NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3594 8.3044 120.3460 55.4597 32.2204 173.2569 2 I 4.2193 8.0018 124.9614 58.5396 39.7003 173.1593 3 Q 5.0631 9.3256 127.2362 54.3625 32.5605 174.7293 4 R 4.7385 9.0441 120.8605 54.5570 34.3882 174.5186 5 T 4.5308 8.7363 119.2560 61.0890 68.1872 172.1192 6 P 4.8229 0.0000 0.0000 63.0651 32.0644 176.0030 7 K 4.5337 9.4869 123.7758 55.8544 33.7644 175.9164 8 I 5.1770 8.1870 122.6121 59.9933 41.4363 175.2464 9 Q 4.5616 8.9170 123.8077 55.0571 33.1431 173.7890 10 V 4.8851 8.8298 125.3895 61.7226 33.1025 173.8794 11 Y 5.3561 8.5761 127.7697 56.0648 41.4326 173.8098 12 S 5.0665 8.9776 111.9795 57.1009 65.8422 174.1010 13 R 4.1357 9.0455 123.0684 59.5664 29.9000 176.3802 14 H 5.1170 8.4147 113.5199 52.6921 31.8055 172.0972 15 P 4.2786 0.0000 0.0000 62.8993 31.5808 176.4203 16 A 4.1507 8.8315 126.0006 52.5443 19.0732 176.4634 17 E 4.5086 8.5506 122.3305 54.1896 31.9440 174.2218 18 N 4.4215 8.8895 123.7363 55.3762 38.9374 175.7377 19 G 3.9669 8.8961 110.4970 45.1387 0.0000 173.1515 20 K 4.6141 7.4101 118.8546 54.0493 34.4264 176.5366 21 S 4.1264 8.6436 120.5130 59.4131 63.4966 173.0974 22 N 5.0964 9.0561 122.1271 52.3371 43.3023 171.9946 23 F 5.0967 8.8326 116.6486 55.5691 42.6265 174.2412 24 L 3.9529 8.9972 126.9796 54.0245 43.2520 174.9022 25 N 5.3384 8.8721 123.9873 51.3902 41.9316 172.6577 26 C 5.3150 9.2967 124.1064 55.1292 40.9676 171.9712 27 Y 5.3698 9.3935 129.8159 56.5693 39.9717 174.4240 28 V 4.8775 8.5624 121.2821 59.7944 34.1951 175.5383 29 S 5.0469 8.8533 119.1520 57.5500 66.9627 175.0659 30 G 3.9222 8.6615 106.5973 45.8053 0.0000 173.9042 31 F 4.9391 7.5355 115.1397 56.8427 40.1193 173.8293 32 H 5.0691 8.7053 114.8308 55.0352 33.8815 172.3131 33 P 5.0558 0.0000 0.0000 62.2852 32.4283 176.0794 34 S 3.8629 8.6536 113.5295 61.4385 62.5898 174.4734 35 D 4.3158 7.8265 120.2764 54.6323 40.6852 175.8580 36 I 4.5184 7.8319 121.9747 59.9618 41.1836 173.1158 37 E 4.5871 8.9531 127.3191 54.4413 32.4306 174.9747 38 V 4.5986 7.9275 123.9843 60.9375 33.9962 174.2419 39 D 4.9377 9.2201 126.7920 52.4193 45.1631 174.5450 40 L 4.8115 8.3545 121.3537 53.2719 43.8501 175.2188 41 L 4.9615 9.1504 124.7274 53.1718 44.0213 175.8422 42 K 4.1744 8.7465 124.5349 54.2281 33.6223 175.4630 43 N 3.9931 9.3106 128.3945 54.1331 36.0959 174.9892 44 G 4.3533 8.3220 111.5430 45.9306 0.0000 174.2111 45 E 4.0891 7.5706 118.9589 55.6996 30.1910 175.6965 46 R 4.6152 8.2340 122.6688 55.8952 31.0417 175.9140 47 I 3.7139 8.7433 128.2971 62.7228 37.5203 174.2337 48 E 4.0100 9.2755 127.4254 57.7665 29.3501 178.4614 49 K 3.9913 9.1450 129.7311 57.3765 32.8438 176.4118 50 V 4.4557 8.0472 123.3219 61.0300 34.6032 174.5589 51 E 4.6373 8.5167 126.3228 55.2158 32.0378 174.6239 52 H 5.1422 7.9598 116.1815 53.6538 31.3759 173.3004 53 S 4.4883 9.1513 117.2125 58.1589 63.9497 173.5740 54 D 4.4576 8.4680 120.1552 53.6004 41.2215 176.2209 55 L 4.0675 8.4849 125.1916 55.8082 42.7125 175.6300 56 S 4.9029 8.2045 119.3128 56.5541 66.6175 171.9957 57 F 5.4017 7.6649 115.0574 55.4161 40.7248 174.6441 58 S 4.6041 8.9527 116.1335 56.6154 64.9563 174.6370 59 K 3.3212 8.6553 121.0113 59.7828 31.4540 177.0560 60 D 4.2816 7.7195 113.3335 53.3340 39.0407 176.8313 61 W 3.6738 7.6965 118.4427 57.1308 27.7012 174.6205 62 S 4.1982 8.0914 116.4047 58.3740 62.9523 173.7603 63 F 5.1394 8.3149 123.9232 57.4870 40.5334 174.2127 64 Y 5.5026 8.2967 118.3343 56.0911 41.6614 173.7404 65 L 5.2887 9.9128 121.3133 53.2616 47.3161 175.2007 66 L 5.2313 9.2522 122.1081 54.0859 45.0175 174.5753 67 Y 5.2345 9.1680 124.9305 56.8122 40.3717 174.6311 68 Y 5.8513 8.5348 120.1136 56.9324 42.0216 173.3852 69 T 4.8842 8.3028 113.6585 60.6564 71.4138 171.8570 70 E 3.9450 8.5368 127.7423 55.5835 30.5206 175.3882 71 F 5.0003 9.0588 121.0269 55.5245 42.4624 173.5260 72 T 4.3971 8.0875 114.2085 60.8064 71.1065 172.6159 73 P 4.7120 0.0000 0.0000 63.9366 32.8480 175.2930 74 T 4.6792 8.2848 116.2446 63.3732 72.3459 174.1546 75 E 4.1506 9.0466 122.2329 59.6413 29.9039 179.0928 76 K 4.1114 8.0769 116.6145 59.7351 33.0136 177.4358 77 D 4.5126 8.2248 119.8108 54.2102 41.1453 175.0856 78 E 5.0236 9.5013 123.1259 54.7847 32.2213 174.6787 79 Y 5.3793 9.1057 119.2834 56.5660 42.3176 174.1655 80 A 5.2832 9.0944 122.9483 51.1685 23.9840 173.8874 81 C 5.2473 9.5105 118.5412 54.9961 42.3890 172.5473 82 R 4.9681 8.9414 127.3278 54.8049 31.7230 174.8723 83 V 4.6580 9.1852 126.4968 61.1807 34.4489 173.4071 84 N 5.2320 9.0752 127.3791 52.2003 41.5913 172.7406 85 H 5.1635 8.5075 123.5724 54.4998 33.5471 174.0364 86 V 3.5321 8.4295 122.5771 65.2626 30.7535 177.6444 87 T 4.0705 7.8237 106.3167 61.8485 68.5903 173.4443 88 L 4.6739 7.7110 123.6670 52.8708 43.1178 176.4236 89 S 4.2882 8.9098 119.3976 60.7594 63.0820 174.6170 90 Q 4.6412 7.5671 116.9660 52.5193 32.4370 172.8674 91 P 4.4288 0.0000 0.0000 63.0800 32.1729 175.8784 92 K 4.4530 8.8752 122.0730 55.8392 34.0363 176.0983 93 I 4.9821 8.1857 123.3542 59.8393 40.4473 174.6237 94 V 4.3767 8.6529 128.1844 61.0136 33.3505 175.0966 95 K 4.6186 8.6602 127.3493 55.7593 33.2077 176.2602 96 W 4.5430 9.0581 135.0000 56.9878 31.4564 174.9990 97 D 4.3771 8.5686 127.4739 51.9957 41.2891 176.6976 98 R 3.6502 7.4515 124.2259 58.2344 29.2196 176.4739 99 D 4.9827 7.8846 116.9596 53.9049 41.8053 175.2454 100 M 4.3986 8.3765 123.2112 55.2220 33.1972 174.8376 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 8.30 4.36 0.00 1.97 2.09 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 2.49 2.60 0.00 2 I 8.00 4.22 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.84 0.00 0.00 3 Q 9.33 5.06 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.46 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 4 R 9.04 4.74 0.00 1.81 2.02 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 T 8.74 4.53 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 1.26 0.00 0.00 6 P 0.00 4.82 0.00 2.00 1.86 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 7 K 9.49 4.53 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 8 I 8.19 5.18 1.91 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 1.33 0.61 0.96 0.00 0.00 9 Q 8.92 4.56 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 10 V 8.83 4.89 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.08 0.00 0.00 11 Y 8.58 5.36 0.00 3.13 3.16 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 12 S 8.98 5.07 0.00 4.27 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 13 R 9.05 4.14 0.00 1.85 2.06 0.00 2.96 0.00 0.00 2.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.42 0.00 14 H 8.41 5.12 0.00 3.24 3.20 0.00 5.74 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 15 P 0.00 4.28 0.00 2.10 2.10 0.00 3.79 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 2.19 0.00 16 A 8.83 4.15 1.62 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 17 E 8.55 4.51 0.00 2.01 1.77 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 2.26 2.38 0.00 18 N 8.89 4.42 0.00 2.77 2.81 0.00 0.00 7.26 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 19 G 8.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.41 4.61 0.00 1.59 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 21 S 8.64 4.13 0.00 3.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.06 5.10 0.00 2.28 2.10 0.00 0.00 6.63 7.95 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 23 F 8.83 5.10 0.00 3.05 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 24 L 9.00 3.95 0.00 0.27 1.04 -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.87 5.34 0.00 1.44 2.02 0.00 0.00 5.97 7.76 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 26 C 9.30 5.31 0.00 2.94 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 27 Y 9.39 5.37 0.00 3.44 3.24 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 28 V 8.56 4.88 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 1.08 0.00 0.00 29 S 8.85 5.05 0.00 3.78 3.40 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 30 G 8.66 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 0.00 0.00 0.00 31 F 7.54 4.94 0.00 2.95 3.17 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 32 H 8.71 5.07 0.00 3.32 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.06 0.00 2.16 2.18 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 34 S 8.65 3.86 0.00 3.56 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 35 D 7.83 4.32 0.00 2.68 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 36 I 7.83 4.52 1.61 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.68 0.00 0.00 37 E 8.95 4.59 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 38 V 7.93 4.60 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 0.50 0.00 0.00 0.50 0.00 0.00 39 D 9.22 4.94 0.00 2.46 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 40 L 8.35 4.81 0.00 1.56 1.55 0.89 0.55 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 41 L 9.15 4.96 0.00 1.65 1.55 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.75 4.17 0.00 1.61 1.58 0.00 1.82 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.42 7.81 43 N 9.31 3.99 0.00 2.80 2.83 0.00 0.00 7.02 7.43 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 44 G 8.32 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.57 4.09 0.00 2.05 1.85 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 2.38 2.33 0.00 46 R 8.23 4.62 0.00 1.80 1.80 0.00 3.33 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 47 I 8.74 3.71 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.92 0.00 0.00 48 E 9.28 4.01 0.00 1.85 1.74 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 2.31 2.28 0.00 49 K 9.14 3.99 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 50 V 8.05 4.46 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 0.89 0.00 0.00 0.98 0.00 0.00 51 E 8.52 4.64 0.00 1.16 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 2.03 2.26 0.00 52 H 7.96 5.14 0.00 1.45 2.19 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.15 4.49 0.00 3.95 4.06 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 0.00 0.00 0.00 0.00 54 D 8.47 4.46 0.00 2.70 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 55 L 8.48 4.07 0.00 1.65 1.62 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.20 4.90 0.00 3.72 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 57 F 7.66 5.40 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.95 4.60 0.00 4.02 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 0.00 59 K 8.66 3.32 0.00 1.55 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.16 7.81 60 D 7.72 4.28 0.00 2.78 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 61 W 7.70 3.67 0.00 3.30 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 62 S 8.09 4.20 0.00 3.94 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.31 5.14 0.00 2.12 2.28 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 64 Y 8.30 5.50 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.91 5.29 0.00 1.96 1.78 1.27 0.38 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 66 L 9.25 5.23 0.00 2.01 1.69 1.18 1.11 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 67 Y 9.17 5.23 0.00 3.03 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 68 Y 8.53 5.85 0.00 3.17 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 69 T 8.30 4.88 4.21 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 1.15 0.00 0.00 70 E 8.54 3.95 0.00 1.46 1.58 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 1.94 1.60 0.00 71 F 9.06 5.00 0.00 2.81 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 72 T 8.09 4.40 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 1.18 0.00 0.00 73 P 0.00 4.71 0.00 2.11 2.32 0.00 3.42 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 74 T 8.28 4.68 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 1.27 0.00 0.00 75 E 9.05 4.15 0.00 1.99 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 0.00 2.34 2.26 0.00 76 K 8.08 4.11 0.00 1.88 1.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 D 8.22 4.51 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.50 5.02 0.00 2.05 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 2.27 2.27 0.00 79 Y 9.11 5.38 0.00 3.04 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 80 A 9.09 5.28 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 81 C 9.51 5.25 0.00 2.92 2.91 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 82 R 8.94 4.97 0.00 1.87 1.71 0.00 3.05 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 83 V 9.19 4.66 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 0.79 0.00 0.00 0.82 0.00 0.00 84 N 9.08 5.23 0.00 2.77 2.55 0.00 0.00 6.16 7.45 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 85 H 8.51 5.16 0.00 3.09 3.04 0.00 5.77 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 86 V 8.43 3.53 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 0.96 0.00 0.00 87 T 7.82 4.07 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 1.27 0.00 0.00 88 L 7.71 4.67 0.00 1.70 1.84 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.91 4.29 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.57 4.64 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 91 P 0.00 4.43 0.00 2.04 2.18 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 92 K 8.88 4.45 0.00 1.82 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 93 I 8.19 4.98 1.87 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 1.21 0.59 0.92 0.00 0.00 94 V 8.65 4.38 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 1.05 0.00 0.00 0.97 0.00 0.00 95 K 8.66 4.62 0.00 1.73 1.78 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.41 7.81 96 W 9.06 4.54 0.00 3.20 3.40 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 97 D 8.57 4.38 0.00 2.69 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 98 R 7.45 3.65 0.00 1.90 1.21 0.00 2.93 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 99 D 7.88 4.98 0.00 2.56 2.60 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 0.00 100 M 8.38 4.40 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00