NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5270 8.1627 120.3619 55.9764 34.4266 177.1719 2 M 3.9395 8.1843 117.5267 58.0180 32.2644 176.0932 3 D 4.3502 8.4081 117.9474 57.5657 41.7856 177.0874 4 Y 4.1404 7.9383 119.4604 60.7699 38.8725 177.7268 5 L 3.7348 8.3383 120.2459 57.5625 41.2696 179.6262 6 I 3.8203 8.0503 120.2318 64.7470 36.9342 178.6820 7 T 4.0149 7.8993 108.3679 63.9943 68.9612 175.2255 8 Q 4.2808 7.9254 119.2215 54.6286 29.1494 175.4386 9 N 4.1113 7.3636 112.8531 54.2363 36.6750 174.8319 10 G 4.1016 8.6179 99.0432 45.0573 0.0000 174.8997 11 G 3.9047 7.8394 110.4356 47.2484 0.0000 175.3148 12 M 4.0092 8.2306 120.2750 59.1175 32.0034 178.3991 13 V 3.4993 7.5405 111.7351 64.5219 31.6071 178.5639 14 F 4.4165 7.9483 116.6906 60.2480 38.7539 177.7584 15 A 4.0908 8.1187 120.3043 54.8819 18.2588 179.7079 16 V 3.5103 8.0818 117.1961 66.1134 31.5701 178.0438 17 L 4.0253 8.0982 119.8933 57.9539 41.8885 178.7735 18 A 4.1010 8.2569 120.9365 55.5393 18.4561 179.5116 19 M 4.0235 8.1155 116.9616 58.4053 32.0002 178.8812 20 A 3.9898 8.1186 120.8464 55.4336 18.4919 179.7564 21 T 3.9912 8.3710 114.3446 66.8566 68.1936 176.5746 22 A 4.0872 8.1239 122.5159 55.5839 18.3913 179.9011 23 T 3.7998 7.8847 113.8203 66.8519 68.5151 177.1155 24 I 3.4921 8.0300 121.9300 64.5676 37.2258 178.7006 25 F 4.0960 7.7596 118.5138 60.2997 38.7740 178.1249 26 S 4.3130 7.8601 114.0180 61.3971 62.8070 176.8548 27 G 3.5795 8.1479 109.4278 47.4752 0.0000 175.8053 28 I 3.7920 8.1100 122.6265 63.9909 37.1189 178.6314 29 G 3.6457 7.9731 106.3989 48.0058 0.0000 175.9535 30 S 4.5976 8.3391 118.9017 60.7147 62.8812 176.4867 31 A 3.9585 8.3067 123.8774 55.2192 18.0096 179.9343 32 K 4.0233 8.3465 117.1280 59.4485 32.1438 179.9933 33 G 3.5452 8.1644 106.0071 47.8853 0.0000 176.0309 34 V 3.8509 8.4994 121.6960 65.3178 31.4564 178.3260 35 G 3.5557 8.2173 105.5807 48.0523 0.0000 175.2279 36 M 4.1607 8.3235 121.8377 58.6489 32.1910 178.4765 37 T 4.0249 8.0407 115.9566 66.4945 68.4994 176.9645 38 G 3.6608 8.3816 107.9438 47.7794 0.0000 175.6030 39 E 3.9697 8.4360 120.7238 59.2144 29.4899 179.3570 40 A 3.9996 7.9802 120.2193 55.0554 18.4507 179.5870 41 A 3.9591 8.5174 119.6085 55.1248 18.3003 179.7115 42 A 3.9726 8.4382 119.5051 55.2910 18.2488 179.7228 43 A 3.9542 7.7674 118.1907 55.2039 18.7289 179.2844 44 L 4.0635 7.9760 118.8875 58.6712 41.2296 179.3894 45 T 4.1580 8.0713 115.7208 66.3985 68.0952 176.6064 46 T 4.0888 7.6421 111.4274 63.7747 68.7179 175.1167 47 S 4.6107 7.5584 114.7249 58.5213 65.7121 174.3584 48 Q 4.8393 8.6413 118.7882 52.3385 28.6219 174.2435 49 P 4.4617 0.0000 0.0000 64.7847 32.4293 178.9967 50 E 4.1094 8.2252 116.9369 58.2501 29.9160 177.8308 51 K 4.5357 8.0249 119.4218 56.5107 32.5210 177.9876 52 F 4.3324 8.2591 124.0055 61.5320 39.2616 177.3509 53 G 3.4726 8.1467 104.6047 48.0769 0.0000 175.4674 54 Q 3.9710 7.9650 119.9596 58.3748 28.7937 178.4229 55 A 3.9599 7.9609 121.9711 54.9559 18.5238 179.4313 56 L 3.7019 7.7848 119.0828 58.1362 41.8461 179.1929 57 I 3.6205 7.1676 118.2095 64.4498 37.0472 178.0071 58 L 4.0989 7.6521 119.2487 57.9096 41.2150 179.4123 59 Q 3.9528 7.8510 118.4480 59.0871 29.1477 178.0200 60 L 4.1167 7.7492 119.3851 56.8143 41.7328 179.1116 61 L 3.9161 7.4838 119.1918 57.5860 41.8893 177.3168 62 P 4.9671 0.0000 0.0000 62.9632 30.6740 177.8355 63 G 3.8024 8.2112 106.6062 46.1830 0.0000 176.1105 64 T 3.6854 7.3136 111.6968 64.3372 68.7543 176.5685 65 Q 4.1336 8.0253 120.7236 59.1262 28.8203 179.2956 66 G 3.6565 8.3505 106.6585 47.6161 0.0000 175.8052 67 L 4.0102 7.1019 117.9968 57.7981 41.6488 178.9050 68 Y 4.3920 7.8066 117.0248 61.2613 37.7856 179.1785 69 G 4.2330 8.3115 107.8436 47.3210 0.0000 175.4193 70 F 4.1752 8.4707 123.2114 61.0802 39.3290 177.3788 71 V 3.7495 8.3648 117.8586 66.1308 31.4098 177.9877 72 I 3.7755 8.2830 119.3135 64.4621 37.0272 178.1499 73 A 3.9949 8.2513 121.6505 55.3129 18.2338 179.5248 74 F 4.0076 8.2530 119.1060 61.1080 39.1681 177.2195 75 L 3.9352 8.1196 119.7018 57.9465 42.1371 178.7614 76 I 3.5747 7.8303 119.8955 64.1281 36.5076 177.8609 77 F 3.9548 8.0120 121.7355 61.3411 38.9299 176.8732 78 I 3.6354 7.1694 109.6112 62.1529 37.6368 176.0560 79 N 4.7503 7.2055 117.2110 52.9842 38.7922 175.7273 80 L 4.1024 6.9264 119.0850 55.2477 43.0566 176.1440 81 G 4.4442 7.9132 113.8595 45.7051 0.0000 173.1037 82 S 4.1684 7.9494 117.0679 60.7262 63.4287 175.1185 83 D 4.6256 7.9395 118.1034 54.4573 40.9875 175.3405 84 M 4.1405 7.6662 118.8028 55.8652 32.7788 176.1257 85 S 4.3573 8.4928 121.1995 57.9135 65.5039 175.3107 86 V 3.7405 8.2629 121.7458 66.0257 31.2801 178.1786 87 V 3.4944 7.7728 117.5975 66.1773 31.3887 177.6662 88 Q 3.9251 7.9945 118.7592 58.9748 28.8822 178.2641 89 G 3.9493 8.3181 106.7916 48.1328 0.0000 175.7112 90 L 3.9735 8.2729 121.9766 57.2888 41.5330 179.3716 91 N 4.2508 8.1790 116.6798 56.2481 38.5541 177.4158 92 F 4.3077 8.1434 119.1890 60.3824 38.7737 177.4427 93 L 4.1854 8.0223 119.0839 58.2763 42.1521 178.9061 94 G 3.7888 8.4796 105.7450 47.8660 0.0000 175.4516 95 A 4.1155 8.2026 123.2164 54.7680 18.4868 179.5918 96 S 4.2941 8.0965 111.9967 60.7490 63.2818 176.7719 97 L 4.1928 7.8245 123.2514 57.3322 41.3858 177.1990 98 P 4.3688 0.0000 0.0000 65.9488 31.3905 178.5346 99 I 3.8622 8.0561 116.9384 63.7483 37.8882 177.6325 100 A 3.9614 7.9897 121.4007 55.2635 18.2886 179.3282 101 F 4.6102 8.2890 115.5838 59.8155 39.4731 178.6434 102 T 4.2834 8.4919 110.0247 64.5355 68.5995 177.0140 103 G 3.7059 8.3932 108.6606 47.5535 0.0000 175.2371 104 L 4.0073 8.0016 123.2517 58.0786 42.1433 179.1822 105 F 4.2346 8.3936 117.7141 60.3953 38.9130 178.1316 106 S 4.4323 8.7538 114.3298 61.1385 62.8917 176.8073 107 G 3.6389 8.2796 109.4986 47.7265 0.0000 175.7916 108 I 3.7153 7.6248 122.1480 64.0065 37.0545 178.3861 109 A 4.0590 8.2033 121.6368 55.3315 18.2701 179.5089 110 Q 4.0773 8.7313 118.6638 59.1853 29.0556 178.4919 111 G 3.7040 8.2397 106.8923 47.8176 0.0000 175.8157 112 K 4.0077 7.9948 120.2929 59.1876 32.0342 179.7165 113 V 3.5997 7.7049 118.5417 65.8569 31.2709 177.9888 114 A 4.0112 8.2440 119.7154 55.0821 18.4930 179.0912 115 A 4.0751 8.3239 119.2610 55.3416 18.4854 179.7177 116 A 4.1012 8.1695 119.4140 55.2451 18.4248 180.1038 117 G 3.7009 8.3224 104.1845 47.7830 0.0000 175.9386 118 I 3.7876 7.5565 121.7992 64.5200 37.0221 178.4109 119 Q 4.0653 8.0607 118.5190 58.6706 28.3871 178.7092 120 I 3.7180 7.6564 120.6350 64.2998 37.0383 177.8193 121 L 3.8336 7.7003 119.6117 58.1393 41.9067 178.6260 122 A 4.1371 7.9130 119.5914 54.9315 18.4546 178.9946 123 K 4.3567 7.8790 114.8488 57.0651 34.5017 177.5790 124 K 4.7023 8.6549 118.2552 53.5704 32.6195 174.9891 125 P 4.3246 0.0000 0.0000 65.5265 31.7187 179.1479 126 E 4.0686 8.1669 115.1914 58.3007 29.9633 176.9036 127 H 4.7913 8.4088 116.9215 55.5713 29.2355 176.0797 128 A 4.0600 7.8202 125.0459 55.6342 17.9746 180.6470 129 T 3.8006 7.9129 113.8329 66.7059 68.4715 176.6375 130 K 3.7851 8.1588 120.6824 59.1958 32.1127 179.5574 131 G 3.7357 7.8795 106.0432 47.7934 0.0000 175.7583 132 I 3.7339 7.6748 121.7237 64.2177 37.2258 178.4202 133 I 3.6358 7.6938 120.4573 64.3492 36.6950 178.3246 134 F 4.4976 7.6277 117.0672 60.9024 39.1254 177.4062 135 A 4.2137 8.1580 119.5219 55.0497 18.1717 179.5443 136 A 4.0533 8.3738 119.5399 55.3840 18.1660 179.6750 137 M 4.1538 7.8303 116.0607 58.1667 32.1171 178.5150 138 V 4.0750 7.8575 117.9441 65.2472 31.7088 177.4123 139 E 3.9992 8.1616 119.5031 59.4354 29.2511 178.6172 140 T 3.6170 7.7800 115.4153 67.1464 68.4856 175.5438 141 Y 4.1404 7.2204 117.6796 60.5301 37.8291 178.0249 142 A 4.1931 8.0763 121.6724 55.1180 18.5340 179.5755 143 I 3.3543 7.7794 118.3865 64.3828 37.1606 178.6132 144 L 4.0869 8.2241 120.2320 57.7801 41.4730 179.8481 145 G 3.9947 8.0984 106.7990 47.2162 0.0000 175.4915 146 F 4.2445 8.5199 123.4043 61.0129 39.3291 177.3849 147 V 3.3858 8.1035 118.0918 66.0099 31.3322 178.0526 148 I 3.6978 7.7457 119.4785 64.4953 36.8843 178.4854 149 S 4.4164 8.0864 117.2737 60.9253 62.7274 176.4953 150 F 3.7489 8.2836 123.4943 61.3444 38.8673 177.1505 151 L 4.0795 7.9695 117.1452 57.9229 41.4809 179.3143 152 L 4.0954 8.1348 118.9649 57.4664 41.1465 179.7178 153 V 3.6681 7.9901 118.6234 66.0422 31.3172 178.1707 154 L 3.9637 7.4798 116.6867 56.7071 41.4860 177.8435 155 N 4.6398 7.2915 114.3261 53.1196 39.5099 174.2850 156 A 3.8078 7.2020 126.9401 53.0734 18.2437 177.1383 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 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.18 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 3 D 8.41 4.35 0.00 2.80 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 4 Y 7.94 4.14 0.00 3.09 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 5 L 8.34 3.73 0.00 1.94 1.74 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.05 3.82 2.09 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 1.60 1.19 0.92 0.00 0.00 7 T 7.90 4.01 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 1.31 0.00 0.00 8 Q 7.93 4.28 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 N 7.36 4.11 0.00 2.79 2.79 0.00 0.00 6.78 7.53 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 10 G 8.62 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 0.00 0.00 0.00 0.00 11 G 7.84 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 12 M 8.23 4.01 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 13 V 7.54 3.50 1.81 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 0.71 0.00 0.00 0.20 0.00 0.00 14 F 7.95 4.42 0.00 3.33 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 15 A 8.12 4.09 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 16 V 8.08 3.51 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 17 L 8.10 4.03 0.00 2.01 1.98 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.26 4.10 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 19 M 8.12 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 20 A 8.12 3.99 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 21 T 8.37 3.99 4.52 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 1.42 0.00 0.00 22 A 8.12 4.09 1.47 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 0.00 0.00 23 T 7.88 3.80 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 1.30 0.00 0.00 24 I 8.03 3.49 1.50 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.17 0.00 0.00 25 F 7.76 4.10 0.00 2.79 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 26 S 7.86 4.31 0.00 4.21 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 27 G 8.15 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 28 I 8.11 3.79 1.96 0.00 0.00 0.64 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 0.60 0.88 0.00 0.00 29 G 7.97 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 30 S 8.34 4.60 0.00 3.86 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 31 A 8.31 3.96 1.32 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 0.00 0.00 0.00 32 K 8.35 4.02 0.00 1.86 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 33 G 8.16 3.55 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 0.00 0.00 0.00 34 V 8.50 3.85 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 1.05 0.00 0.00 0.96 0.00 0.00 35 G 8.22 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.32 4.16 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.04 4.02 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 1.28 0.00 0.00 38 G 8.38 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 39 E 8.44 3.97 0.00 2.22 2.02 0.00 0.00 0.00 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 2.51 0.00 40 A 7.98 4.00 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 41 A 8.52 3.96 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 42 A 8.44 3.97 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 A 7.77 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 44 L 7.98 4.06 0.00 1.81 1.87 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.07 4.16 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 46 T 7.64 4.09 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 1.29 0.00 0.00 47 S 7.56 4.61 0.00 4.15 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 48 Q 8.64 4.84 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 49 P 0.00 4.46 0.00 2.19 2.40 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.23 4.11 0.00 2.16 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 0.00 2.38 2.29 0.00 51 K 8.02 4.54 0.00 2.05 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.26 4.33 0.00 3.20 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 53 G 8.15 3.47 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 0.00 0.00 0.00 54 Q 7.96 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.96 3.96 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 56 L 7.78 3.70 0.00 1.15 1.46 0.83 1.01 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 57 I 7.17 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.86 0.00 0.00 58 L 7.65 4.10 0.00 1.83 1.71 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.85 3.95 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 60 L 7.75 4.12 0.00 1.87 1.63 0.85 0.29 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 61 L 7.48 3.92 0.00 1.91 1.73 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.97 0.00 2.18 2.23 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 63 G 8.21 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 64 T 7.31 3.69 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 1.04 0.00 0.00 65 Q 8.03 4.13 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 66 G 8.35 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 67 L 7.10 4.01 0.00 1.58 1.60 0.75 0.62 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 68 Y 7.81 4.39 0.00 3.24 3.01 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 69 G 8.31 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 0.00 0.00 0.00 70 F 8.47 4.18 0.00 3.26 3.28 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 71 V 8.36 3.75 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 1.51 0.00 0.00 1.23 0.00 0.00 72 I 8.28 3.78 2.19 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.07 0.99 0.00 0.00 73 A 8.25 3.99 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 74 F 8.25 4.01 0.00 2.74 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 75 L 8.12 3.94 0.00 1.83 1.84 0.78 0.56 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 76 I 7.83 3.57 1.89 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 1.44 0.65 0.31 0.00 0.00 77 F 8.01 3.95 0.00 3.01 2.85 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 78 I 7.17 3.64 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.46 0.00 0.00 79 N 7.21 4.75 0.00 2.89 2.98 0.00 0.00 6.99 7.74 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 80 L 6.93 4.10 0.00 1.46 1.39 0.58 0.66 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 81 G 7.91 4.44 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 0.00 82 S 7.95 4.17 0.00 3.99 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 0.00 83 D 7.94 4.63 0.00 2.64 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 84 M 7.67 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 85 S 8.49 4.36 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 86 V 8.26 3.74 2.11 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 1.09 0.00 0.00 1.10 0.00 0.00 87 V 7.77 3.49 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 7.99 3.93 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 89 G 8.32 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 90 L 8.27 3.97 0.00 1.69 1.57 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.18 4.25 0.00 2.68 2.61 0.00 0.00 6.95 7.75 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 92 F 8.14 4.31 0.00 3.37 3.03 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 93 L 8.02 4.19 0.00 1.95 1.96 1.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.48 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 95 A 8.20 4.12 1.50 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 0.00 0.00 96 S 8.10 4.29 0.00 4.27 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 0.00 97 L 7.82 4.19 0.00 1.87 1.98 0.98 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.37 0.00 2.36 2.19 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.06 3.86 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.12 0.00 0.00 100 A 7.99 3.96 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 0.00 101 F 8.29 4.61 0.00 3.28 3.28 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 0.00 102 T 8.49 4.28 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 103 G 8.39 3.71 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 0.00 0.00 0.00 104 L 8.00 4.01 0.00 2.06 1.87 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.39 4.23 0.00 3.43 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 0.00 106 S 8.75 4.43 0.00 4.24 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 0.00 107 G 8.28 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.72 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.94 0.00 0.00 109 A 8.20 4.06 1.47 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 0.00 0.00 110 Q 8.73 4.08 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.24 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.99 4.01 0.00 2.03 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.70 3.60 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 1.15 0.00 0.00 1.05 0.00 0.00 114 A 8.24 4.01 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 0.00 115 A 8.32 4.08 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 0.00 116 A 8.17 4.10 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 0.00 117 G 8.32 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.56 3.79 2.08 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 1.73 0.98 0.96 0.00 0.00 119 Q 8.06 4.07 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 120 I 7.66 3.72 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 1.06 0.00 0.00 121 L 7.70 3.83 0.00 1.65 1.96 0.92 1.17 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 0.00 122 A 7.91 4.14 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 0.00 123 K 7.88 4.36 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.65 4.70 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.32 0.00 2.21 2.43 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.07 0.00 2.01 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 0.00 1.98 2.16 0.00 127 H 8.41 4.79 0.00 3.30 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.82 4.06 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 0.00 129 T 7.91 3.80 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 1.16 0.00 0.00 130 K 8.16 3.79 0.00 1.87 1.52 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 131 G 7.88 3.74 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 0.00 0.00 0.00 132 I 7.67 3.73 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.88 0.00 0.00 133 I 7.69 3.64 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.79 0.00 0.00 134 F 7.63 4.50 0.00 3.21 3.01 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 0.00 135 A 8.16 4.21 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.37 4.05 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 0.00 137 M 7.83 4.15 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.03 0.00 138 V 7.86 4.08 2.29 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 1.23 0.00 0.00 1.04 0.00 0.00 139 E 8.16 4.00 0.00 2.19 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 2.36 2.48 0.00 140 T 7.78 3.62 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 0.76 0.00 0.00 141 Y 7.22 4.14 0.00 3.21 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 0.00 142 A 8.08 4.19 1.60 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 0.00 0.00 143 I 7.78 3.35 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.83 0.00 0.00 144 L 8.22 4.09 0.00 1.75 1.77 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.10 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 0.00 146 F 8.52 4.24 0.00 2.90 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 0.00 147 V 8.10 3.39 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 1.02 0.00 0.00 0.95 0.00 0.00 148 I 7.75 3.70 1.91 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 1.74 0.77 0.93 0.00 0.00 149 S 8.09 4.42 0.00 4.12 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 0.00 150 F 8.28 3.75 0.00 2.62 2.93 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 0.00 0.00 0.00 151 L 7.97 4.08 0.00 1.82 1.73 0.93 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 0.00 152 L 8.13 4.10 0.00 1.89 1.68 0.93 0.65 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 0.00 153 V 7.99 3.67 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 1.11 0.00 0.00 1.01 0.00 0.00 154 L 7.48 3.96 0.00 1.73 1.65 0.94 0.90 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 0.00 155 N 7.29 4.64 0.00 2.73 2.72 0.00 0.00 7.13 7.74 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 0.00 156 A 7.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00