NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7905 8.2833 118.1311 52.8711 41.3230 176.1039 6 P 4.2670 0.0000 0.0000 65.2865 32.1714 177.1007 7 L 4.0696 8.0810 117.6616 57.2907 41.9629 178.6138 8 E 3.8170 8.1968 118.8928 59.2585 29.6980 178.4463 9 A 4.2400 7.6668 119.4831 55.4975 18.4406 179.4391 10 Q 3.9750 8.2603 117.7619 59.0584 29.0114 178.2507 11 A 3.8995 8.3917 122.3544 54.8637 18.4162 179.6285 12 W 4.1520 8.2259 117.1840 59.8849 28.9319 178.5521 13 A 4.1118 7.9560 119.4846 55.2116 18.1372 179.2962 14 L 4.1106 8.1608 117.5055 58.1179 41.8350 179.8881 15 L 4.0496 8.1044 118.7911 57.6066 41.3024 179.0602 16 E 4.2988 8.1933 116.9282 58.1069 29.5277 178.0031 17 A 4.8333 7.7064 119.5526 52.0117 19.5827 177.1993 18 V 4.0283 7.5076 118.3995 62.2837 31.8963 174.4576 19 Y 4.7961 8.6234 125.5451 56.6291 39.9475 174.7413 20 D 4.6360 9.2898 123.9532 52.5030 42.1528 175.4855 21 P 4.2536 0.0000 0.0000 65.6984 31.7840 177.4138 22 E 4.0707 8.4428 117.5236 58.7569 29.6327 177.2862 23 L 4.3753 8.0733 116.1882 54.2134 42.6726 177.5718 24 G 3.9691 8.5873 106.4392 45.7268 0.0000 172.7197 25 L 4.8106 7.3928 118.3872 51.6919 45.8070 175.5018 26 D 4.3770 7.3222 119.3583 52.6526 41.7745 177.7701 27 V 3.5028 7.9841 114.1393 64.3188 31.4336 179.3638 28 V 3.6740 7.6362 117.5807 66.2809 31.6030 177.8373 29 N 4.4340 8.7063 116.1100 55.7704 38.1079 177.2055 30 L 4.2124 7.6955 119.6700 55.5872 41.6826 177.8492 31 G 4.2021 7.8497 105.8862 47.1882 0.0000 174.5864 32 L 3.9231 7.9179 120.2697 55.7426 41.9224 177.1796 33 I 4.1305 7.6395 119.7834 60.4711 37.3932 174.8227 34 Y 4.8815 8.7467 124.6547 60.1661 38.8419 175.6858 35 D 4.8736 7.9257 116.3159 53.2951 44.9658 174.1554 36 L 4.8218 8.3946 125.6361 53.8176 45.2334 174.9391 37 V 4.4253 9.5642 126.2465 61.1770 34.8261 174.0184 38 V 4.4276 8.3653 127.2373 61.3181 33.6617 175.3458 39 E 4.4925 9.5425 130.0591 53.7026 30.4230 171.3150 40 P 4.4551 0.0000 0.0000 61.2167 32.3236 173.9689 41 P 5.6089 0.0000 0.0000 62.5465 32.5762 175.2118 42 R 5.3579 8.1963 118.2468 55.0330 34.2834 174.4008 43 A 5.1516 8.8200 122.0668 50.5245 22.9102 174.5187 44 Y 5.2562 9.6412 123.0932 55.7216 42.5956 174.5817 45 V 4.4295 7.9647 124.8169 59.8919 35.0508 174.0110 46 R 4.9194 8.2440 124.5193 53.9318 32.8852 175.0807 *48 T 3.9237 8.0791 117.4460 61.9752 68.2331 172.0593 49 L 4.6202 7.7850 121.4171 52.7139 44.5253 177.0448 50 T 3.4580 7.9553 109.2911 62.9630 69.2106 174.7222 51 T 4.8241 7.4354 111.3903 58.7708 71.8332 171.8482 52 P 3.8340 0.0000 0.0000 63.3977 32.1589 176.7267 53 G 3.8244 7.2220 105.9045 46.1508 0.0000 172.7973 54 C 4.5536 8.2919 119.6533 58.0151 29.2601 172.1778 55 P 4.5427 0.0000 0.0000 62.0529 31.8957 177.1623 56 L 3.9202 8.5424 120.1990 57.9111 41.6842 177.2126 57 H 4.5505 7.6761 116.7867 53.8063 32.2696 173.9652 58 D 4.6585 8.3107 129.2225 53.3497 37.9677 176.1876 59 S 4.2378 8.0001 119.9019 61.1692 63.4134 175.8645 60 L 4.0336 7.8752 122.8418 58.0083 41.8647 179.0916 61 G 3.7979 8.2346 107.1347 47.2085 0.0000 175.3080 62 E 3.8751 8.3538 121.5861 58.9353 29.6461 178.8089 63 A 3.9485 8.0885 120.9099 55.0501 18.5001 179.8124 64 V 3.4621 7.7441 116.8154 65.9078 31.5702 178.1635 65 R 3.7806 8.1560 118.7258 59.5514 29.7200 178.3232 66 Q 3.9201 8.0295 116.2830 58.9390 29.0440 178.4118 67 A 4.1358 7.9581 121.5021 55.5326 18.4399 179.8030 68 L 3.9383 7.7719 116.8916 57.8893 41.4359 179.7120 69 S 4.2906 7.7625 113.7587 60.5734 62.8174 175.9005 70 R 4.1699 7.6218 119.5863 56.2203 30.5060 176.6491 71 L 4.1880 7.5417 121.1333 53.3837 42.3157 174.7422 72 P 4.2606 0.0000 0.0000 64.0139 32.0057 176.9297 73 G 3.7952 8.9811 109.8719 45.3135 0.0000 172.9418 74 V 4.3302 7.1124 119.7772 61.9160 30.4127 174.9135 75 E 4.4880 8.7519 127.7853 57.4278 30.6281 176.8992 76 E 4.7008 8.0286 117.3277 54.4008 33.0915 174.5234 77 V 4.8512 8.5008 122.9751 60.9443 34.3738 173.8091 78 E 4.5423 9.2473 129.5030 54.5395 31.6239 174.5600 79 V 4.4666 8.3706 127.5929 61.3213 33.2339 174.4517 80 E 4.4659 8.8128 129.3419 54.8409 31.1951 175.3527 81 V 3.9959 8.1911 125.3516 61.6022 32.4871 174.8183 82 T 4.5304 7.9820 120.7479 60.4922 70.7010 173.1907 83 F 4.9307 8.6569 119.5278 56.9017 39.9203 175.0723 84 E 4.6633 8.2720 120.6191 53.8218 31.1341 174.3054 85 P 4.6435 0.0000 0.0000 61.1610 32.4863 174.2174 86 P 4.7722 0.0000 0.0000 62.2150 32.0882 176.0534 87 W 4.5314 8.9416 131.7008 57.5268 31.6828 175.0403 88 T 4.0917 6.8157 112.4969 59.4765 71.4710 174.6037 89 L 3.5717 7.8012 121.3195 57.1128 41.7232 179.3865 90 A 4.1092 7.3218 120.5022 54.3441 18.3206 178.2976 91 R 4.3221 7.7195 114.1491 56.2168 30.5783 176.6723 92 L 4.2895 7.5031 119.0623 54.6262 42.3962 177.3055 93 S 4.4155 8.6220 117.0144 57.6104 63.9200 174.9941 94 E 3.9316 8.6072 121.4520 59.1952 29.5457 178.4897 95 K 4.0268 7.9559 119.1156 59.3047 32.4743 178.4466 96 A 3.9298 8.1583 121.6991 54.9932 18.3096 179.2976 97 R 3.4660 7.6134 111.1379 56.9354 29.1688 177.9551 98 R 4.3456 7.6068 120.1443 57.9804 31.9664 178.3969 99 L 4.0289 7.7371 115.9159 57.0046 42.0221 178.2043 100 L 4.1119 7.8223 118.0373 57.7949 41.8239 176.7667 101 G 3.6563 7.3967 106.5488 45.2750 0.0000 173.7710 102 W 4.5355 7.8591 124.7430 57.3082 29.0245 175.7434 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 5 N 8.28 4.79 0.00 2.79 2.77 0.00 0.00 7.03 7.15 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 6 P 0.00 4.27 0.00 2.25 2.10 0.00 3.61 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 2.12 2.25 0.00 7 L 8.08 4.07 0.00 1.69 1.70 0.97 0.85 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 8 E 8.20 3.82 0.00 2.12 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 0.00 2.54 2.70 0.00 9 A 7.67 4.24 1.48 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 0.00 0.00 10 Q 8.26 3.97 0.00 2.18 2.24 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 2.37 2.40 0.00 11 A 8.39 3.90 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 12 W 8.23 4.15 0.00 3.62 3.19 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 13 A 7.96 4.11 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 14 L 8.16 4.11 0.00 1.89 1.71 0.97 0.52 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 15 L 8.10 4.05 0.00 1.90 1.72 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.19 4.30 0.00 2.19 2.05 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 2.52 2.59 0.00 17 A 7.71 4.83 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 18 V 7.51 4.03 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 0.91 0.00 0.00 0.95 0.00 0.00 19 Y 8.62 4.80 0.00 2.82 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 20 D 9.29 4.64 0.00 2.60 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 21 P 0.00 4.25 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 22 E 8.44 4.07 0.00 1.91 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 0.00 2.30 2.34 0.00 23 L 8.07 4.38 0.00 1.74 1.71 0.91 1.10 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 24 G 8.59 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 25 L 7.39 4.81 0.00 1.61 1.37 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.32 4.38 0.00 2.55 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.50 1.96 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 0.72 0.00 0.00 0.92 0.00 0.00 28 V 7.64 3.67 2.30 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 1.14 0.00 0.00 1.17 0.00 0.00 29 N 8.71 4.43 0.00 2.79 2.77 0.00 0.00 7.13 6.84 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 30 L 7.70 4.21 0.00 1.76 1.66 0.71 0.98 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 31 G 7.85 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.92 3.92 0.00 1.63 1.58 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.64 4.13 2.19 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.86 0.00 0.00 34 Y 8.75 4.88 0.00 2.96 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 35 D 7.93 4.87 0.00 2.94 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 36 L 8.39 4.82 0.00 1.09 1.13 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.56 4.43 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 0.91 0.00 0.00 1.06 0.00 0.00 38 V 8.37 4.43 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 0.78 0.00 0.00 0.82 0.00 0.00 39 E 9.54 4.49 0.00 2.00 1.75 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 2.20 2.32 0.00 40 P 0.00 4.46 0.00 2.08 1.99 0.00 3.72 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 2.03 2.12 0.00 41 P 0.00 5.61 0.00 2.10 2.32 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 42 R 8.20 5.36 0.00 1.76 1.83 0.00 3.06 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 43 A 8.82 5.15 1.15 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 44 Y 9.64 5.26 0.00 2.91 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 0.00 45 V 7.96 4.43 1.79 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 0.61 0.00 0.00 0.74 0.00 0.00 46 R 8.24 4.92 0.00 1.82 1.83 0.00 3.29 0.00 0.00 3.38 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 *48 T 8.08 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 0.88 0.00 0.00 49 L 7.78 4.62 0.00 1.94 1.51 1.01 0.77 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 50 T 7.96 3.46 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 0.09 0.00 0.00 51 T 7.44 4.82 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 1.25 0.00 0.00 52 P 0.00 3.83 0.00 1.98 1.96 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 53 G 7.22 3.82 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 54 C 8.29 4.55 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 55 P 0.00 4.54 0.00 2.24 2.19 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 56 L 8.54 3.92 0.00 1.65 1.82 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.68 4.55 0.00 3.20 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.31 4.66 0.00 2.78 2.47 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 0.00 59 S 8.00 4.24 0.00 3.92 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 60 L 7.88 4.03 0.00 1.69 1.57 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.23 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 62 E 8.35 3.88 0.00 2.15 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 2.37 0.00 63 A 8.09 3.95 1.40 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 0.00 0.00 0.00 64 V 7.74 3.46 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 0.85 0.00 0.00 0.86 0.00 0.00 65 R 8.16 3.78 0.00 1.93 2.01 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 66 Q 8.03 3.92 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 67 A 7.96 4.14 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 68 L 7.77 3.94 0.00 1.79 1.65 0.77 0.73 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 69 S 7.76 4.29 0.00 4.02 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 70 R 7.62 4.17 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 71 L 7.54 4.19 0.00 1.78 1.57 0.90 0.85 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 72 P 0.00 4.26 0.00 2.17 2.05 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 73 G 8.98 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 74 V 7.11 4.33 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 0.78 0.00 0.00 0.91 0.00 0.00 75 E 8.75 4.49 0.00 1.90 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 0.00 2.30 2.24 0.00 76 E 8.03 4.70 0.00 1.97 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 0.00 2.41 2.29 0.00 77 V 8.50 4.85 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 0.74 0.00 0.00 0.90 0.00 0.00 78 E 9.25 4.54 0.00 2.12 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 2.28 2.27 0.00 79 V 8.37 4.47 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 0.71 0.00 0.00 0.82 0.00 0.00 80 E 8.81 4.47 0.00 1.78 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 2.38 2.58 0.00 81 V 8.19 4.00 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 0.40 0.00 0.00 0.82 0.00 0.00 82 T 7.98 4.53 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 1.34 0.00 0.00 83 F 8.66 4.93 0.00 3.14 3.05 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 84 E 8.27 4.66 0.00 2.03 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 2.34 2.33 0.00 85 P 0.00 4.64 0.00 2.17 2.00 0.00 3.20 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 86 P 0.00 4.77 0.00 2.33 2.23 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 87 W 8.94 4.53 0.00 3.39 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 88 T 6.82 4.09 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 1.12 0.00 0.00 89 L 7.80 3.57 0.00 1.70 1.97 1.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.32 4.11 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 91 R 7.72 4.32 0.00 1.91 2.13 0.00 3.22 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 92 L 7.50 4.29 0.00 1.62 1.49 0.44 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.62 4.42 0.00 3.95 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 94 E 8.61 3.93 0.00 1.95 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 2.43 0.00 95 K 7.96 4.03 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 96 A 8.16 3.93 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 97 R 7.61 3.47 0.00 2.13 1.80 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 98 R 7.61 4.35 0.00 2.10 1.96 0.00 3.12 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 99 L 7.74 4.03 0.00 1.72 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.82 4.11 0.00 0.99 1.43 -0.31 0.64 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 0.00 101 G 7.40 3.66 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 0.00 102 W 7.86 4.54 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.