NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3892 8.3049 120.3229 55.1488 33.3961 174.3591 1 I 4.2091 8.2387 124.0887 59.2946 38.7490 173.3285 2 Q 5.0858 9.3605 125.4478 54.3165 32.2658 175.0264 3 R 4.7759 9.1451 121.0581 54.7380 34.4804 174.4601 4 T 5.0263 8.8801 117.8493 59.9956 68.5065 172.4371 5 P 4.8494 0.0000 0.0000 62.9218 32.3498 176.0112 6 K 4.5012 9.3483 122.2033 56.2003 33.9017 175.9783 7 I 5.1675 8.2267 122.5679 59.8784 40.7880 174.6748 8 Q 4.8721 9.4874 125.5635 54.0592 32.5165 174.5309 9 V 5.0334 8.5677 122.9104 61.4639 34.1169 173.8478 10 Y 5.2119 8.3050 124.7157 56.6947 41.7139 173.1766 11 S 4.9629 8.8536 114.2552 56.7311 64.9518 174.3780 12 R 4.1004 8.9468 122.6918 59.4430 30.0438 176.4200 13 H 5.1226 8.3134 113.3657 52.6882 31.7406 172.1513 14 P 4.3397 0.0000 0.0000 62.8831 31.6052 176.4629 15 A 4.2963 8.7487 125.9733 52.2450 19.2540 176.7087 16 E 4.6047 8.5712 121.3485 54.1857 32.7325 174.9767 17 N 4.6341 8.8385 121.7830 55.1444 38.9757 175.6111 18 G 3.9283 9.1120 110.8555 45.0753 0.0000 172.9714 19 K 4.5496 7.4811 118.8025 53.9355 34.3345 176.3038 20 S 4.2194 8.5988 119.8435 58.6609 63.2973 172.6215 21 N 5.0318 8.6515 122.8097 53.0732 42.8350 172.1292 22 F 5.2567 8.9823 116.4875 55.6638 42.7992 174.1258 23 L 3.9032 8.5856 126.0903 53.7010 43.2997 174.8263 24 N 5.3372 8.7391 123.9329 51.5120 41.7261 173.1145 25 C 5.2024 9.5023 122.3097 55.1666 47.7727 171.9822 26 Y 5.4527 9.4282 129.4116 56.4722 40.1123 174.4411 27 V 4.9913 8.5794 121.0720 59.8007 34.3341 175.3983 28 S 4.9791 8.9505 118.6807 57.8449 66.9486 174.7613 29 G 4.3706 8.5257 106.6886 46.9301 0.0000 173.4369 30 F 5.3065 7.4878 114.3292 55.8958 40.8675 174.1987 31 H 5.3219 9.0556 118.6222 54.7564 33.7229 171.7853 32 P 5.0833 0.0000 0.0000 62.2317 32.2667 176.3394 33 S 4.0284 8.4346 113.3149 60.4158 63.1374 174.4324 34 D 4.4348 7.9001 121.7854 54.3942 40.9052 175.1686 35 I 4.6053 7.9935 122.9473 59.6742 41.3510 172.9542 36 E 4.5666 8.9640 129.5625 54.3977 31.6886 174.7236 37 V 4.5414 7.9986 126.0091 61.1766 34.2959 174.0159 38 D 4.9717 8.9529 127.1900 52.4290 44.8908 174.6445 39 L 5.0370 8.3349 121.0377 53.2943 44.1951 175.3227 40 L 5.2226 9.1243 123.2774 52.7862 45.1159 175.3974 41 K 4.3374 8.8255 123.9451 54.6589 34.7424 175.7830 42 N 4.2059 9.7121 127.0103 54.3462 36.6270 175.7378 43 G 3.9502 8.4851 104.6436 45.3368 0.0000 173.6679 44 E 4.6175 7.7780 119.7144 53.7564 31.6322 175.5415 45 R 4.2394 8.5202 122.8521 56.8384 30.5264 175.9641 46 I 4.1122 8.4294 126.9837 61.0322 37.9850 176.0635 47 E 4.0295 8.8468 124.9024 58.8182 29.6632 177.1562 48 K 4.2522 7.7330 121.1432 54.8733 30.9568 174.4989 49 V 4.5612 7.8792 123.3803 60.6887 34.4635 173.9650 50 E 4.7073 8.5024 126.2153 54.8260 33.0243 174.2730 51 H 5.2618 7.7595 114.9566 53.8811 31.4665 173.3471 52 S 4.5395 8.7403 115.1819 58.0989 63.9972 173.6593 53 D 4.4727 8.5116 120.7774 53.6888 41.2248 176.3009 54 L 4.0009 8.4755 125.5595 56.0606 42.6987 175.8139 55 S 4.7373 8.1841 119.5702 57.0229 66.7284 171.7143 56 F 5.2144 7.5572 114.9881 55.8179 41.0502 174.0918 57 S 4.7332 9.0810 116.7042 56.7342 64.7761 175.1906 58 K 3.5876 8.5087 121.5905 59.8266 31.7387 177.1268 59 D 4.4190 7.8010 114.9358 53.0897 39.3592 177.0522 60 W 3.6399 7.7083 119.2577 56.8058 28.2066 174.6374 61 S 4.3621 8.2292 114.2114 58.1082 63.9007 173.9725 62 F 5.0270 8.5494 121.3334 57.1740 40.2622 174.2158 63 Y 5.3558 8.1994 117.7913 55.8355 41.7787 173.9884 64 L 5.1301 9.5157 120.6256 53.3125 47.0330 174.6814 65 L 5.4573 9.2784 125.0967 53.9353 44.2039 174.5588 66 Y 5.2179 9.4115 125.0174 56.8585 40.4855 174.4238 67 Y 5.4028 8.4910 119.9556 56.4536 41.9786 173.4564 68 T 4.9786 8.7600 114.7739 60.5593 71.4518 172.6619 69 E 4.0324 8.6362 127.3050 56.2298 30.3224 176.0849 70 F 4.7897 9.0120 117.1424 56.1920 41.8662 173.3035 71 T 4.4789 8.1879 118.0289 60.9348 70.0140 172.3042 72 P 4.6757 0.0000 0.0000 63.3678 32.6297 175.5320 73 T 5.1041 8.4994 116.2116 61.7246 72.9543 174.8197 74 E 3.9546 9.0279 121.9935 59.5839 29.4996 178.8386 75 K 4.1992 7.9466 117.4219 58.2708 32.8672 176.7032 76 D 4.7517 7.5165 117.7570 53.9958 41.6226 175.2484 77 E 5.0268 9.1678 121.9009 54.9955 32.9151 174.6868 78 Y 5.3776 8.7442 118.1018 56.7233 42.8998 173.9727 79 A 5.1464 8.9867 121.9602 51.2145 23.8461 174.0020 80 C 5.2801 9.3547 119.4504 54.8013 46.9477 172.4811 81 R 5.0754 9.0882 126.9390 54.6040 32.0175 174.6250 82 V 4.7601 8.7908 126.3345 61.0139 34.7683 173.5962 83 N 5.3226 8.9662 125.8391 52.3260 42.3225 172.3511 84 H 5.1304 8.4245 122.7980 54.7160 33.2044 174.4695 85 V 3.6473 8.1473 121.9142 64.7054 31.3417 177.3518 86 T 4.1572 7.9724 109.0812 62.4214 69.2878 173.5217 87 L 4.8877 7.4791 123.5896 52.8301 43.1779 176.9449 88 S 4.3091 8.7109 118.8211 60.6913 63.4250 174.0709 89 Q 4.5889 7.5541 116.4216 53.4853 31.2246 172.2872 90 P 4.5090 0.0000 0.0000 63.1169 32.3261 175.4700 91 K 4.4944 9.1344 124.7721 54.8749 34.2089 174.7332 92 I 4.7731 8.3830 128.4011 59.7664 38.9181 175.0488 93 V 4.3765 8.7640 127.9887 60.7714 33.5057 174.8042 94 K 4.7026 8.7310 129.5137 55.8520 33.2374 175.9302 95 W 4.6004 9.3433 135.0000 57.3294 31.5526 174.8517 96 D 4.5483 8.7679 127.1384 52.0412 41.5786 176.5886 97 R 3.8875 7.7771 123.5210 57.9700 29.4200 176.8091 98 D 4.9739 8.0835 118.0988 54.2480 41.3318 176.1361 99 M 4.4077 8.1550 125.2374 55.6478 32.8571 175.2789 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 0 M 8.30 4.39 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 1 I 8.24 4.21 1.81 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 1.38 0.16 0.92 0.00 0.00 2 Q 9.36 5.09 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 3 R 9.15 4.78 0.00 1.85 1.94 0.00 3.17 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 4 T 8.88 5.03 4.30 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 1.25 0.00 0.00 5 P 0.00 4.85 0.00 2.01 1.76 0.00 3.78 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 6 K 9.35 4.50 0.00 1.74 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 7 I 8.23 5.17 1.92 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 1.32 0.60 0.96 0.00 0.00 8 Q 9.49 4.87 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 9 V 8.57 5.03 2.31 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 0.94 0.00 0.00 1.08 0.00 0.00 10 Y 8.30 5.21 0.00 3.20 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 11 S 8.85 4.96 0.00 4.26 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 12 R 8.95 4.10 0.00 1.79 2.16 0.00 3.08 0.00 0.00 3.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.44 0.00 13 H 8.31 5.12 0.00 3.32 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.34 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 15 A 8.75 4.30 1.61 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 16 E 8.57 4.60 0.00 1.98 1.82 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 2.31 2.52 0.00 17 N 8.84 4.63 0.00 2.72 2.79 0.00 0.00 7.29 7.65 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 18 G 9.11 3.93 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 0.00 19 K 7.48 4.55 0.00 1.75 1.67 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 20 S 8.60 4.22 0.00 3.79 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 21 N 8.65 5.03 0.00 2.59 2.42 0.00 0.00 6.95 8.34 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 22 F 8.98 5.26 0.00 2.95 2.86 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 23 L 8.59 3.90 0.00 0.27 0.72 -0.38 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.74 5.34 0.00 1.44 2.04 0.00 0.00 5.96 7.96 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 25 C 9.50 5.20 0.00 2.87 2.95 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 26 Y 9.43 5.45 0.00 3.41 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 27 V 8.58 4.99 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 0.63 0.00 0.00 1.11 0.00 0.00 28 S 8.95 4.98 0.00 3.85 3.35 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 29 G 8.53 4.37 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 0.00 30 F 7.49 5.31 0.00 2.95 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 31 H 9.06 5.32 0.00 3.30 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.08 0.00 2.16 2.18 0.00 3.90 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 2.01 2.00 0.00 33 S 8.43 4.03 0.00 3.27 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.43 0.00 2.67 2.64 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 35 I 7.99 4.61 1.50 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.56 0.87 0.00 0.00 36 E 8.96 4.57 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 37 V 8.00 4.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.46 0.00 0.00 38 D 8.95 4.97 0.00 2.50 2.44 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 39 L 8.33 5.04 0.00 1.56 1.52 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.12 5.22 0.00 1.52 1.52 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.83 4.34 0.00 1.76 1.57 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.08 0.60 7.81 42 N 9.71 4.21 0.00 2.78 2.80 0.00 0.00 7.18 8.14 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 43 G 8.49 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 44 E 7.78 4.62 0.00 2.15 1.82 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 2.21 2.18 0.00 45 R 8.52 4.24 0.00 1.75 1.85 0.00 3.41 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 I 8.43 4.11 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.93 0.00 0.00 47 E 8.85 4.03 0.00 1.96 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 2.31 2.29 0.00 48 K 7.73 4.25 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.41 7.81 49 V 7.88 4.56 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 0.96 0.00 0.00 0.95 0.00 0.00 50 E 8.50 4.71 0.00 1.16 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 2.07 2.04 0.00 51 H 7.76 5.26 0.00 2.33 1.85 0.00 5.53 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.74 4.54 0.00 3.99 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 53 D 8.51 4.47 0.00 2.70 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 0.00 0.00 0.00 0.00 54 L 8.48 4.00 0.00 1.61 1.60 0.78 0.57 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 55 S 8.18 4.74 0.00 3.50 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 56 F 7.56 5.21 0.00 2.83 2.53 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 0.00 0.00 0.00 0.00 57 S 9.08 4.73 0.00 4.09 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 58 K 8.51 3.59 0.00 1.59 1.74 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.25 7.81 59 D 7.80 4.42 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 7.71 3.64 0.00 3.32 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 61 S 8.23 4.36 0.00 4.05 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 62 F 8.55 5.03 0.00 1.62 2.45 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 63 Y 8.20 5.36 0.00 3.02 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 64 L 9.52 5.13 0.00 1.91 1.64 1.17 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 65 L 9.28 5.46 0.00 2.08 1.73 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.41 5.22 0.00 2.96 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 67 Y 8.49 5.40 0.00 3.07 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 68 T 8.76 4.98 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 69 E 8.64 4.03 0.00 1.64 1.56 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 1.47 1.47 0.00 70 F 9.01 4.79 0.00 2.93 2.77 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 71 T 8.19 4.48 4.16 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 1.18 0.00 0.00 72 P 0.00 4.68 0.00 2.29 2.32 0.00 3.46 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 73 T 8.50 5.10 4.53 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 0.00 0.00 0.00 1.29 0.00 0.00 74 E 9.03 3.95 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 75 K 7.95 4.20 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.52 7.81 76 D 7.52 4.75 0.00 2.84 2.43 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 77 E 9.17 5.03 0.00 1.84 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 2.25 2.25 0.00 78 Y 8.74 5.38 0.00 3.19 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 79 A 8.99 5.15 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 80 C 9.35 5.28 0.00 2.95 2.92 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 81 R 9.09 5.08 0.00 1.82 1.69 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 82 V 8.79 4.76 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 0.68 0.00 0.00 0.80 0.00 0.00 83 N 8.97 5.32 0.00 2.78 2.53 0.00 0.00 6.28 8.75 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 84 H 8.42 5.13 0.00 3.06 3.02 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.15 3.65 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 0.69 0.00 0.00 0.91 0.00 0.00 86 T 7.97 4.16 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 1.34 0.00 0.00 87 L 7.48 4.89 0.00 1.66 1.81 0.94 0.95 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 88 S 8.71 4.31 0.00 3.98 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 89 Q 7.55 4.59 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 90 P 0.00 4.51 0.00 1.93 2.00 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 K 9.13 4.49 0.00 1.80 1.63 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.43 7.81 92 I 8.38 4.77 1.88 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 1.22 1.00 0.93 0.00 0.00 93 V 8.76 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 1.09 0.00 0.00 0.97 0.00 0.00 94 K 8.73 4.70 0.00 1.87 1.75 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.59 7.81 95 W 9.34 4.60 0.00 3.27 3.39 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 96 D 8.77 4.55 0.00 2.67 2.52 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 97 R 7.78 3.89 0.00 1.79 0.82 0.00 2.56 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.50 0.00 98 D 8.08 4.97 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 4.41 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00