NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2766 8.3044 118.1900 55.2832 32.4414 174.9980 2 H 4.4234 8.5858 120.6928 54.6280 29.2788 172.8542 3 L 4.8493 7.7803 126.5352 52.2836 45.9687 177.2417 4 T 4.1173 8.5724 113.3087 60.6772 70.9757 173.9369 5 P 4.1805 0.0000 0.0000 66.2646 31.3708 178.8346 6 E 4.0030 8.0715 116.5132 59.2364 29.3978 179.1493 7 E 3.9203 8.0019 118.6800 59.1845 29.4498 179.4440 8 K 3.8520 8.1307 118.8046 59.5569 32.1780 179.5799 9 S 4.0916 8.1649 114.2008 61.2565 62.6288 176.2704 10 A 3.9874 8.0146 124.3661 54.9652 18.1528 179.7712 11 V 3.4143 7.6876 116.5415 66.5145 31.5014 178.2894 12 T 3.9490 8.2134 115.5605 66.5856 68.0714 176.4722 13 A 4.0178 7.9663 121.4512 55.1627 18.7738 179.1525 14 L 3.8870 7.8654 118.8320 58.0436 42.1899 178.9707 15 W 4.3290 8.7313 128.4790 60.3356 30.3906 178.0849 16 G 3.7414 7.9557 105.0732 47.0609 0.0000 174.7554 17 K 4.3866 7.6818 117.9385 55.4127 32.8754 176.7149 18 V 3.6615 6.9662 120.5240 62.0166 32.2028 175.6530 19 N 4.5135 8.2758 125.4383 52.3191 39.1187 175.3177 20 V 3.4989 8.1755 128.6066 66.0980 31.6842 177.2354 21 D 4.3317 8.0194 117.9109 57.4362 40.8325 178.4748 22 E 3.8644 8.1920 119.0493 59.3475 29.7459 178.8742 23 V 3.6096 7.8750 118.4821 65.6188 31.5051 178.1244 24 G 3.7416 8.2181 105.7325 47.9142 0.0000 175.8915 25 G 3.6028 7.8917 108.2098 47.2936 0.0000 175.6883 26 E 3.9134 8.0541 120.2403 58.9916 29.5348 179.1870 27 A 3.9236 8.2690 121.1512 55.1734 18.5393 179.4549 28 L 3.9956 8.1063 118.9502 58.1480 42.2646 179.3025 29 G 3.5910 8.0781 105.6513 48.0357 0.0000 175.8931 30 R 3.9046 8.2219 121.0179 58.5577 29.9733 178.8462 31 L 4.0249 7.9848 120.2196 58.3696 42.0363 179.2122 32 L 4.0648 7.8459 119.8237 56.5841 41.2106 179.6533 33 V 3.5651 7.1333 117.2509 65.7262 31.7909 177.9872 34 V 3.5101 7.7683 116.8940 64.3960 32.7133 175.5363 35 Y 3.7865 7.3754 116.6372 53.9320 37.9039 173.9942 36 P 4.6464 0.0000 0.0000 64.5949 31.7378 178.4333 37 W 4.2912 8.1037 116.3906 59.4349 28.0658 177.7616 38 T 4.2319 7.7288 110.2643 63.8968 68.1592 175.9971 39 Q 4.4575 8.3635 121.7375 57.9241 28.4840 178.0418 40 R 3.7404 7.5193 116.5268 58.5470 29.2982 177.8212 41 F 4.3353 7.0007 115.9540 57.3508 39.6479 175.6089 42 F 4.6319 7.8031 118.6866 56.6262 39.8069 177.2058 43 E 4.0158 8.5021 122.4327 59.4771 29.4418 178.4465 44 S 4.6262 8.0353 110.3184 58.6991 63.4023 174.6660 45 F 4.5374 8.4138 119.9779 58.3104 39.6813 175.3124 46 G 3.9332 8.2052 105.1173 43.9805 0.0000 172.7974 47 D 4.5369 8.6555 122.7895 54.2765 41.3893 176.5306 48 L 4.8915 8.3658 125.8106 54.3890 43.0572 177.8625 49 S 4.2994 8.0462 116.6016 61.0326 63.1603 174.8476 50 T 4.7237 7.4387 109.3428 58.2392 72.9227 172.6030 51 P 4.1899 0.0000 0.0000 66.0969 31.3471 178.7392 52 D 4.3109 8.0446 116.8372 57.0795 40.5605 178.4972 53 A 3.9618 7.5041 120.5269 55.0923 18.6628 179.4953 54 V 3.6884 7.9800 116.9329 66.6436 31.4313 178.1808 55 M 4.1726 8.1983 117.3499 57.9569 31.9020 178.1840 56 G 3.9343 7.8975 102.8792 43.8362 0.0000 173.2680 57 N 4.4582 7.4848 121.7209 52.5451 39.4816 173.9723 58 P 4.2615 0.0000 0.0000 65.8829 31.3347 178.7600 59 K 3.6358 8.2061 118.3872 58.8240 31.7579 179.5385 60 V 3.6561 7.6812 118.1681 65.9567 31.5917 178.0822 61 K 3.9463 8.0681 118.0083 59.2726 31.9195 179.1919 62 A 3.9269 8.2194 121.3634 55.4228 18.2634 179.1859 63 H 4.3175 8.5115 117.0837 59.4143 30.0280 177.3767 64 G 3.7740 8.5222 108.0259 48.0017 0.0000 175.4025 65 K 3.9920 8.0534 121.8960 58.9282 32.2669 178.8203 66 K 3.9581 7.8550 119.4637 59.4757 32.1077 178.9443 67 V 3.6368 8.0375 118.7247 66.2547 31.5025 178.1122 68 L 4.3442 8.2921 118.7064 57.4445 41.4230 179.7820 69 G 3.7051 8.3629 105.9494 47.8506 0.0000 175.6976 70 A 4.1394 8.1740 123.4388 54.6600 18.1731 179.4071 71 F 4.1276 8.4103 118.5532 61.7180 39.8995 177.1225 72 S 4.2905 9.0036 115.0864 61.8464 62.6845 176.3501 73 D 4.4895 8.2654 121.5568 57.5198 40.5016 179.2819 74 G 3.5443 7.9143 105.5512 47.5831 0.0000 175.7182 75 L 3.7013 7.2064 119.7934 57.0769 41.5744 178.6658 76 A 4.1640 7.4842 118.9813 53.1871 19.2905 176.7666 77 H 4.8752 8.1847 115.5708 54.6208 29.8056 175.4933 78 L 3.8929 8.0459 120.2755 57.8685 41.8778 179.0954 79 D 4.4654 7.9345 117.1763 56.5855 41.7280 176.2094 80 N 4.9909 8.1602 117.2508 51.0254 39.3490 174.3717 81 L 4.0413 7.9519 123.6778 57.7449 42.1557 179.0590 82 K 4.0209 8.1286 116.5906 59.6604 31.7990 179.0662 83 G 3.7070 8.1758 105.1506 48.0373 0.0000 175.5487 84 T 3.6542 7.6846 117.1686 65.8970 68.7405 175.7816 85 F 4.6868 8.0164 116.8585 57.0691 39.2090 177.3365 86 A 4.0496 7.5910 122.4437 55.7739 18.1581 180.4140 87 T 3.8149 7.8316 113.3033 66.9791 68.6128 176.9102 88 L 4.1604 7.9801 120.2281 57.4907 41.6533 179.4089 89 S 4.3873 8.4924 115.1121 61.0402 62.3635 175.9911 90 E 3.8667 8.2186 121.2168 59.2491 29.2006 179.1591 91 L 3.9087 8.0233 120.2092 58.6723 42.1718 178.8946 92 H 4.2103 8.5693 116.1371 58.9867 28.1097 176.8724 93 C 3.6282 7.7347 121.0234 61.9461 31.0934 175.2752 94 D 4.3386 8.3840 121.2314 56.8909 40.6831 177.7058 95 K 4.2375 7.7145 116.3550 57.7392 33.2588 177.5753 96 L 4.1707 7.7946 116.9572 54.8983 42.3107 176.2089 97 H 4.1610 7.2183 113.3887 56.6442 26.5522 175.1941 98 V 3.7386 7.8879 118.6126 61.0085 32.4346 174.8222 99 D 4.3488 8.7438 127.2112 53.8671 41.6078 175.1575 100 P 3.2100 0.0000 0.0000 64.4272 31.7820 177.9532 101 E 3.8761 8.1451 119.1892 59.2014 29.2575 178.3381 102 N 4.2733 7.9209 116.6165 56.2469 38.5060 177.2575 103 F 4.4679 7.3979 119.1624 60.5790 39.0149 177.9363 104 R 3.9710 7.9216 117.2239 59.2017 29.9514 178.9116 105 L 3.8092 7.7910 118.7397 57.7029 41.5864 179.2832 106 L 4.0749 8.2200 120.5140 58.0399 42.0150 179.1000 107 G 3.7263 8.2154 105.6228 48.0650 0.0000 175.4156 108 N 4.4196 8.1370 119.0326 55.9637 38.5492 177.7516 109 V 3.6299 8.0444 119.7607 65.8325 31.5450 177.7047 110 L 3.8675 8.3591 120.5569 58.1950 41.8839 179.0856 111 V 3.5666 7.7792 117.9860 66.2375 31.4055 177.7280 112 C 4.0891 8.0684 116.4123 62.7842 27.9782 176.2943 113 V 3.5010 7.7770 119.7729 65.8967 31.0753 178.0164 114 L 3.8153 7.8136 118.5427 57.7048 41.4075 179.3976 115 A 3.7648 7.2878 120.5494 55.1997 18.0604 179.1319 116 H 4.0612 7.9869 115.7946 59.6586 30.0256 176.7745 117 H 3.8724 8.2381 119.0125 58.9036 29.9200 176.6196 118 F 4.5942 8.5664 118.5530 57.1952 39.5392 177.1864 119 G 3.9002 8.7866 108.4940 45.9073 0.0000 177.0939 120 K 3.9605 8.9428 121.5733 59.6111 32.3857 178.2610 121 E 4.1055 7.9500 118.7489 58.8159 29.8545 177.5216 122 F 4.5460 8.2294 123.5668 57.0248 37.9564 175.3089 123 T 4.1945 7.3414 115.5524 60.1290 71.3747 173.5056 124 P 4.1373 0.0000 0.0000 65.7400 31.4739 177.1810 125 P 4.2121 0.0000 0.0000 65.3394 31.2453 178.9739 126 V 3.5320 7.3383 116.6192 65.8228 31.4610 177.7020 127 Q 3.4918 7.9970 119.3846 59.1505 28.9724 178.1713 128 A 4.0411 8.0740 121.4088 55.3078 18.4762 179.5283 129 A 3.9227 7.9139 118.6936 55.5355 18.4059 179.5455 130 Y 3.8632 8.1898 115.2820 61.1410 38.0346 178.6662 131 Q 4.1229 8.7607 119.6075 58.8108 28.7822 178.9072 132 K 3.9634 7.9721 119.1425 59.3762 32.1328 179.5102 133 V 3.5018 7.6162 118.2084 65.9648 31.4104 178.2974 134 V 3.8291 8.1155 118.7980 65.0185 31.0184 178.1518 135 A 4.0843 8.1082 121.3095 54.5647 18.1242 179.7867 136 G 3.5161 8.1280 104.3054 47.9173 0.0000 176.0356 137 V 3.2841 8.2204 121.2607 65.4864 31.5455 177.8188 138 A 3.8905 8.1199 120.6318 55.3754 17.9700 179.3958 139 N 4.3125 8.2344 113.9133 56.2930 38.3505 177.1893 140 A 4.1443 8.1217 122.5177 55.2377 18.0939 179.7122 141 L 3.8976 7.8979 117.0271 57.0052 41.7064 178.6416 142 A 4.4000 7.8145 119.0049 52.8743 18.7809 178.4482 143 H 4.1138 7.7926 116.3801 58.9846 29.9791 176.0153 144 K 4.4499 8.5090 116.2238 56.3282 32.0107 176.4369 145 Y 4.1650 7.9662 117.5721 58.4719 38.4127 175.7078 146 H 4.4364 8.5870 117.6366 56.2583 28.1366 173.3866 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 4.28 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 H 8.59 4.42 0.00 3.17 3.27 0.00 5.67 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 3 L 7.78 4.85 0.00 1.53 1.41 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.57 4.12 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 1.18 0.00 0.00 5 P 0.00 4.18 0.00 2.15 2.14 0.00 3.56 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 2.10 2.17 0.00 6 E 8.07 4.00 0.00 1.95 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 0.00 2.37 2.32 0.00 7 E 8.00 3.92 0.00 2.11 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 2.28 2.30 0.00 8 K 8.13 3.85 0.00 1.83 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.53 7.81 9 S 8.16 4.09 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 10 A 8.01 3.99 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 11 V 7.69 3.41 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 0.63 0.00 0.00 0.41 0.00 0.00 12 T 8.21 3.95 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 1.24 0.00 0.00 13 A 7.97 4.02 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 14 L 7.87 3.89 0.00 1.94 1.95 0.62 0.34 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 15 W 8.73 4.33 0.00 3.86 3.22 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 16 G 7.96 3.74 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 0.00 0.00 0.00 17 K 7.68 4.39 0.00 1.89 2.02 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.42 7.81 18 V 6.97 3.66 1.05 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 -0.02 0.00 0.00 0.68 0.00 0.00 19 N 8.28 4.51 0.00 2.72 2.60 0.00 0.00 6.83 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 20 V 8.18 3.50 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 1.12 0.00 0.00 1.00 0.00 0.00 21 D 8.02 4.33 0.00 2.89 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 22 E 8.19 3.86 0.00 1.97 1.84 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 2.31 2.31 0.00 23 V 7.88 3.61 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 0.88 0.00 0.00 0.67 0.00 0.00 24 G 8.22 3.74 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 0.00 0.00 0.00 25 G 7.89 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 0.00 0.00 0.00 26 E 8.05 3.91 0.00 2.18 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 2.28 2.42 0.00 27 A 8.27 3.92 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 28 L 8.11 4.00 0.00 1.76 1.64 0.92 0.93 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 29 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.90 0.00 1.86 1.92 0.00 3.07 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 L 7.98 4.02 0.00 1.89 1.89 1.00 0.52 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 32 L 7.85 4.06 0.00 2.04 1.68 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.13 3.57 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 0.71 0.00 0.00 0.95 0.00 0.00 34 V 7.77 3.51 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 -0.02 0.00 0.00 0.74 0.00 0.00 35 Y 7.38 3.79 0.00 2.61 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 36 P 0.00 4.65 0.00 2.31 2.29 0.00 3.62 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 2.21 1.90 0.00 37 W 8.10 4.29 0.00 3.55 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.23 4.42 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 1.10 0.00 0.00 39 Q 8.36 4.46 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 40 R 7.52 3.74 0.00 1.67 1.96 0.00 3.01 0.00 0.00 2.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 41 F 7.00 4.34 0.00 1.89 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 42 F 7.80 4.63 0.00 2.83 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 0.00 0.00 0.00 43 E 8.50 4.02 0.00 1.95 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 2.25 2.22 0.00 44 S 8.04 4.63 0.00 4.10 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 45 F 8.41 4.54 0.00 3.25 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 46 G 8.21 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 47 D 8.66 4.54 0.00 2.65 2.62 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 48 L 8.37 4.89 0.00 1.66 1.63 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.05 4.30 0.00 3.99 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 50 T 7.44 4.72 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 52 D 8.04 4.31 0.00 2.67 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 53 A 7.50 3.96 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 54 V 7.98 3.69 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 1.04 0.00 0.00 0.98 0.00 0.00 55 M 8.20 4.17 0.00 1.97 2.09 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 2.60 2.88 0.00 56 G 7.90 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 57 N 7.48 4.46 0.00 2.94 2.85 0.00 0.00 6.87 9.03 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 58 P 0.00 4.26 0.00 2.23 2.24 0.00 3.70 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 2.00 2.01 0.00 59 K 8.21 3.64 0.00 1.62 0.74 0.00 1.55 0.00 0.00 1.33 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.21 7.81 60 V 7.68 3.66 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 1.07 0.00 0.00 1.04 0.00 0.00 61 K 8.07 3.95 0.00 1.94 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.63 7.81 62 A 8.22 3.93 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 63 H 8.51 4.32 0.00 3.63 3.51 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.52 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 0.00 0.00 0.00 65 K 8.05 3.99 0.00 1.96 2.07 0.00 1.73 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 1.47 1.67 7.81 66 K 7.86 3.96 0.00 2.14 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.52 7.81 67 V 8.04 3.64 2.27 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 1.11 0.00 0.00 0.91 0.00 0.00 68 L 8.29 4.34 0.00 1.97 1.90 1.18 0.81 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 69 G 8.36 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 70 A 8.17 4.14 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 0.00 0.00 0.00 0.00 0.00 71 F 8.41 4.13 0.00 3.19 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 72 S 9.00 4.29 0.00 4.23 4.36 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 73 D 8.27 4.49 0.00 2.84 2.66 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 74 G 7.91 3.54 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 0.00 75 L 7.21 3.70 0.00 1.46 1.43 0.22 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.16 1.19 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 77 H 8.18 4.88 0.00 3.05 3.15 0.00 5.83 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 78 L 8.05 3.89 0.00 1.50 1.66 0.79 1.02 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 79 D 7.93 4.47 0.00 2.63 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 80 N 8.16 4.99 0.00 2.69 2.58 0.00 0.00 7.05 6.89 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 81 L 7.95 4.04 0.00 1.75 1.81 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.13 4.02 0.00 1.67 1.83 0.00 1.63 0.00 0.00 1.31 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.45 7.81 83 G 8.18 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 84 T 7.68 3.65 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 0.45 0.00 0.00 85 F 8.02 4.69 0.00 3.04 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 86 A 7.59 4.05 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 87 T 7.83 3.81 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 1.22 0.00 0.00 88 L 7.98 4.16 0.00 1.87 1.88 1.10 0.89 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 89 S 8.49 4.39 0.00 4.11 4.12 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 0.00 0.00 0.00 90 E 8.22 3.87 0.00 2.26 1.96 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 2.28 2.30 0.00 91 L 8.02 3.91 0.00 1.78 1.88 0.91 0.86 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 92 H 8.57 4.21 0.00 3.61 3.78 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.73 3.63 0.00 1.23 2.34 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 94 D 8.38 4.34 0.00 2.69 2.69 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 0.00 0.00 0.00 95 K 7.71 4.24 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.36 7.81 96 L 7.79 4.17 0.00 1.72 1.63 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.22 4.16 0.00 3.46 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 3.74 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 0.04 0.00 0.00 0.36 0.00 0.00 99 D 8.74 4.35 0.00 2.79 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 0.00 100 P 0.00 3.21 0.00 1.93 1.76 0.00 3.39 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 101 E 8.15 3.88 0.00 2.04 1.90 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 2.31 2.39 0.00 102 N 7.92 4.27 0.00 2.49 2.70 0.00 0.00 6.92 7.42 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 0.00 103 F 7.40 4.47 0.00 3.11 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 0.00 104 R 7.92 3.97 0.00 2.06 1.96 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.79 3.81 0.00 1.71 1.38 0.68 -0.03 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 0.00 106 L 8.22 4.07 0.00 1.81 1.88 0.94 1.05 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 0.00 107 G 8.22 3.73 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 0.00 0.00 0.00 108 N 8.14 4.42 0.00 2.95 2.95 0.00 0.00 6.71 7.64 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 0.00 109 V 8.04 3.63 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 1.05 0.00 0.00 1.16 0.00 0.00 110 L 8.36 3.87 0.00 1.73 1.78 0.90 0.36 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 0.00 111 V 7.78 3.57 2.32 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 1.32 0.00 0.00 1.18 0.00 0.00 112 C 8.07 4.09 0.00 3.20 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 0.00 113 V 7.78 3.50 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 0.89 0.00 0.00 0.94 0.00 0.00 114 L 7.81 3.82 0.00 0.94 1.05 0.61 0.99 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 0.00 115 A 7.29 3.76 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 0.00 116 H 7.99 4.06 0.00 3.17 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.24 3.87 0.00 2.86 2.77 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.57 4.59 0.00 3.28 3.13 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 0.00 119 G 8.79 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 0.00 0.00 0.00 120 K 8.94 3.96 0.00 1.92 2.02 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.53 7.81 121 E 7.95 4.11 0.00 2.08 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 0.00 2.43 2.57 0.00 122 F 8.23 4.55 0.00 3.03 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 0.00 123 T 7.34 4.19 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 nan 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.16 0.00 3.58 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 2.12 2.21 0.00 125 P 0.00 4.21 0.00 2.12 2.07 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.34 3.53 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 0.96 0.00 0.00 0.90 0.00 0.00 127 Q 8.00 3.49 0.00 1.70 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 128 A 8.07 4.04 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 0.00 129 A 7.91 3.92 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 0.00 130 Y 8.19 3.86 0.00 3.45 3.31 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 0.00 131 Q 8.76 4.12 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 132 K 7.97 3.96 0.00 2.03 1.82 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 V 7.62 3.50 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 0.76 0.00 0.00 0.72 0.00 0.00 134 V 8.12 3.83 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 0.88 0.00 0.00 1.13 0.00 0.00 135 A 8.11 4.08 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 0.00 136 G 8.13 3.52 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 0.00 137 V 8.22 3.28 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 0.53 0.00 0.00 0.64 0.00 0.00 138 A 8.12 3.89 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 0.00 139 N 8.23 4.31 0.00 2.83 2.89 0.00 0.00 7.03 8.20 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 0.00 140 A 8.12 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 0.00 141 L 7.90 3.90 0.00 1.13 0.47 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.81 4.40 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 0.00 143 H 7.79 4.11 0.00 3.40 3.50 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.51 4.45 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.71 7.81 145 Y 7.97 4.17 0.00 3.18 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 0.00 146 H 8.59 4.44 0.00 3.23 3.21 0.00 5.58 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