NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4129 8.2893 120.3486 55.3476 33.0709 174.7525 2 N 4.6401 8.5849 124.0965 51.5563 38.8570 173.0180 3 I 4.6033 8.7878 121.1286 59.6049 41.9861 176.2310 4 I 4.3642 8.3349 123.9478 59.6225 38.4780 175.1483 5 K 4.4530 8.6049 124.8910 54.4002 33.9905 176.2068 6 A 4.5668 8.3865 126.4083 50.8286 21.1474 175.1638 7 N 5.0470 8.1814 116.8985 51.9006 41.4314 175.8090 8 V 3.8940 8.1850 114.4756 62.7855 32.2680 176.8154 9 A 4.2610 8.1621 123.6120 52.1169 18.6876 178.0145 10 A 4.6325 8.3057 122.4961 51.2111 21.6967 174.0806 11 P 4.6339 0.0000 0.0000 64.9127 32.1505 178.9722 12 D 4.5477 8.0658 115.2992 54.3216 40.4703 175.7738 13 A 4.6065 7.7014 124.6773 51.8888 20.1562 178.3096 14 R 4.8301 9.4857 120.9709 55.1019 32.6993 175.6886 15 V 4.9399 8.8176 124.2842 60.0044 34.8511 173.9464 16 A 4.9285 8.5340 128.4129 50.0778 21.5374 175.2200 17 I 4.8017 8.6377 123.7187 59.5792 39.4581 174.6836 18 T 4.7493 8.6306 117.9128 60.0225 70.7729 173.4719 19 I 5.1573 8.3385 126.5861 58.1950 40.4880 174.5521 20 A 4.9957 8.4537 128.0753 51.4113 19.0566 177.9386 21 R 4.4485 9.2714 119.4897 58.4589 30.2679 176.9925 22 F 4.6195 8.2372 121.2972 59.9358 39.7573 174.2923 23 N 4.6444 9.8648 124.0642 54.6154 35.5509 176.2073 24 Q 4.2318 8.3861 120.4509 59.4311 28.1036 177.7218 25 F 3.8214 8.4738 121.4742 61.2472 39.4333 176.5514 26 I 4.1750 8.1008 118.4428 63.8573 37.4664 177.7670 27 N 4.3587 8.2934 116.6843 56.3913 38.2871 176.8886 28 D 4.5713 8.8210 120.8871 57.6798 40.9878 178.9150 29 S 4.0969 7.9654 112.9321 60.9097 62.3954 175.5009 30 L 4.0328 7.8358 123.3635 58.6413 41.6941 178.2225 31 L 3.8598 8.5701 120.5808 57.6855 41.9229 178.6610 32 D 4.4983 8.5256 118.4482 57.3098 40.9137 179.8110 33 G 3.5772 8.0803 105.8212 47.7495 0.0000 175.3687 34 A 3.9415 7.8119 123.4116 54.6555 18.4988 179.4001 35 V 3.4383 7.9050 116.7601 66.2683 31.5401 177.3388 36 D 4.3110 8.1448 117.2351 57.6902 40.9366 177.7582 37 A 3.9423 8.2280 120.9915 55.6910 18.3776 179.0602 38 L 3.8461 8.5363 116.5438 59.1641 41.9567 179.9177 39 T 4.1812 8.2120 110.7492 64.2368 68.6763 176.4185 40 R 3.8821 8.2869 123.1915 58.0651 30.3190 178.2740 41 I 4.2528 7.7942 118.2584 63.4214 38.1574 177.6796 42 G 3.8441 7.8020 103.6897 44.1583 0.0000 173.8459 43 Q 3.7963 7.9333 120.2121 56.4497 28.0847 172.8786 44 V 3.7436 7.5114 116.8479 62.0514 32.2140 175.2141 45 K 4.3116 8.5776 128.8905 56.3244 32.5612 176.5262 46 D 4.7322 8.7986 124.6258 53.9158 39.1560 176.2174 47 D 4.8039 7.9855 117.0859 53.7677 40.2377 176.3078 48 N 4.7082 8.5626 117.7937 53.7290 39.3701 174.1189 49 I 5.0029 7.5872 120.1302 60.1982 38.4968 175.1965 50 T 4.7205 8.7940 117.1500 59.7129 71.9441 172.9668 51 V 4.6290 8.4088 123.5576 61.0493 34.1378 174.5231 52 V 4.3078 8.9670 128.6368 60.8298 33.7414 174.4514 53 W 4.9093 8.9766 129.0551 56.4350 29.6146 176.4837 54 V 4.3827 8.6459 119.0933 59.0484 33.6731 174.7762 55 P 4.3039 0.0000 0.0000 65.2263 31.2265 176.8906 56 G 4.5144 7.9786 108.4762 42.8133 0.0000 174.1040 57 A 4.0484 8.4893 120.7320 54.8488 18.1006 179.3137 58 Y 4.2160 8.1598 117.1025 60.6673 39.2261 177.3933 59 E 4.1271 8.2012 118.9644 57.9590 29.6366 178.6037 60 L 3.8766 7.6397 119.4321 58.1592 41.6146 177.0158 61 P 4.1812 0.0000 0.0000 64.7896 31.1359 178.0724 62 L 3.8409 7.6414 117.9716 58.4197 42.4522 179.2867 63 A 3.9884 7.8468 120.3431 55.6285 18.2860 179.8275 64 T 3.8201 8.1755 108.4313 64.5583 68.7346 176.1342 65 E 3.8452 8.9403 122.6388 59.1735 29.6261 178.3004 66 A 4.0068 7.9862 120.5475 55.6275 18.1911 179.6125 67 L 4.0930 7.6180 114.9486 57.8997 41.9044 179.4840 68 A 4.2253 8.4041 120.9882 55.1450 18.2237 179.7983 69 K 3.8919 8.2605 116.2870 59.6530 32.1447 178.9953 70 S 4.2008 8.1502 112.8970 59.4046 61.9201 175.8555 71 G 3.9399 8.5747 110.3873 46.3585 0.0000 176.1153 72 K 3.9257 7.6916 120.1943 56.3142 31.8682 182.1543 73 Y 5.1040 6.9342 114.0801 56.8189 40.5217 175.4865 74 D 4.7306 9.1494 121.8742 55.7835 41.8209 176.4285 75 A 4.5344 7.3140 117.7053 51.2798 22.4775 175.0757 76 V 4.7327 8.1340 119.8764 61.0386 34.5707 174.4836 77 V 4.3944 8.7910 128.3187 61.4781 33.4414 174.1272 78 A 4.9534 8.5596 130.1232 49.6558 20.9191 175.2288 79 L 5.3320 7.9710 123.1685 52.5525 44.5994 176.3373 80 G 4.2537 7.7438 108.4348 45.9659 0.0000 171.8249 81 T 5.0619 8.5173 115.9029 61.4874 72.0146 174.2294 82 V 4.2335 9.1206 125.4597 61.3708 34.0741 173.8994 83 I 4.8516 8.1862 128.7784 59.3139 38.9364 175.9474 84 R 3.7038 8.5193 127.8448 56.5999 30.3329 176.3704 85 G 4.4303 8.3406 115.8095 44.2666 0.0000 172.9177 86 G 3.6439 8.7742 107.6040 47.4319 0.0000 173.3351 87 T 4.5213 7.6052 108.4114 59.7467 71.5481 173.5031 88 A 4.4894 8.3627 121.2814 52.7229 18.8846 178.6502 89 H 4.2865 8.3738 120.2103 60.2614 29.8202 176.8974 90 F 4.0167 8.4659 122.0128 61.5250 38.9867 176.5624 91 E 3.6067 7.9509 118.2864 59.6097 29.2960 178.4298 92 Y 4.3126 7.3915 115.8346 60.7175 38.1740 177.6278 93 V 3.6511 7.6482 119.1279 65.9405 31.6021 177.8699 94 A 4.0898 7.7788 120.1101 55.0869 18.0524 179.7102 95 G 3.6101 8.0940 104.7309 47.7954 0.0000 176.0967 96 G 3.8642 8.6589 108.3918 45.8359 0.0000 174.8158 97 A 4.2619 7.7991 122.5449 54.4152 19.6588 179.1197 98 S 4.1333 8.2557 111.8533 61.8660 62.3539 176.2639 99 N 4.4371 8.5092 119.3486 55.9581 38.3422 177.3598 100 G 3.7623 7.7177 106.7488 48.1131 0.0000 175.4436 101 L 3.9872 8.0618 121.6012 57.2809 41.6617 179.6182 102 A 3.9923 8.0564 120.5390 55.0617 18.2416 179.6267 103 S 3.9358 8.3186 111.7829 61.5215 62.4986 176.1494 104 V 3.5504 7.7347 120.7690 66.2835 31.1211 177.7565 105 A 4.3181 7.8440 121.2227 54.8054 18.0020 179.4327 106 Q 3.9006 7.5919 116.5645 59.1639 29.1499 177.8306 107 D 4.5213 8.0381 119.4206 57.1215 41.2521 178.6021 108 S 4.3181 8.2452 112.9597 58.9437 63.3763 175.7102 109 G 3.9065 8.1367 109.3972 45.6411 0.0000 173.7243 110 V 3.9524 7.5810 121.1658 61.6573 33.0055 173.6277 111 P 4.4897 0.0000 0.0000 62.6790 32.5264 175.1461 112 V 4.9316 8.3844 123.4608 61.0326 33.9641 174.2754 113 A 4.4275 8.9289 130.4994 51.0388 20.3591 176.3212 114 F 4.8476 8.9981 126.6682 56.1863 38.3626 175.9152 115 G 3.9590 8.0871 118.1024 44.9492 0.0000 171.0249 116 V 4.5320 6.1250 117.7071 60.5834 33.7866 176.0266 117 L 4.2690 8.7152 129.4623 55.0975 42.7900 176.6379 118 T 5.2485 8.5087 112.9595 59.9032 68.9823 172.6136 119 T 4.6011 8.7088 121.0727 60.9564 71.9613 175.1955 120 E 4.0817 9.9008 121.0872 57.3782 30.4546 177.2811 121 S 4.7221 7.6045 111.9354 55.5338 67.6567 174.7939 122 I 3.6756 8.2242 123.0887 64.3313 36.6025 177.9001 123 E 3.9092 8.2151 118.8731 59.8109 29.6749 178.6815 124 Q 4.2799 8.0914 117.3473 58.8402 28.7641 178.5638 125 A 4.0115 7.8260 121.5301 55.4410 18.1045 179.7625 126 I 3.7699 7.8905 118.1313 64.6049 37.1063 178.5318 127 E 4.5815 8.1422 120.5326 57.9525 29.2495 178.3459 128 R 4.5480 7.9787 115.9160 55.6295 30.5679 176.6330 129 A 4.8417 7.1959 121.4657 52.6827 19.4857 177.0296 130 G 4.4527 7.8992 108.0597 48.1493 0.0000 175.4901 131 T 4.6224 7.5375 115.1358 60.1115 68.7846 175.7431 132 K 3.7934 9.2097 117.0641 59.2987 31.7645 177.7509 133 A 4.5863 7.8116 119.3542 51.9848 20.0317 178.8297 134 G 3.7493 8.0799 110.6042 47.2364 0.0000 173.7486 135 N 5.3251 8.2398 117.7196 50.9540 40.9320 175.6473 136 K 4.0258 8.9773 128.9818 59.0937 32.0578 179.0137 137 G 4.0833 8.3144 107.6830 47.3168 0.0000 175.5157 138 A 4.0337 7.8841 123.2121 54.3199 18.4058 179.2273 139 E 3.8370 8.5557 117.9688 59.4433 29.7691 178.9415 140 A 4.0357 8.6286 122.3474 54.3791 18.3781 179.3879 141 A 3.8953 8.1836 119.4802 55.3090 18.3987 179.8703 142 L 3.9118 8.0234 117.6293 58.2564 41.2842 179.9451 143 T 3.8312 8.1773 109.4156 64.5819 68.4470 176.1100 144 A 3.9817 7.9334 123.8688 55.0617 18.4530 179.1249 145 L 3.8778 7.8973 116.9421 58.1282 41.8137 179.2584 146 E 4.1604 8.3195 120.3215 59.0415 29.4344 178.8621 147 M 4.0273 8.0216 118.2788 58.4913 31.9517 178.4171 148 I 3.6911 7.7341 119.8329 64.8752 37.2748 178.1345 149 N 4.3145 7.9883 116.3186 56.2341 38.1620 177.5129 150 V 3.5843 7.9475 118.9885 66.2756 31.7921 177.8171 151 L 4.0728 8.4279 118.9186 57.5780 41.3447 179.1831 152 K 3.8801 8.2050 119.1243 59.5711 32.1883 177.1776 153 A 4.4588 8.1615 120.3658 51.7483 19.3498 177.2608 154 I 3.8850 7.7950 120.9509 63.1662 37.7325 173.9648 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 4.64 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 8.79 4.60 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 0.67 0.91 0.00 0.00 4 I 8.33 4.36 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 0.60 0.91 0.00 0.00 5 K 8.60 4.45 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.57 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 7 N 8.18 5.05 0.00 2.74 2.64 0.00 0.00 6.87 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 8.18 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.16 4.26 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 8.31 4.63 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 11 P 0.00 4.63 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 8.07 4.55 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 7.70 4.61 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 14 R 9.49 4.83 0.00 1.42 1.78 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 8.82 4.94 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.53 4.93 0.32 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 17 I 8.64 4.80 1.68 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 1.17 0.86 0.72 0.00 0.00 18 T 8.63 4.75 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 8.34 5.16 0.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.43 0.42 0.00 0.00 20 A 8.45 5.00 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 21 R 9.27 4.45 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.24 4.62 0.00 3.16 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 23 N 9.86 4.64 0.00 2.97 2.99 0.00 0.00 6.88 7.62 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 24 Q 8.39 4.23 0.00 2.51 2.75 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 2.44 2.49 0.00 25 F 8.47 3.82 0.00 3.12 3.20 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 26 I 8.10 4.18 2.12 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 8.29 4.36 0.00 2.87 2.93 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 8.82 4.57 0.00 2.67 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 29 S 7.97 4.10 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 7.84 4.03 0.00 1.92 1.62 0.92 0.49 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 31 L 8.57 3.86 0.00 1.75 1.78 0.77 1.14 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 32 D 8.53 4.50 0.00 2.87 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 8.08 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 34 A 7.81 3.94 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 35 V 7.91 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 4.31 0.00 2.83 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 37 A 8.23 3.94 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 38 L 8.54 3.85 0.00 1.83 1.74 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.21 4.18 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 8.29 3.88 0.00 1.82 2.23 0.00 3.24 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.79 4.25 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 1.45 0.97 0.91 0.00 0.00 42 G 7.80 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 0.00 0.00 0.00 43 Q 7.93 3.80 0.00 2.35 2.15 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 2.25 2.32 0.00 44 V 7.51 3.74 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 0.88 0.00 0.00 1.01 0.00 0.00 45 K 8.58 4.31 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.88 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 8.80 4.73 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 7.99 4.80 0.00 2.78 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 48 N 8.56 4.71 0.00 2.88 3.00 0.00 0.00 6.91 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 49 I 7.59 5.00 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 8.79 4.72 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 1.50 0.00 0.00 51 V 8.41 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 8.97 4.31 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 0.86 0.00 0.00 53 W 8.98 4.91 0.00 3.20 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 54 V 8.65 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 0.86 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.30 0.00 2.19 2.31 0.00 3.75 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 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.05 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 8.16 4.22 0.00 2.91 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 8.20 4.13 0.00 2.03 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 2.61 2.58 0.00 60 L 7.64 3.88 0.00 1.78 1.70 0.90 0.77 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 61 P 0.00 4.18 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 2.08 2.10 0.00 62 L 7.64 3.84 0.00 1.63 1.66 0.91 0.96 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 7.85 3.99 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 64 T 8.18 3.82 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 1.20 0.00 0.00 65 E 8.94 3.85 0.00 2.00 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 2.31 2.34 0.00 66 A 7.99 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 67 L 7.62 4.09 0.00 1.78 1.65 0.62 0.67 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 68 A 8.40 4.23 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 69 K 8.26 3.89 0.00 1.73 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.60 7.81 70 S 8.15 4.20 0.00 3.92 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 71 G 8.57 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 7.69 3.93 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.93 5.10 0.00 3.12 2.96 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 74 D 9.15 4.73 0.00 2.55 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 7.31 4.53 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 8.13 4.73 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 0.99 0.00 0.00 0.85 0.00 0.00 77 V 8.79 4.39 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.56 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 7.97 5.33 0.00 1.38 1.40 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.74 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 0.00 0.00 0.00 81 T 8.52 5.06 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 1.19 0.00 0.00 82 V 9.12 4.23 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.85 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 0.72 0.84 0.00 0.00 84 R 8.52 3.70 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.00 85 G 8.34 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 8.77 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 7.61 4.52 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 8.36 4.49 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 89 H 8.37 4.29 0.00 3.32 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.02 0.00 3.10 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 91 E 7.95 3.61 0.00 1.94 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 2.17 0.00 92 Y 7.39 4.31 0.00 3.00 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 7.65 3.65 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.78 4.09 0.93 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 0.00 0.00 95 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.80 4.26 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 8.26 4.13 0.00 3.73 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 99 N 8.51 4.44 0.00 2.88 2.83 0.00 0.00 6.95 8.40 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 0.00 100 G 7.72 3.76 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 0.00 101 L 8.06 3.99 0.00 1.89 1.82 1.03 0.81 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 0.00 102 A 8.06 3.99 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 0.00 103 S 8.32 3.94 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 7.73 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 105 A 7.84 4.32 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 0.00 106 Q 7.59 3.90 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 107 D 8.04 4.52 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 8.25 4.32 0.00 4.03 4.05 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 0.00 109 G 8.14 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 0.00 0.00 0.00 110 V 7.58 3.95 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 1.01 0.00 0.00 111 P 0.00 4.49 0.00 2.12 1.96 0.00 3.79 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 2.12 2.09 0.00 112 V 8.38 4.93 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 0.86 0.00 0.00 0.98 0.00 0.00 113 A 8.93 4.43 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 2.99 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 8.09 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 0.00 0.00 0.00 116 V 6.13 4.53 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 0.67 0.00 0.00 -0.10 0.00 0.00 117 L 8.72 4.27 0.00 1.61 1.58 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.51 5.25 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 1.24 0.00 0.00 119 T 8.71 4.60 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 1.26 0.00 0.00 120 E 9.90 4.08 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 2.31 2.30 0.00 121 S 7.60 4.72 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.22 3.68 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 1.47 0.59 0.86 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 8.09 4.28 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 7.83 4.01 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 7.89 3.77 2.00 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 1.13 0.99 0.00 0.00 127 E 8.14 4.58 0.00 2.28 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 2.38 0.00 128 R 7.98 4.55 0.00 1.86 1.93 0.00 3.11 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 1.57 1.62 0.00 129 A 7.20 4.84 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 7.90 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 0.00 0.00 0.00 0.00 131 T 7.54 4.62 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 1.26 0.00 0.00 132 K 9.21 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.81 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 8.08 3.75 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 0.00 0.00 0.00 135 N 8.24 5.33 0.00 2.70 2.66 0.00 0.00 6.94 6.75 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 0.00 136 K 8.98 4.03 0.00 1.81 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.31 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.88 4.03 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 0.00 139 E 8.56 3.84 0.00 2.02 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 8.63 4.04 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 0.00 141 A 8.18 3.90 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 0.00 142 L 8.02 3.91 0.00 1.99 1.72 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.18 3.83 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 1.29 0.00 0.00 144 A 7.93 3.98 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 0.00 145 L 7.90 3.88 0.00 1.85 1.91 0.98 0.89 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 0.00 146 E 8.32 4.16 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 8.02 4.03 0.00 2.09 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 2.89 0.00 148 I 7.73 3.69 2.07 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 0.89 0.92 0.00 0.00 149 N 7.99 4.31 0.00 2.95 2.86 0.00 0.00 6.73 8.55 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 0.00 150 V 7.95 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.43 4.07 0.00 1.93 1.68 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.20 3.88 0.00 1.83 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.16 4.46 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 0.00 154 I 7.79 3.88 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 0.73 0.91 0.00 0.00