NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4489 8.3349 115.4122 57.5876 63.2831 173.3414 2 K 3.9627 8.4496 125.5485 56.0023 32.4891 175.6768 3 T 4.2603 8.4081 115.1017 62.4684 69.8815 174.1661 4 N 4.5251 7.9698 119.9728 52.5127 39.5212 173.1116 5 P 4.2298 0.0000 0.0000 65.9193 31.4774 178.8858 6 R 3.9170 8.1977 116.8230 59.0383 29.9549 178.8721 7 L 3.9614 8.0492 119.8069 58.0062 41.9613 178.6409 8 S 4.0570 8.2265 113.4449 61.4657 62.3225 176.2663 9 S 4.0623 8.2627 115.7590 61.2563 62.1340 175.4210 10 L 3.8831 8.2051 123.5339 58.5909 41.7623 179.1954 11 I 3.6745 7.7972 119.1027 64.3427 37.1292 178.2858 12 A 4.0345 7.6518 121.5114 55.1407 18.1433 179.5198 13 D 4.2271 8.6041 117.7723 57.6118 41.0652 178.8053 14 L 3.9228 8.1429 119.7075 57.7197 41.4473 180.0338 15 K 3.9694 7.8396 117.8963 59.5395 32.0472 179.0217 16 S 4.0680 7.9574 112.9791 61.4916 62.2881 176.0812 17 A 4.0700 8.0147 122.8390 55.3699 18.0083 179.3351 18 A 4.0815 7.8435 117.4862 55.4018 18.4392 179.7874 19 R 4.1279 8.0398 115.6212 59.8899 30.4949 178.7591 20 S 4.3085 8.6246 114.7318 61.7335 63.3255 177.1647 21 S 4.4817 8.5236 117.3152 58.4051 63.9521 174.9945 22 G 4.2014 8.5316 109.8540 46.2618 0.0000 174.4829 23 G 3.7644 7.6198 108.1249 44.7861 0.0000 174.1386 24 A 4.6171 7.9616 119.5740 51.3195 23.0325 178.9073 25 V 3.7140 7.4029 108.9001 63.6363 31.9517 178.4783 26 W 4.7106 7.7421 118.4464 59.6614 28.9655 178.3233 27 G 3.7876 8.1525 104.9991 46.9854 0.0000 175.3076 28 D 4.3705 7.5934 119.9744 57.0760 41.2829 178.5067 29 V 3.6080 8.6295 119.2389 65.9020 31.6368 177.6371 30 A 4.0271 7.9848 120.4561 55.5086 17.9631 179.3690 31 E 3.9400 7.8112 115.1510 59.7144 29.4757 179.3968 32 R 4.0769 7.7521 118.6272 59.0911 29.8943 178.4839 33 L 3.9957 7.7459 118.3388 57.4770 41.6998 178.8645 34 E 4.1536 8.1658 117.7894 57.9898 29.5563 177.7123 35 K 4.2896 6.8764 116.3629 54.8167 33.0350 174.8670 36 P 4.2216 0.0000 0.0000 63.1166 31.9248 177.8107 37 R 3.5045 8.7026 121.0027 59.3138 30.1167 179.1154 38 R 3.9609 7.8923 112.7727 58.3871 29.5694 177.1068 39 T 4.3186 7.7714 107.7062 61.9323 69.4422 174.7587 40 H 4.5081 7.8997 119.6702 55.3669 29.6636 174.6756 41 A 4.1548 8.1084 122.6920 52.2616 19.3876 176.7787 42 E 4.8992 8.7733 121.4929 54.1287 30.6962 173.6375 43 V 4.2982 8.7000 123.2846 61.0906 32.5248 175.3923 44 N 5.0947 8.4684 124.7067 51.5368 40.4525 175.6428 45 L 4.5252 8.3659 117.9360 57.6457 41.6021 179.8216 46 G 3.6596 8.1233 105.5624 47.9533 0.0000 175.5424 47 R 4.1313 7.9956 120.3216 58.9251 30.1788 178.4759 48 I 3.9052 7.2349 118.3305 64.1407 36.9572 177.8527 49 E 4.0052 8.2911 119.5640 58.9850 29.4820 178.5210 50 R 3.8904 7.8078 118.2682 58.4346 30.2648 176.4366 51 Y 4.6234 7.6352 112.4710 57.4896 39.2437 175.4726 52 A 4.6805 7.9209 123.3923 50.8591 20.3470 176.7159 53 Q 4.6391 8.1536 116.9701 53.7763 31.6871 175.2331 54 E 3.9599 8.7562 119.6190 58.0899 30.3381 176.3526 55 D 4.3395 8.6835 118.7809 54.7891 37.8529 175.6164 56 E 4.9038 7.8025 115.0575 56.0903 31.6695 174.1566 57 T 4.0771 8.3396 121.2244 64.1059 69.9436 172.6017 58 V 4.4548 8.8142 126.6671 62.0682 33.2691 174.6249 59 V 4.9109 9.2495 128.7932 61.3400 33.6505 174.3737 60 V 4.6892 9.2900 129.6130 59.0612 32.7117 174.5574 61 P 4.9237 0.0000 0.0000 61.0336 30.8303 175.4545 62 G 4.1920 7.1560 117.3311 47.6640 0.0000 175.7183 63 K 5.0529 9.4012 127.1847 54.1373 35.8427 173.5634 64 V 4.7708 8.3079 125.0717 61.3492 33.6904 175.2043 65 L 4.9728 9.2871 128.3239 52.8855 44.9882 176.5075 66 G 4.0685 8.3651 104.9692 46.3696 0.0000 173.8251 67 S 4.5841 8.5264 116.3941 58.4217 64.8617 175.8872 68 G 4.2101 8.8760 110.4453 44.9825 0.0000 172.2502 69 V 4.3965 7.9503 117.1469 60.6440 33.5898 174.4619 70 L 4.8380 8.3862 127.2258 53.4267 44.5054 175.8165 71 Q 4.4328 8.6720 121.3603 56.5381 31.4624 176.5382 72 K 3.9142 8.1129 117.4818 56.5695 32.1813 177.0317 73 D 5.4324 8.4769 124.0395 54.1484 39.6742 174.9792 74 V 4.5591 7.9427 116.2312 59.2954 36.6852 174.7818 75 T 4.6321 8.4905 120.6790 62.6780 69.4914 173.6989 76 V 4.6254 8.5894 127.9233 61.7729 33.3194 174.4362 77 A 5.9400 10.0887 130.5208 49.5045 21.1640 174.9287 78 A 5.1323 8.2243 122.5724 49.1720 22.8996 176.8860 79 V 3.5488 8.0781 118.9333 66.1868 32.0790 175.6753 80 D 4.7083 7.3162 116.8428 53.3523 44.4386 174.1306 81 F 5.4765 8.8142 120.6718 55.5009 42.9084 175.0508 82 S 4.4177 9.0612 116.3098 57.9183 64.4472 175.3456 83 G 3.8321 9.0577 107.9253 48.6827 0.0000 175.8839 84 T 3.8656 7.9752 117.7633 66.0669 68.5302 176.0857 85 A 4.0065 7.9126 122.2989 55.4425 18.4550 179.0811 86 E 3.5797 8.4153 117.4826 59.8644 29.4585 179.1936 87 T 3.7924 7.9437 115.5011 66.6087 68.4029 176.6824 88 K 3.8413 8.4661 119.9752 59.8167 32.2624 179.1306 89 I 3.9246 7.7646 119.8981 64.2627 37.0655 177.7769 90 D 4.0273 7.8450 119.0414 57.7450 40.7017 179.3068 91 Q 4.1174 7.6143 117.7535 58.9089 29.1453 178.0551 92 V 4.3009 7.8085 111.4137 61.9907 34.0507 175.1689 93 G 4.2260 8.4214 109.4764 45.0177 0.0000 175.2227 94 E 4.6530 9.4345 128.1399 54.7520 33.0680 172.6071 95 A 4.7371 8.6012 129.9985 50.8006 19.7977 176.3576 96 V 4.5998 8.6780 122.7020 61.0463 35.2974 175.5944 97 S 4.7803 8.5890 120.0244 57.8084 64.1047 175.0220 98 L 3.9297 8.1634 122.8180 58.2232 41.4707 179.2540 99 E 3.8647 7.9971 117.5878 59.1363 29.6282 178.9998 100 Q 4.0217 7.9424 117.7633 58.8291 28.9285 177.9575 101 A 4.0034 7.6659 121.5778 55.7396 17.9455 179.5574 102 I 2.9933 7.1271 117.7645 64.4382 36.8016 178.1705 103 E 3.9890 8.1514 119.4730 59.0227 29.6409 178.0831 104 N 4.6478 7.9814 114.9813 54.9191 38.8059 175.2602 105 N 5.1729 8.7979 119.0935 51.5437 39.7525 172.7868 106 P 4.9722 0.0000 0.0000 65.0315 32.2915 178.7202 107 E 3.9850 8.1093 117.6262 57.0855 30.0751 176.2053 108 G 3.6454 8.2127 107.3202 46.3110 0.0000 172.8170 109 S 4.5631 7.6934 111.6412 57.5771 66.5277 174.2801 110 H 4.0003 8.4336 116.7025 56.6898 25.6501 174.8513 111 V 4.8346 7.1456 116.2094 60.1266 34.8066 176.2163 112 R 4.5449 8.7660 125.2859 54.5736 32.3484 174.6815 113 V 4.6232 8.2711 125.9094 61.7608 32.7848 174.8099 114 I 4.7186 8.4636 128.7514 59.4809 40.5807 176.2131 115 R 4.1415 8.2116 120.9000 56.6342 29.1746 174.7440 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 S 8.33 4.45 0.00 3.99 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 2 K 8.45 3.96 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.45 1.44 7.81 3 T 8.41 4.26 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 1.21 0.00 0.00 4 N 7.97 4.53 0.00 2.80 2.70 0.00 0.00 7.23 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 5 P 0.00 4.23 0.00 2.19 2.09 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.20 3.92 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.05 3.96 0.00 1.75 1.86 0.92 0.91 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 8 S 8.23 4.06 0.00 4.07 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 9 S 8.26 4.06 0.00 4.00 3.81 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 10 L 8.21 3.88 0.00 1.76 1.87 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.80 3.67 2.01 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 1.45 0.99 0.92 0.00 0.00 12 A 7.65 4.03 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 13 D 8.60 4.23 0.00 2.72 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 14 L 8.14 3.92 0.00 1.88 2.01 0.94 0.70 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 15 K 7.84 3.97 0.00 2.08 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 7.96 4.07 0.00 3.92 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 17 A 8.01 4.07 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 18 A 7.84 4.08 1.52 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 0.00 0.00 19 R 8.04 4.13 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 20 S 8.62 4.31 0.00 3.89 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 21 S 8.52 4.48 0.00 4.26 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 22 G 8.53 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 0.00 0.00 0.00 0.00 23 G 7.62 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 24 A 7.96 4.62 1.18 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 0.00 0.00 0.00 25 V 7.40 3.71 1.70 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 0.67 0.00 0.00 -0.15 0.00 0.00 26 W 7.74 4.71 0.00 3.34 3.18 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 0.00 27 G 8.15 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 0.00 0.00 0.00 28 D 7.59 4.37 0.00 3.15 2.78 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 0.00 0.00 0.00 0.00 29 V 8.63 3.61 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 1.02 0.00 0.00 1.17 0.00 0.00 30 A 7.98 4.03 1.45 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 31 E 7.81 3.94 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 2.36 2.61 0.00 32 R 7.75 4.08 0.00 1.88 2.07 0.00 3.30 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.75 4.00 0.00 1.82 1.70 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.17 4.15 0.00 2.12 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 2.36 2.64 0.00 35 K 6.88 4.29 0.00 2.06 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.22 0.00 2.14 1.97 0.00 3.61 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 2.11 2.12 0.00 37 R 8.70 3.50 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 38 R 7.89 3.96 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.77 4.32 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 1.21 0.00 0.00 40 H 7.90 4.51 0.00 3.34 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.15 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 42 E 8.77 4.90 0.00 1.82 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 2.20 2.41 0.00 43 V 8.70 4.30 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 0.99 0.00 0.00 0.92 0.00 0.00 44 N 8.47 5.09 0.00 2.82 2.95 0.00 0.00 7.64 6.74 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 45 L 8.37 4.53 0.00 1.92 1.74 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.00 4.13 0.00 1.98 2.02 0.00 3.22 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 48 I 7.23 3.91 2.06 0.00 0.00 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 1.47 0.87 0.97 0.00 0.00 49 E 8.29 4.01 0.00 2.01 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 0.00 2.37 2.33 0.00 50 R 7.81 3.89 0.00 1.84 1.57 0.00 2.75 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.34 0.00 51 Y 7.64 4.62 0.00 2.91 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 52 A 7.92 4.68 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 53 Q 8.15 4.64 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 54 E 8.76 3.96 0.00 1.99 1.95 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 2.47 2.36 0.00 55 D 8.68 4.34 0.00 2.83 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 56 E 7.80 4.90 0.00 1.95 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 2.16 2.15 0.00 57 T 8.34 4.08 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 1.38 0.00 0.00 58 V 8.81 4.45 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 0.96 0.00 0.00 1.04 0.00 0.00 59 V 9.25 4.91 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 1.04 0.00 0.00 1.20 0.00 0.00 60 V 9.29 4.69 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 0.91 0.00 0.00 0.92 0.00 0.00 61 P 0.00 4.92 0.00 2.11 2.23 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 62 G 7.16 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 0.00 0.00 0.00 0.00 63 K 9.40 5.05 0.00 1.71 1.58 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.34 7.81 64 V 8.31 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 1.10 0.00 0.00 0.74 0.00 0.00 65 L 9.29 4.97 0.00 1.82 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.37 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 67 S 8.53 4.58 0.00 4.03 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 68 G 8.88 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 0.00 0.00 0.00 0.00 69 V 7.95 4.40 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.39 4.84 0.00 1.60 1.50 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.67 4.43 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 72 K 8.11 3.91 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.63 7.81 73 D 8.48 5.43 0.00 2.71 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 74 V 7.94 4.56 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 0.88 0.00 0.00 1.02 0.00 0.00 75 T 8.49 4.63 4.29 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 1.27 0.00 0.00 76 V 8.59 4.63 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 1.11 0.00 0.00 1.02 0.00 0.00 77 A 10.09 5.94 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 78 A 8.22 5.13 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.08 3.55 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.32 4.71 0.00 2.79 2.38 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 81 F 8.81 5.48 0.00 2.82 2.93 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 82 S 9.06 4.42 0.00 3.94 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 83 G 9.06 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 84 T 7.98 3.87 4.27 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 1.23 0.00 0.00 85 A 7.91 4.01 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 86 E 8.42 3.58 0.00 1.93 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 0.00 2.17 2.04 0.00 87 T 7.94 3.79 4.38 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 1.20 0.00 0.00 88 K 8.47 3.84 0.00 1.68 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.68 7.81 89 I 7.76 3.92 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.93 0.00 0.00 90 D 7.84 4.03 0.00 2.60 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 91 Q 7.61 4.12 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 92 V 7.81 4.30 2.25 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 0.79 0.00 0.00 1.01 0.00 0.00 93 G 8.42 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 0.00 0.00 0.00 94 E 9.43 4.65 0.00 2.01 1.76 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 2.18 2.24 0.00 95 A 8.60 4.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.60 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 1.13 0.00 0.00 0.95 0.00 0.00 97 S 8.59 4.78 0.00 4.21 4.04 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 0.00 0.00 0.00 98 L 8.16 3.93 0.00 1.86 1.58 0.97 0.95 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 99 E 8.00 3.86 0.00 1.91 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 0.00 2.27 2.39 0.00 100 Q 7.94 4.02 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.67 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 0.00 102 I 7.13 2.99 1.67 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.05 0.65 0.00 0.00 103 E 8.15 3.99 0.00 1.87 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 2.31 2.32 0.00 104 N 7.98 4.65 0.00 2.87 2.90 0.00 0.00 6.59 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.80 5.17 0.00 2.84 3.03 0.00 0.00 6.78 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 0.00 106 P 0.00 4.97 0.00 2.31 2.30 0.00 3.51 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.11 3.99 0.00 2.17 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 2.35 2.33 0.00 108 G 8.21 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 0.00 0.00 0.00 109 S 7.69 4.56 0.00 3.89 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 0.00 110 H 8.43 4.00 0.00 3.36 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.15 4.83 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 0.40 0.00 0.00 0.93 0.00 0.00 112 R 8.77 4.54 0.00 2.09 1.82 0.00 3.12 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 113 V 8.27 4.62 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 0.87 0.00 0.00 0.88 0.00 0.00 114 I 8.46 4.72 1.89 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 1.30 1.45 0.94 0.00 0.00 115 R 8.21 4.14 0.00 1.84 1.79 0.00 3.03 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00