NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3307 8.4401 118.7973 56.5029 30.6151 174.7126 4 A 4.1885 7.4759 119.0431 52.5517 21.9675 176.1732 5 D 4.1505 7.2569 112.7214 50.9336 42.7512 173.7397 6 V 4.3972 7.7981 118.7172 60.8880 34.8770 173.7800 7 N 4.2764 8.7840 124.4190 53.4681 38.9925 173.9761 8 P 4.3328 0.0000 0.0000 64.8380 31.6069 177.1747 9 K 4.0587 7.5731 116.3427 57.4955 32.7682 177.2225 10 A 2.8427 7.3293 123.1558 51.0335 16.5415 175.6011 11 Y 4.6663 7.2118 121.6455 54.1609 41.8162 173.2379 12 P 3.9062 0.0000 0.0000 61.8526 33.4923 174.1542 13 L 5.1401 8.1153 122.9809 53.2724 43.7324 175.7590 14 A 4.3521 8.5945 128.7982 51.6599 19.4387 177.7757 15 D 4.5955 8.5273 121.1186 52.3834 42.3355 177.2482 16 A 3.9599 8.3413 120.0711 55.8773 18.2384 179.4733 17 H 4.2580 7.9704 114.1595 58.8487 28.8869 177.7282 18 L 3.9559 9.0176 122.5743 58.2564 41.8568 178.8051 19 T 3.8507 8.1746 116.1762 66.6964 68.4395 176.1874 20 K 3.9012 7.9875 121.0979 59.4242 32.1567 178.8115 21 K 3.9047 7.8388 118.1275 59.4881 32.0522 179.0247 22 L 3.9815 8.3520 119.3546 58.1570 41.5580 179.8427 23 L 4.1644 8.2283 118.8055 57.7482 41.5126 179.3061 24 D 4.3586 8.1713 119.0081 57.4165 40.8066 178.6557 25 L 4.0705 8.1364 120.8799 57.9262 42.1646 179.0050 26 V 3.7074 8.4697 118.8180 65.9112 31.4205 177.8270 27 Q 4.2460 8.2355 120.8607 58.7411 28.8603 178.1946 28 Q 4.1442 8.2014 119.0185 59.3204 28.7833 178.8698 29 S 4.1991 8.6264 116.4756 61.8115 62.7932 176.5621 30 C 4.0936 8.0245 120.6344 62.7485 31.2220 175.2438 31 N 4.3218 8.0119 116.5963 56.1444 38.1036 175.9273 32 Y 4.3938 8.1971 115.8687 56.6974 38.3888 175.4921 33 K 3.9579 8.0522 117.6373 58.1689 30.2568 175.5976 34 Q 4.8268 8.7027 115.0900 54.6581 30.1245 175.0734 35 L 5.0764 8.0938 119.7679 53.3212 45.3177 175.3062 36 R 4.6478 9.0827 125.1641 54.3343 32.7686 174.8823 37 K 4.6670 8.5222 123.3717 55.3745 34.1902 175.7154 38 G 4.0824 9.0675 113.7950 44.0838 0.0000 174.5238 39 A 3.9783 8.9503 124.7955 55.0607 18.4945 179.8680 40 N 4.2588 8.1323 114.3472 56.7782 38.7322 177.3974 41 E 3.9727 8.1452 119.0726 59.0253 29.6127 178.8104 42 A 3.9486 8.4488 121.3734 55.6270 18.3978 179.6713 43 T 3.7888 8.0540 114.0338 66.9560 68.6519 176.8939 44 K 3.9761 7.9786 120.2304 59.6061 31.9945 179.5432 45 T 3.8770 7.8734 110.1139 64.6519 68.7346 176.6538 46 L 3.9339 7.8806 121.9284 57.7362 41.5291 179.2290 47 N 4.3458 8.0434 114.6898 55.9581 38.5413 176.6833 48 R 4.4081 7.6779 116.4424 55.0095 30.9093 176.3385 49 G 3.8908 7.9905 106.9657 47.1085 0.0000 174.0527 50 I 4.5187 7.9469 110.2599 60.1984 39.0452 174.2113 51 S 4.9224 8.0149 116.8458 57.7977 63.1159 173.6932 52 E 4.4200 9.3851 127.6386 58.9388 30.0220 176.6128 53 F 4.9356 7.0500 111.2122 56.4037 41.0218 172.7443 54 I 4.7977 8.5484 120.2713 59.4843 40.4044 174.8315 55 V 4.9076 8.5343 125.8671 61.4211 34.2259 174.2833 56 M 5.1974 8.8674 126.1622 53.4011 36.5809 174.0210 57 A 5.1660 8.9927 122.2124 50.3573 20.2972 178.4809 58 A 4.1617 9.8402 127.5862 54.5473 18.5911 177.6954 59 D 4.8220 7.6803 114.7537 52.8413 39.8377 175.9851 60 A 4.1426 7.9311 123.6949 53.0336 18.6502 177.2563 61 E 4.7350 8.6335 122.7298 53.6947 32.2106 174.3359 62 P 4.5603 0.0000 0.0000 61.8480 32.8105 177.0532 63 L 4.3830 8.7711 122.6655 57.4796 41.7547 178.8232 64 E 4.2343 8.1959 116.7701 58.2349 29.5146 178.1219 65 I 4.0497 7.6828 113.6866 62.5031 37.9232 176.0794 66 I 4.6590 7.7788 112.0371 59.7721 37.5113 176.5889 67 L 4.3380 7.8469 121.9645 56.7797 41.2788 178.3592 68 H 4.4795 8.2296 115.9333 58.2202 28.6555 177.3071 69 L 3.7318 7.5578 121.8855 57.2819 41.3830 177.6101 70 P 3.1765 0.0000 0.0000 65.1259 31.3204 178.5365 71 L 3.9323 7.2092 115.6900 57.8019 41.4242 179.6427 72 L 3.9643 8.1107 119.0685 58.0756 41.5074 179.2602 73 C 4.1134 8.4263 116.9353 62.9351 27.8810 176.1698 74 E 4.0304 8.4432 120.2594 59.4821 28.8433 178.7740 75 D 4.4671 7.6811 117.4975 57.0783 41.0418 178.4916 76 K 4.3601 7.4491 114.8926 54.6207 33.6584 175.8172 77 N 4.1329 7.6727 117.3040 54.9933 37.6053 174.0715 78 V 4.5432 8.0112 116.7808 60.3841 34.6339 174.3903 79 P 4.6554 0.0000 0.0000 62.8797 32.4289 174.8546 80 Y 5.4945 7.9230 120.4675 55.7651 41.2593 174.4645 81 V 4.5570 8.7507 113.1304 60.1881 37.0964 173.7003 82 F 5.2913 9.2240 120.8104 56.0924 41.5852 175.5483 83 V 4.7659 8.7014 115.2176 59.5076 34.4427 177.0972 84 R 3.8726 8.7421 121.1749 58.5640 31.4825 176.7423 85 S 5.1270 8.1423 113.3802 54.6550 64.4585 174.4991 86 K 4.3098 9.1167 130.1814 59.2821 32.2598 179.1060 87 Q 3.9203 8.0700 120.4317 59.0810 29.1263 177.8421 88 A 3.9996 8.1166 121.8069 55.0622 18.4565 179.2623 89 L 4.0413 8.0789 119.0443 58.3910 42.1637 179.5520 90 G 3.7062 7.9873 106.4850 47.0805 0.0000 175.5700 91 R 3.9077 8.1004 120.8473 59.2541 29.9467 178.4209 92 A 4.1412 8.5718 120.4347 54.4074 18.1346 178.2278 93 C 4.5615 7.8682 113.9604 58.7715 28.3454 173.6378 94 G 4.0023 7.7545 108.3911 46.5624 0.0000 173.9690 95 V 4.4811 7.7879 117.6007 60.7691 34.1126 174.8948 96 S 4.8074 8.4645 118.6266 57.8893 63.2094 173.8704 97 R 4.6613 7.4997 117.6850 54.9196 33.9336 173.0048 98 P 4.5167 0.0000 0.0000 63.0343 32.1324 176.0746 99 V 4.5571 8.4875 119.5502 61.4360 34.2274 175.8870 100 I 4.4044 8.5720 120.0816 61.8641 39.3531 175.0132 101 A 5.0608 7.5987 122.8830 51.3355 22.4937 174.8676 102 C 5.1235 9.1632 116.1051 57.0537 34.3377 172.8290 103 S 4.7835 9.0398 113.7230 56.5564 65.4007 172.8035 104 V 4.2599 7.7097 128.0812 62.6297 32.6490 174.8312 105 T 5.0173 8.5203 118.2603 59.7871 71.5011 174.0295 106 I 3.7767 8.2683 125.4189 61.4807 37.9769 175.7852 107 K 4.3531 8.4993 127.1913 54.1009 34.4227 174.7843 108 E 4.0261 8.8530 127.9213 57.8821 29.7338 176.8366 109 G 3.8816 8.9297 113.8102 45.2556 0.0000 172.9474 110 S 4.0138 7.8110 114.6486 58.7503 62.4538 175.2850 111 Q 4.1006 8.7666 126.0647 57.8666 28.6514 177.4082 112 L 4.4230 7.7933 117.6545 53.9958 42.1976 177.8345 113 K 3.8394 7.9338 120.6736 60.0132 32.0773 178.9179 114 Q 4.0174 7.9350 117.2989 59.0971 28.6876 178.6867 115 Q 4.0069 7.9320 118.6173 58.7111 28.7541 178.5783 116 I 3.7453 8.1259 121.3673 64.4569 37.2388 178.0919 117 Q 4.4207 8.4444 122.1448 58.7050 28.8037 178.4862 118 S 4.0199 7.9085 114.0086 61.4729 62.4640 176.2608 119 I 3.5491 7.7778 122.5694 64.0968 36.6812 178.2433 120 Q 3.7975 8.0369 119.2383 59.1302 28.4808 179.1313 121 Q 3.9231 7.8523 118.5992 59.0870 28.5469 178.9020 122 S 4.0554 7.7153 114.6768 61.8502 63.1538 176.7960 123 I 3.6963 7.9941 122.3848 64.4030 36.5967 178.1573 124 E 3.8711 8.5836 120.6074 58.7263 29.1579 178.0690 125 R 4.1534 7.4736 113.4395 56.8698 30.3853 177.6058 126 L 4.3079 7.7756 120.5822 57.1012 42.0376 178.0753 127 L 4.0943 7.0408 114.8194 54.5723 41.3864 177.3495 128 V 3.6508 7.4807 124.6903 63.4226 33.0704 171.9498 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 3 E 8.44 4.33 0.00 2.09 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 2.17 2.32 0.00 4 A 7.48 4.19 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 5 D 7.26 4.15 0.00 2.85 2.83 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 6 V 7.80 4.40 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 0.74 0.00 0.00 0.93 0.00 0.00 7 N 8.78 4.28 0.00 2.72 2.62 0.00 0.00 7.15 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 P 0.00 4.33 0.00 2.05 2.08 0.00 3.69 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 2.00 2.05 0.00 9 K 7.57 4.06 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 10 A 7.33 2.84 0.79 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 11 Y 7.21 4.67 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 3.91 0.00 1.77 1.18 0.00 3.64 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.44 0.00 13 L 8.12 5.14 0.00 1.81 1.58 0.98 1.03 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 14 A 8.59 4.35 1.23 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 15 D 8.53 4.60 0.00 2.86 2.82 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 16 A 8.34 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.97 4.26 0.00 3.19 3.32 0.00 5.64 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 18 L 9.02 3.96 0.00 1.70 1.71 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.17 3.85 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 1.23 0.00 0.00 20 K 7.99 3.90 0.00 1.97 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 21 K 7.84 3.90 0.00 1.97 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 22 L 8.35 3.98 0.00 1.90 1.77 0.81 0.62 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 23 L 8.23 4.16 0.00 1.70 1.74 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.17 4.36 0.00 2.96 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 25 L 8.14 4.07 0.00 1.79 1.89 0.97 0.83 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 26 V 8.47 3.71 2.13 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 1.00 0.00 0.00 1.04 0.00 0.00 27 Q 8.24 4.25 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 28 Q 8.20 4.14 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 29 S 8.63 4.20 0.00 4.01 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 30 C 8.02 4.09 0.00 3.10 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 31 N 8.01 4.32 0.00 3.00 2.72 0.00 0.00 7.11 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 32 Y 8.20 4.39 0.00 2.98 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 33 K 8.05 3.96 0.00 1.95 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.53 7.81 34 Q 8.70 4.83 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 35 L 8.09 5.08 0.00 1.56 1.47 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.08 4.65 0.00 1.65 1.76 0.00 3.39 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 37 K 8.52 4.67 0.00 1.60 1.71 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.39 7.81 38 G 9.07 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 39 A 8.95 3.98 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 40 N 8.13 4.26 0.00 2.74 2.88 0.00 0.00 7.13 7.66 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 41 E 8.15 3.97 0.00 1.99 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 2.39 2.36 0.00 42 A 8.45 3.95 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 43 T 8.05 3.79 4.41 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 1.25 0.00 0.00 44 K 7.98 3.98 0.00 2.01 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 45 T 7.87 3.88 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 1.21 0.00 0.00 46 L 7.88 3.93 0.00 1.86 1.74 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.04 4.35 0.00 2.69 2.90 0.00 0.00 7.09 7.28 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 48 R 7.68 4.41 0.00 1.89 1.96 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 49 G 7.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.95 4.52 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.96 0.00 0.00 51 S 8.01 4.92 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.39 4.42 0.00 1.86 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 53 F 7.05 4.94 0.00 3.21 3.07 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 54 I 8.55 4.80 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.17 0.83 0.00 0.00 55 V 8.53 4.91 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 1.03 0.00 0.00 1.13 0.00 0.00 56 M 8.87 5.20 0.00 1.72 0.94 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 57 A 8.99 5.17 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 58 A 9.84 4.16 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 59 D 7.68 4.82 0.00 2.69 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 60 A 7.93 4.14 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 61 E 8.63 4.73 0.00 1.94 1.86 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 2.20 2.44 0.00 62 P 0.00 4.56 0.00 2.42 2.18 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 2.08 1.96 0.00 63 L 8.77 4.38 0.00 1.75 1.74 0.83 1.23 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 64 E 8.20 4.23 0.00 2.22 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 0.00 2.38 2.32 0.00 65 I 7.68 4.05 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.64 1.00 0.00 0.00 66 I 7.78 4.66 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.94 0.00 0.00 67 L 7.85 4.34 0.00 1.71 1.80 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.23 4.48 0.00 3.34 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.56 3.73 0.00 1.63 1.56 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 3.18 0.00 1.98 1.49 0.00 3.66 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 2.17 2.01 0.00 71 L 7.21 3.93 0.00 1.82 1.71 0.93 0.60 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 72 L 8.11 3.96 0.00 1.82 1.66 0.93 1.01 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 73 C 8.43 4.11 0.00 2.87 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 74 E 8.44 4.03 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 75 D 7.68 4.47 0.00 2.84 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 76 K 7.45 4.36 0.00 1.68 1.83 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.68 7.81 77 N 7.67 4.13 0.00 2.76 2.82 0.00 0.00 6.80 7.60 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 78 V 8.01 4.54 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 0.91 0.00 0.00 0.98 0.00 0.00 79 P 0.00 4.66 0.00 2.17 1.91 0.00 3.86 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 2.16 2.26 0.00 80 Y 7.92 5.49 0.00 2.82 2.82 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 81 V 8.75 4.56 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 0.61 0.00 0.00 0.91 0.00 0.00 82 F 9.22 5.29 0.00 3.09 2.98 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 83 V 8.70 4.77 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 0.86 0.00 0.00 1.05 0.00 0.00 84 R 8.74 3.87 0.00 1.79 2.00 0.00 3.07 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 85 S 8.14 5.13 0.00 3.82 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 86 K 9.12 4.31 0.00 2.15 2.09 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.32 7.81 87 Q 8.07 3.92 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 88 A 8.12 4.00 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 89 L 8.08 4.04 0.00 1.93 1.82 0.94 0.96 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 G 7.99 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 91 R 8.10 3.91 0.00 2.09 2.13 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 92 A 8.57 4.14 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 93 C 7.87 4.56 0.00 3.11 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 94 G 7.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.79 4.48 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 0.93 0.00 0.00 0.93 0.00 0.00 96 S 8.46 4.81 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.50 4.66 0.00 1.84 1.80 0.00 3.14 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 98 P 0.00 4.52 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 99 V 8.49 4.56 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 1.03 0.00 0.00 0.98 0.00 0.00 100 I 8.57 4.40 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.94 0.00 0.00 101 A 7.60 5.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 C 9.16 5.12 0.00 3.06 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 0.00 103 S 9.04 4.78 0.00 3.73 3.60 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 0.00 104 V 7.71 4.26 0.81 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 0.76 0.00 0.00 0.60 0.00 0.00 105 T 8.52 5.02 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 1.15 0.00 0.00 106 I 8.27 3.78 1.86 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 1.12 0.59 0.91 0.00 0.00 107 K 8.50 4.35 0.00 1.72 1.61 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 108 E 8.85 4.03 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 109 G 8.93 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 S 7.81 4.01 0.00 4.00 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 0.00 111 Q 8.77 4.10 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 112 L 7.79 4.42 0.00 1.54 1.57 0.45 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.93 3.84 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.65 7.81 114 Q 7.93 4.02 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 115 Q 7.93 4.01 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 116 I 8.13 3.75 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.83 1.20 0.00 0.00 117 Q 8.44 4.42 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 118 S 7.91 4.02 0.00 3.91 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 0.00 119 I 7.78 3.55 1.55 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 1.48 0.45 0.05 0.00 0.00 120 Q 8.04 3.80 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 121 Q 7.85 3.92 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 122 S 7.72 4.06 0.00 3.89 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 0.00 123 I 7.99 3.70 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.76 0.00 0.00 124 E 8.58 3.87 0.00 2.15 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 0.00 2.29 2.34 0.00 125 R 7.47 4.15 0.00 1.94 1.98 0.00 3.08 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 126 L 7.78 4.31 0.00 1.59 1.57 0.80 0.39 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 0.00 127 L 7.04 4.09 0.00 1.57 1.67 0.59 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.48 3.65 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 0.69 0.00 0.00 1.06 0.00 0.00