NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4110 8.2893 120.3486 55.3744 33.0419 174.6998 2 N 4.6720 8.5777 124.0639 51.4198 38.9589 172.9976 3 I 4.6130 8.7832 121.0365 59.5975 41.9914 176.2683 4 I 4.3849 8.3240 123.6689 59.6087 38.6302 175.1728 5 K 4.4528 8.6342 124.7984 54.3967 34.1257 176.1100 6 A 4.6055 8.4014 126.2966 50.6822 21.1592 174.9456 7 N 5.0424 8.1818 116.8082 51.9697 41.7531 175.6262 8 V 3.9409 8.1026 113.9455 62.3918 32.3587 176.2487 9 A 4.2752 8.0659 123.7224 52.0017 18.7899 177.9968 10 A 4.6150 8.2780 122.0674 51.2860 21.6102 174.1210 11 P 4.8330 0.0000 0.0000 64.8872 32.1952 178.8939 12 D 4.6606 8.0803 115.4211 54.3542 40.4997 175.7461 13 A 4.6346 7.6507 124.5206 51.7869 20.2399 178.2397 14 R 4.8422 9.5105 120.7918 55.1241 32.6197 175.9109 15 V 4.9532 8.9508 124.4758 59.9944 34.8742 173.9458 16 A 4.9449 8.5470 128.4474 50.0797 21.5352 175.1573 17 I 4.7906 8.6922 123.8914 59.5978 39.4148 174.7074 18 T 4.7973 8.5610 117.7522 60.0078 70.7322 173.4047 19 I 5.1702 8.3304 126.6619 58.2562 40.4502 174.5399 20 A 5.0577 8.4264 127.7860 51.3163 19.3242 177.9336 21 R 4.4560 9.2922 119.2956 58.2703 30.3167 176.8843 22 F 4.6269 8.1764 121.5356 59.9474 39.6798 174.3545 23 N 4.6995 9.8729 123.9975 54.4460 35.5335 176.1625 24 Q 4.1957 8.2689 120.0612 59.3704 28.1152 177.8565 25 F 3.8362 8.4856 121.5596 61.1664 39.4002 176.4396 26 I 4.2185 8.3491 118.7913 63.7003 37.7251 177.7966 27 N 4.3839 8.2603 116.6174 56.2173 38.2325 176.9399 28 D 4.5747 8.7957 121.0075 57.6434 41.0225 178.7888 29 S 4.0395 7.9691 112.9401 61.1859 62.4221 175.5016 30 L 4.0873 7.8139 123.1517 58.4118 41.6228 178.5210 31 L 3.8676 8.3396 120.5436 57.8688 42.0966 178.6167 32 D 4.5064 8.4547 118.8903 57.3293 40.8165 179.7444 33 G 3.5853 8.1602 105.7352 47.7658 0.0000 175.3275 34 A 4.0172 7.8175 123.3630 54.7593 18.4393 179.2923 35 V 3.4361 7.9272 116.7176 66.3378 31.5394 177.2363 36 D 4.3197 8.1351 117.1064 57.7777 40.9584 177.9550 37 A 3.9325 8.2271 120.8214 55.7078 18.3116 179.0635 38 L 3.8810 8.4857 116.7475 59.1103 41.9513 179.8616 39 T 4.2032 8.2379 110.9647 64.0581 68.6638 176.3732 40 R 3.8748 8.2560 123.7234 58.2255 30.6655 178.0072 41 I 4.0665 8.0209 117.3300 63.5140 37.7931 177.0475 42 G 3.8307 7.9617 106.5726 44.9831 0.0000 174.0481 43 Q 3.8158 8.1752 117.4182 56.4476 26.6397 173.3208 44 V 3.9324 7.5405 118.8649 62.3854 32.2383 175.2372 45 K 4.3563 8.5770 128.8555 56.2323 32.5231 176.6635 46 D 4.7171 8.8179 124.2514 54.0346 39.0579 176.1918 47 D 4.8106 7.9838 117.0869 53.7498 40.1505 176.2797 48 N 4.7105 8.5983 117.7082 53.6604 39.3607 174.0927 49 I 4.8832 7.5930 120.2331 60.2482 38.4285 175.1897 50 T 4.7194 8.7960 117.2995 59.7012 71.9315 173.0139 51 V 4.6255 8.4001 123.5305 61.0697 34.1091 174.5137 52 V 4.3189 9.0261 129.0071 60.7974 33.7163 174.4596 53 W 4.8798 8.9930 129.0012 56.5479 29.6139 176.4540 54 V 4.3805 8.7376 119.2302 59.0907 33.6646 174.7895 55 P 4.3123 0.0000 0.0000 65.1861 31.3537 176.9972 56 G 4.4633 7.9768 108.3184 42.7531 0.0000 174.0017 57 A 4.0763 8.4667 120.3907 54.7373 18.0944 179.2404 58 Y 4.1728 8.1408 117.1516 60.6628 39.2708 177.3729 59 E 4.1185 8.2557 119.3421 58.1609 29.5970 178.7150 60 L 3.8799 7.5705 119.7595 58.1180 41.6204 177.0692 61 P 4.1869 0.0000 0.0000 64.7335 31.0887 178.0433 62 L 3.8351 7.6645 117.9905 58.4477 42.2677 179.2156 63 A 3.9788 7.8110 120.1252 55.6780 18.2882 179.8477 64 T 3.8264 8.1676 108.2476 64.5055 68.6884 176.1662 65 E 3.8421 8.9183 122.6238 59.1746 29.5873 178.2717 66 A 4.0095 8.0646 120.7256 55.6409 18.1824 179.6678 67 L 4.0669 7.5521 114.8747 57.7947 41.9255 179.5071 68 A 4.2097 8.3527 120.9981 55.2381 18.2326 179.8617 69 K 3.9250 8.1525 115.9714 59.5880 32.1248 178.9376 70 S 4.2046 8.1844 113.1770 59.5208 61.6459 175.8492 71 G 3.9436 8.5401 110.4279 46.2641 0.0000 176.0311 72 K 3.9333 7.6084 120.4268 56.2545 31.8947 182.1526 73 Y 5.1056 6.9361 114.0900 56.8506 40.5022 175.4478 74 D 4.7421 9.2746 121.9917 55.9558 41.9182 176.4926 75 A 4.5555 7.4006 117.2468 51.1886 22.5277 175.0766 76 V 4.7557 8.3508 120.2058 61.0415 34.5534 174.4820 77 V 4.4123 8.7429 128.2688 61.4288 33.3556 174.1206 78 A 4.9507 8.5305 130.2036 49.6456 20.9046 175.1624 79 L 5.2682 8.0015 123.1505 52.6298 44.5286 176.3436 80 G 4.2177 7.7801 108.3470 45.9001 0.0000 171.8399 81 T 5.0532 8.5280 116.1179 61.5011 71.9228 174.3719 82 V 4.2273 9.1895 125.0496 61.3591 34.1575 173.8594 83 I 4.7846 8.1981 128.7728 59.5391 38.6439 176.0060 84 R 3.6870 8.4383 127.9176 56.5850 30.3013 176.3985 85 G 4.4255 8.3501 115.9165 44.3358 0.0000 173.0048 86 G 3.6446 8.7921 107.7179 47.4932 0.0000 173.3292 87 T 4.5422 7.5903 108.2250 59.6504 71.5859 173.4258 88 A 4.4727 8.3764 121.2646 52.8034 18.7183 178.8045 89 H 4.2992 8.3699 120.4518 60.3547 29.8039 176.9258 90 F 4.0005 8.4802 122.0714 61.5696 39.0216 176.6369 91 E 3.6056 7.9580 118.2999 59.5532 29.3611 178.3835 92 Y 4.3132 7.4133 115.8532 60.7418 38.2666 177.5184 93 V 3.6803 7.6899 119.3055 65.8597 31.5934 177.7688 94 A 4.0750 7.8078 120.1116 55.3017 18.0717 179.5983 95 G 3.6246 8.1843 104.6236 47.7220 0.0000 175.9819 96 G 3.8517 8.6629 108.1208 45.7357 0.0000 174.7711 97 A 4.2508 7.8245 122.6202 54.3565 19.6645 179.1314 98 S 4.1319 8.2027 111.7530 61.8973 62.3715 176.2847 99 N 4.4388 8.5579 119.4992 55.9111 38.2927 177.4585 100 G 3.7227 7.7079 106.3400 48.0392 0.0000 175.5706 101 L 3.9908 8.0514 121.7081 57.2294 41.7263 179.5289 102 A 3.9870 8.0692 120.6345 55.1042 18.2751 179.5114 103 S 3.9317 8.3066 111.7483 61.5316 62.4413 176.1669 104 V 3.5492 7.7444 120.6845 66.2437 31.1275 177.7376 105 A 4.3614 7.7983 121.0275 54.8280 18.0244 179.4097 106 Q 3.9002 7.7378 116.6018 59.2259 29.1279 177.8429 107 D 4.5325 8.0554 119.3882 56.9386 41.2649 178.4388 108 S 4.3683 8.3781 112.9839 58.5762 63.4972 175.4905 109 G 3.8762 8.0499 109.5463 45.7661 0.0000 173.6443 110 V 4.0160 7.4758 120.9977 61.4464 33.0318 173.6089 111 P 4.5481 0.0000 0.0000 62.6652 32.4935 175.1570 112 V 4.8200 8.4044 123.5116 61.0251 34.0699 174.2137 113 A 4.4737 8.9332 130.3884 50.8610 20.5061 176.2691 114 F 4.8530 9.0043 126.7297 56.2757 38.4133 175.9129 115 G 3.9498 8.1380 118.5446 45.0521 0.0000 171.1507 116 V 4.5532 6.0977 117.7748 60.5091 33.8411 175.9952 117 L 4.2516 8.6719 129.4398 55.1408 42.7534 176.6410 118 T 5.2544 8.5606 113.1485 59.8306 69.0494 172.6078 119 T 4.6172 8.7237 120.9957 60.9556 71.9841 175.0376 120 E 4.1348 9.7165 120.4103 57.2339 30.5527 177.2185 121 S 4.7085 7.5829 111.9817 55.5590 67.6340 174.7868 122 I 3.6725 8.2393 123.1753 64.3174 36.6006 177.8929 123 E 3.9097 8.2169 118.9360 59.8115 29.6690 178.6408 124 Q 4.2909 8.1965 117.2887 58.8944 28.8621 178.6432 125 A 4.0275 7.7871 121.8328 55.4257 18.3101 179.7279 126 I 3.7629 7.9052 118.1549 64.6495 37.1188 178.5481 127 E 4.5445 8.0540 120.2485 58.1460 29.2681 178.4589 128 R 4.5218 7.8320 115.2123 55.6996 30.4404 176.7378 129 A 4.8085 7.2249 121.9125 52.7017 19.4459 177.0699 130 G 4.4430 7.8573 108.1608 48.1166 0.0000 175.4390 131 T 4.6045 7.5628 115.1995 60.0239 68.8384 175.7649 132 K 3.7794 9.2122 117.0391 59.2991 31.7909 177.7820 133 A 4.5908 7.7923 119.3562 51.9833 20.0617 178.8785 134 G 3.7355 8.1775 110.4644 47.3627 0.0000 173.9254 135 N 5.3044 8.2493 118.0797 50.9591 41.0331 175.5556 136 K 3.9856 8.9419 129.0622 59.1704 32.0572 179.0812 137 G 4.0697 8.2531 107.6842 47.3493 0.0000 175.5610 138 A 4.0336 7.8907 123.3307 54.3394 18.4403 179.2452 139 E 3.8600 8.5244 117.9997 59.4023 29.7429 178.9262 140 A 4.0597 8.5874 122.4299 54.3712 18.3824 179.3827 141 A 3.8947 8.1972 119.5184 55.3106 18.3867 179.9009 142 L 3.9122 7.9675 117.5856 58.2453 41.3780 179.9603 143 T 3.8521 8.1139 109.3024 64.4567 68.4967 176.2800 144 A 3.9860 7.8973 123.9303 55.0780 18.3918 179.1552 145 L 3.8844 7.8476 117.1460 58.1878 41.8363 179.2480 146 E 4.1815 8.3654 120.4355 59.1136 29.3662 178.9954 147 M 4.0795 7.9201 118.0639 58.3061 31.9254 178.4466 148 I 3.6994 7.6987 119.9951 64.7934 37.3038 178.1939 149 N 4.3096 7.9601 116.5482 56.2467 38.1809 177.4623 150 V 3.5934 7.9994 118.8827 66.2207 31.7128 177.8958 151 L 4.0800 8.3353 118.6957 57.7592 41.3845 179.1505 152 K 3.8421 8.0828 118.4531 59.6063 32.0917 177.2435 153 A 4.4564 8.2233 120.1999 51.7134 19.2089 177.2704 154 I 3.9032 7.8755 120.9936 63.1625 37.7034 174.0182 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.67 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.61 1.87 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 1.41 0.82 0.91 0.00 0.00 4 I 8.32 4.38 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.63 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.40 4.61 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 7 N 8.18 5.04 0.00 2.73 2.64 0.00 0.00 6.86 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 8 V 8.10 3.94 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.07 4.28 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 10 A 8.28 4.61 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 11 P 0.00 4.83 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 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 12 D 8.08 4.66 0.00 2.69 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 13 A 7.65 4.63 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 14 R 9.51 4.84 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.95 4.95 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.55 4.94 0.38 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 17 I 8.69 4.79 1.68 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 1.17 0.88 0.74 0.00 0.00 18 T 8.56 4.80 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 1.09 0.00 0.00 19 I 8.33 5.17 0.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.05 0.30 0.00 0.00 20 A 8.43 5.06 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 21 R 9.29 4.46 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.18 4.63 0.00 3.17 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 23 N 9.87 4.70 0.00 2.98 3.01 0.00 0.00 6.88 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 24 Q 8.27 4.20 0.00 2.54 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 25 F 8.49 3.84 0.00 3.13 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 26 I 8.35 4.22 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 0.95 0.00 0.00 27 N 8.26 4.38 0.00 2.88 2.92 0.00 0.00 7.08 8.08 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 28 D 8.80 4.57 0.00 2.66 2.72 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 29 S 7.97 4.04 0.00 3.81 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 30 L 7.81 4.09 0.00 1.93 1.64 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.34 3.87 0.00 1.80 1.80 0.77 1.30 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 32 D 8.45 4.51 0.00 2.86 2.70 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 33 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.02 1.30 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 0.00 0.00 0.00 35 V 7.93 3.44 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 0.98 0.00 0.00 0.96 0.00 0.00 36 D 8.14 4.32 0.00 2.83 2.90 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 37 A 8.23 3.93 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 38 L 8.49 3.88 0.00 1.85 1.75 0.89 0.67 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 39 T 8.24 4.20 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 1.28 0.00 0.00 40 R 8.26 3.87 0.00 1.80 2.22 0.00 3.24 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.02 4.07 2.06 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 1.23 0.96 0.91 0.00 0.00 42 G 7.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.18 3.82 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.54 3.93 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 0.98 0.00 0.00 1.02 0.00 0.00 45 K 8.58 4.36 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.72 0.00 2.83 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 47 D 7.98 4.81 0.00 2.78 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 48 N 8.60 4.71 0.00 2.86 2.99 0.00 0.00 6.92 7.31 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 49 I 7.59 4.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.80 4.72 4.31 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 1.53 0.00 0.00 51 V 8.40 4.63 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 0.49 0.00 0.00 0.83 0.00 0.00 52 V 9.03 4.32 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 0.93 0.00 0.00 0.85 0.00 0.00 53 W 8.99 4.88 0.00 3.22 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 54 V 8.74 4.38 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 0.83 0.00 0.00 1.11 0.00 0.00 55 P 0.00 4.31 0.00 2.19 2.31 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.98 4.46 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 0.00 57 A 8.47 4.08 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 58 Y 8.14 4.17 0.00 2.93 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 59 E 8.26 4.12 0.00 2.00 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 2.63 2.58 0.00 60 L 7.57 3.88 0.00 1.69 1.70 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.19 0.00 2.03 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 62 L 7.66 3.84 0.00 1.63 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.98 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 64 T 8.17 3.83 4.18 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 1.24 0.00 0.00 65 E 8.92 3.84 0.00 2.00 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 2.31 2.33 0.00 66 A 8.06 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 67 L 7.55 4.07 0.00 1.72 1.63 0.63 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.35 4.21 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 69 K 8.15 3.93 0.00 1.74 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.60 7.81 70 S 8.18 4.20 0.00 3.91 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 71 G 8.54 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 72 K 7.61 3.93 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.94 5.11 0.00 3.13 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 74 D 9.27 4.74 0.00 2.56 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 75 A 7.40 4.56 1.20 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 76 V 8.35 4.76 2.03 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 0.98 0.00 0.00 0.85 0.00 0.00 77 V 8.74 4.41 1.99 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.53 4.95 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 79 L 8.00 5.27 0.00 1.38 1.40 0.85 0.66 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 80 G 7.78 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 0.00 0.00 0.00 0.00 81 T 8.53 5.05 4.31 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 1.20 0.00 0.00 82 V 9.19 4.23 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 0.93 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.78 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.85 0.00 0.00 84 R 8.44 3.69 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 85 G 8.35 4.43 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 0.00 86 G 8.79 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 87 T 7.59 4.54 4.31 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 1.24 0.00 0.00 88 A 8.38 4.47 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 89 H 8.37 4.30 0.00 3.28 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.00 0.00 3.12 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 91 E 7.96 3.61 0.00 1.95 1.12 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 2.00 2.18 0.00 92 Y 7.41 4.31 0.00 2.98 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 93 V 7.69 3.68 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 1.04 0.00 0.00 0.78 0.00 0.00 94 A 7.81 4.08 0.94 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 95 G 8.18 3.62 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 0.00 0.00 0.00 96 G 8.66 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 97 A 7.82 4.25 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 98 S 8.20 4.13 0.00 3.72 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 99 N 8.56 4.44 0.00 2.78 2.83 0.00 0.00 6.96 7.78 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 0.00 100 G 7.71 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 0.00 0.00 0.00 101 L 8.05 3.99 0.00 2.03 1.81 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.07 3.99 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 0.00 103 S 8.31 3.93 0.00 3.96 4.02 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 0.00 0.00 0.00 104 V 7.74 3.55 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.80 4.36 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 Q 7.74 3.90 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.06 4.53 0.00 2.70 2.70 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 0.00 108 S 8.38 4.37 0.00 4.02 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 0.00 109 G 8.05 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 0.00 110 V 7.48 4.02 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 0.98 0.00 0.00 111 P 0.00 4.55 0.00 2.12 1.96 0.00 3.79 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 2.12 2.09 0.00 112 V 8.40 4.82 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.93 4.47 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 0.00 114 F 9.00 4.85 0.00 3.00 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 0.00 115 G 8.14 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 0.00 116 V 6.10 4.55 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 0.69 0.00 0.00 -0.10 0.00 0.00 117 L 8.67 4.25 0.00 1.63 1.58 0.93 0.36 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 0.00 118 T 8.56 5.25 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 1.25 0.00 0.00 119 T 8.72 4.62 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 1.24 0.00 0.00 120 E 9.72 4.13 0.00 1.95 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 2.30 2.30 0.00 121 S 7.58 4.71 0.00 3.95 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 0.00 122 I 8.24 3.67 1.84 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 1.48 0.69 0.87 0.00 0.00 123 E 8.22 3.91 0.00 1.93 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 2.30 2.50 0.00 124 Q 8.20 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.79 4.03 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 0.00 126 I 7.91 3.76 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.02 0.99 0.00 0.00 127 E 8.05 4.54 0.00 2.29 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 2.34 2.39 0.00 128 R 7.83 4.52 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.22 4.81 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 0.00 130 G 7.86 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 0.00 131 T 7.56 4.60 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 1.23 0.00 0.00 132 K 9.21 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 4.59 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 0.00 134 G 8.18 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 0.00 135 N 8.25 5.30 0.00 2.70 2.66 0.00 0.00 6.93 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 0.00 136 K 8.94 3.99 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.25 4.07 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 0.00 0.00 0.00 138 A 7.89 4.03 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 0.00 139 E 8.52 3.86 0.00 2.03 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 2.31 2.33 0.00 140 A 8.59 4.06 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 0.00 141 A 8.20 3.89 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 0.00 142 L 7.97 3.91 0.00 2.01 1.72 0.91 0.42 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 0.00 143 T 8.11 3.85 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 1.27 0.00 0.00 144 A 7.90 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 0.00 145 L 7.85 3.88 0.00 1.85 1.87 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.37 4.18 0.00 2.01 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 2.32 2.24 0.00 147 M 7.92 4.08 0.00 2.11 2.37 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 2.63 2.88 0.00 148 I 7.70 3.70 2.03 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 1.68 0.84 0.92 0.00 0.00 149 N 7.96 4.31 0.00 2.92 2.86 0.00 0.00 6.71 9.03 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 0.00 150 V 8.00 3.59 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.34 4.08 0.00 1.94 1.69 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.08 3.84 0.00 1.84 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.22 4.46 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 0.00 154 I 7.88 3.90 1.87 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 1.16 0.71 0.91 0.00 0.00