 1.23 0.00 0.00 79 Y 9.31 5.50 0.00 3.03 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 80 L 8.66 4.66 0.00 0.36 0.48 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.96 4.28 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 82 M 8.85 4.43 0.00 1.26 1.57 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.00 82A N 8.83 5.12 0.00 2.83 2.75 0.00 0.00 7.11 7.71 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 82B S 8.47 3.72 0.00 4.01 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 82C L 8.00 4.46 0.00 1.85 1.64 0.89 0.75 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 83 K 9.09 4.96 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.58 7.81 84 P 0.00 4.67 0.00 2.20 2.15 0.00 3.90 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 2.08 0.00 85 E 8.10 4.21 0.00 2.10 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 0.00 2.31 2.29 0.00 86 D 8.31 4.74 0.00 2.98 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 87 T 8.04 4.36 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 1.33 0.00 0.00 88 A 8.63 4.36 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 89 V 7.92 4.41 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 1.01 0.00 0.00 0.97 0.00 0.00 90 Y 9.39 5.35 0.00 3.08 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 91 T 9.48 5.40 4.53 0.00 0.00 0.00 0.00 0.00 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 92 C 9.53 4.77 0.00 1.86 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 93 G 8.95 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 0.00 0.00 0.00 94 A 8.08 5.29 1.24 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 0.00 0.00 0.00 95 G 8.18 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.95 5.33 0.00 1.88 1.91 0.00 3.29 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 97 I 8.96 3.37 1.52 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 98I E 9.38 4.03 0.00 2.00 2.41 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 2.39 2.37 0.00 98J S 8.17 4.21 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 W 8.17 4.25 0.00 3.77 3.36 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 0.00 100 V 6.58 2.95 1.11 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 -1.37 0.00 0.00 -1.01 0.00 0.00 101 T 7.90 3.78 2.71 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 0.00 0.00 0.00 -0.41 0.00 0.00 102 W 7.26 4.77 0.00 3.09 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 0.00 103 W 8.77 5.11 0.00 3.04 2.95 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 0.00 104 G 8.90 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 0.00 105 Q 8.80 4.17 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 106 G 9.65 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 0.00 107 T 8.77 4.77 4.37 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 1.38 0.00 0.00 108 Q 8.83 4.59 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 109 V 9.07 4.87 2.26 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 0.87 0.00 0.00 0.67 0.00 0.00 110 T 9.20 4.91 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 1.30 0.00 0.00 111 V 8.68 4.71 2.24 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 1.02 0.00 0.00 0.98 0.00 0.00 112 S 8.79 4.60 0.00 3.97 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 0.00 113 S 8.60 4.30 0.00 3.89 3.84 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 0.00 0.00 0.00