NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3381 8.3044 120.3657 55.7749 33.9058 175.3727 2 D 4.6394 7.7675 122.9712 52.6612 39.1452 174.5677 3 F 4.9537 8.8153 120.3603 57.3837 41.2329 175.8425 4 R 4.9289 9.1955 119.7338 54.5900 34.7006 174.1919 5 I 5.0185 8.4349 114.7978 59.3213 40.9313 174.4520 6 G 4.4175 8.9940 110.0193 44.7644 0.0000 171.3010 7 Q 5.1667 8.5403 117.5414 54.5040 32.5457 173.8933 8 G 4.3754 9.1754 106.8525 45.1422 0.0000 170.8377 9 Y 5.3591 8.4908 121.5567 55.9688 42.0765 173.5688 10 D 4.6364 8.3036 123.9833 53.1166 45.3987 174.0327 11 V 4.7346 7.6955 120.8466 60.7319 34.5485 173.4719 12 H 5.0176 8.8062 118.3414 53.9729 33.5579 173.0605 13 Q 4.6252 8.7403 119.6657 56.1255 30.2209 175.0887 14 L 5.0404 8.6291 122.8531 53.4182 43.1468 176.4868 15 V 4.6189 8.7640 117.0838 58.4662 36.1007 173.6733 16 P 4.5683 0.0000 0.0000 64.3473 31.4142 176.5108 17 G 4.0734 9.0784 109.7715 45.4634 0.0000 173.8685 18 R 4.7242 7.7571 117.9837 53.4692 33.6575 173.0202 19 P 4.7056 0.0000 0.0000 62.4077 32.6736 175.7932 20 L 4.4514 8.4606 124.6301 54.2002 43.0624 175.2185 21 I 5.0380 8.2665 127.1830 59.6004 40.7069 174.9540 22 I 4.7381 8.3152 127.5805 60.5148 40.1740 175.8569 23 G 3.7790 9.9882 113.0119 46.6110 0.0000 175.2163 24 G 3.9070 9.0260 107.9962 44.8254 0.0000 174.3081 25 V 4.1513 7.4276 120.5557 61.2911 32.6862 174.5453 26 T 4.7071 8.4335 124.3804 63.3516 69.0342 173.9189 27 I 4.3852 8.3769 128.2407 58.4995 39.3540 174.0827 28 P 4.4299 0.0000 0.0000 62.9780 31.4391 175.3283 29 Y 4.6744 8.1578 122.1524 56.8921 41.2590 174.2657 30 E 3.6671 7.8863 122.8839 58.2851 30.0518 176.5445 31 R 4.8795 7.0220 116.9839 54.6844 34.6416 174.0869 32 G 4.6938 8.9343 106.9008 44.6272 0.0000 171.3929 33 L 5.0972 8.5689 121.8779 54.3506 42.9495 177.2018 34 L 4.6761 9.2652 124.5943 52.0340 43.2161 176.7212 35 G 3.8919 8.2253 109.1526 45.4231 0.0000 171.3969 36 H 4.2698 8.4689 119.9711 57.8288 30.2400 176.3617 37 S 3.5463 8.4567 119.0147 59.8663 60.3645 171.7007 38 D 4.6258 8.8879 120.2647 54.4634 39.2123 176.3730 39 A 3.4303 8.1909 120.4918 53.5215 16.6739 179.0230 40 D 4.6867 8.1727 121.2137 55.0554 40.3104 176.4642 41 V 4.0430 7.9682 128.7627 63.7946 31.5122 178.0095 42 L 3.9115 7.7974 120.4689 57.9680 42.0466 178.7051 43 L 3.9993 8.1611 118.9683 57.9536 41.4204 179.1672 44 H 4.2360 8.3706 116.0491 58.9386 28.6453 177.6639 45 A 4.0115 7.9207 122.1645 55.2311 18.1920 179.7731 46 I 3.6316 7.7894 118.3114 64.6938 37.1124 178.6389 47 T 3.6829 8.1043 116.7812 66.8576 68.2556 176.2692 48 D 4.4895 8.4168 120.5276 57.4207 40.8402 178.7409 49 A 4.2287 8.1377 122.6511 54.5343 18.3301 179.8004 50 L 3.8340 7.9687 117.4333 58.0344 41.7038 179.6501 51 F 4.5805 8.1311 117.9591 60.5620 38.7604 178.0607 52 G 3.5870 8.5323 105.4292 47.7876 0.0000 175.7149 53 A 4.1827 8.2077 123.4026 53.7728 18.4627 178.6602 54 A 3.1898 7.5259 115.7962 50.8352 19.6173 176.7246 55 A 3.6888 7.5899 119.2346 53.6485 16.5150 177.8707 56 L 4.6991 8.5060 116.4021 55.3532 43.4528 178.4419 57 G 3.9635 8.9654 110.9144 45.5817 0.0000 175.5002 58 D 4.8264 8.0052 125.5808 50.3671 42.4324 175.5259 59 I 3.9402 9.3623 119.2542 64.4497 37.4821 177.8901 60 G 3.5744 7.8693 105.0525 47.3562 0.0000 175.6826 61 R 3.9486 7.6467 119.7175 58.9566 30.0552 178.1388 62 H 3.9213 7.4189 114.6095 56.1273 29.4411 175.5422 63 F 4.9896 7.1806 117.7007 55.0027 42.9071 171.1674 *68 P 4.3891 0.0000 0.0000 63.2192 31.7683 179.2517 69 R 3.8215 9.0916 125.8695 58.0205 30.1174 178.6406 70 F 5.0056 7.6815 116.9130 58.3523 40.0913 175.7992 71 K 4.3182 8.0046 123.4706 55.7220 31.8472 182.2159 72 G 4.0166 9.0154 111.4682 44.5039 0.0000 173.7242 73 A 4.0749 7.7059 123.3435 52.1190 19.1823 177.7544 74 D 4.7624 8.3315 122.0524 52.4604 42.4599 177.9959 75 S 4.1891 8.7503 115.7217 61.3683 62.5463 177.3610 76 R 3.8797 8.0372 120.6765 58.8813 29.9323 178.3805 77 A 3.9452 8.3721 120.6674 55.2238 18.3113 179.6701 78 L 3.1651 7.5500 116.8615 57.5370 41.5312 179.4892 79 L 3.8639 8.0704 120.5290 58.2301 42.0762 179.2718 80 R 3.8908 8.1638 118.2084 59.2292 29.9892 178.7167 81 E 4.0240 8.2805 119.1634 59.1797 29.6102 178.1053 82 C 3.9563 8.5671 119.0910 62.7046 31.5335 175.4053 83 A 3.9321 8.2013 122.3921 55.3524 17.8971 179.5306 84 S 4.0943 8.0872 111.3395 61.6838 62.5021 176.7019 85 R 4.0838 8.1823 120.8616 59.0671 29.9322 179.1285 86 V 3.7281 8.1395 118.0576 66.0111 31.5197 177.9885 87 A 4.5839 8.0687 121.8656 54.8500 18.0623 179.3848 88 Q 4.1266 8.1144 116.3460 58.5314 29.2297 177.2961 89 A 4.3140 7.8479 119.9740 52.7331 18.8612 177.9010 90 G 3.6977 8.5218 106.8760 44.5237 0.0000 172.8460 91 F 5.3287 8.0697 118.4857 55.6613 41.4596 174.5483 92 A 4.9650 9.1263 125.1173 50.3519 21.2515 176.0640 93 I 4.1740 8.3745 122.9929 61.5176 37.5524 175.8568 94 R 4.5755 9.1019 126.6187 57.9273 31.4431 176.2201 95 N 5.0158 7.6578 113.3475 52.0764 40.7527 173.3962 96 V 4.9245 8.8491 119.5081 61.2778 35.0754 173.7658 97 D 5.4759 9.2259 126.1608 51.7996 45.1376 174.0065 98 S 5.0597 8.1102 114.7341 58.1046 66.4218 173.5917 99 T 4.9518 8.8687 116.9245 62.0770 72.8095 172.9410 100 I 4.7481 8.8982 127.1170 59.7777 39.7306 174.6393 101 I 4.8855 8.9005 128.3033 59.7192 38.9561 174.7479 102 A 4.7785 8.7878 129.1904 50.3123 21.9544 176.8541 103 Q 3.9304 9.0274 123.8540 58.9304 29.5638 175.8257 104 A 4.3899 7.2066 117.0158 50.4325 21.7052 173.7805 105 P 4.4566 0.0000 0.0000 61.8129 32.9575 176.5207 106 K 4.1170 8.3738 120.0590 54.8412 31.9574 173.2780 107 L 4.5181 8.4377 122.8707 54.6258 43.3485 178.4341 108 A 3.9660 8.2648 120.8412 55.1267 17.8663 177.7710 109 P 4.2270 0.0000 0.0000 65.0513 31.6949 177.4225 110 H 4.7591 8.1700 113.9015 55.8301 29.0886 176.9789 111 I 3.7247 7.4924 122.8030 64.5417 36.9020 177.8770 112 D 4.3240 8.1122 119.0134 57.2331 40.6168 178.6188 113 A 3.9843 7.9133 120.8232 55.3125 18.4171 179.3894 114 M 4.2406 7.9738 118.4711 58.1096 31.9998 179.0978 115 R 3.8771 8.2406 118.1370 59.2838 30.2695 178.9263 116 A 3.9859 8.2914 120.7015 55.2736 18.3594 179.4407 117 N 4.2734 8.3005 114.9403 56.5087 38.5712 177.8085 118 I 3.6681 7.9998 121.0598 64.3103 37.1819 178.3119 119 A 3.9503 8.3481 121.7769 54.9875 18.2658 179.4170 120 A 3.9176 7.9915 119.1802 55.6950 18.3092 179.7477 121 D 4.3623 8.0677 115.7336 56.8219 40.9493 178.0398 122 L 4.3324 7.9668 116.8881 53.3921 42.5780 175.6706 123 D 4.3653 7.6406 117.2395 55.4816 40.1782 172.9764 124 L 4.8294 7.9310 116.4143 51.7927 44.7606 175.4965 125 P 4.3737 0.0000 0.0000 62.4220 32.1887 177.2838 126 L 3.9415 8.6783 123.4900 58.3847 42.0412 178.2405 127 D 4.5808 8.0687 114.2904 54.1574 39.3856 176.2873 128 R 4.6254 8.2335 117.9117 56.0660 31.7598 175.1640 129 V 4.7973 7.8720 119.4570 61.1060 33.7585 174.3568 130 N 5.1301 9.1916 125.6255 51.8257 42.7712 172.9815 131 V 4.8175 8.2606 123.3446 59.9781 34.5213 174.5111 132 K 4.8586 9.0776 126.1171 54.5370 35.8395 174.8443 133 A 5.2577 8.4117 122.3871 50.3481 22.2391 175.6527 134 K 4.7444 9.0865 119.5483 54.8984 37.0059 176.5256 135 T 4.7686 8.3964 113.4431 60.0957 71.0181 173.7057 136 N 4.7578 8.6864 116.2893 52.6871 39.0556 174.0027 137 E 3.8758 8.6341 116.1945 57.7405 27.5900 175.9833 138 K 4.1705 8.0782 114.3299 54.6662 30.3258 177.2840 139 L 4.4561 7.8004 119.9616 55.1558 43.1678 178.3296 140 G 3.9523 8.5341 112.3385 44.9793 0.0000 173.2325 141 Y 4.3278 8.0956 115.8620 60.1871 37.7211 178.3110 142 L 4.0729 7.0438 120.4208 57.5853 41.5055 179.5594 143 G 3.6629 8.0963 105.4237 47.0789 0.0000 174.9097 144 R 4.5146 7.7016 117.9418 55.4207 30.4001 176.6573 145 G 3.9328 7.8930 106.8337 46.7403 0.0000 174.7691 146 E 4.3022 8.5917 120.1168 56.9965 30.0418 176.0062 147 G 4.4613 7.3468 103.8147 45.8288 0.0000 172.6907 148 I 4.9500 8.4168 119.9744 59.3329 41.1535 174.6465 149 E 5.0208 8.9166 126.5279 54.3957 32.5803 174.3454 150 A 5.2557 8.6140 125.8687 50.2323 22.7261 175.0163 151 Q 5.2233 9.2729 119.1856 54.1553 32.7449 174.6228 152 A 5.2271 9.1601 122.8860 50.3112 23.2800 174.8197 153 A 5.1717 9.2860 121.0970 50.1020 22.8057 175.1804 154 A 5.0652 9.0140 122.1819 50.0296 23.0512 174.6380 155 L 5.1134 8.8155 123.4294 53.4364 44.9675 175.7372 156 V 5.2029 8.7241 118.1233 59.6819 36.8494 174.6442 157 V 4.7836 8.8768 122.8359 60.7047 34.6979 175.4188 158 R 4.1207 9.0816 128.3088 57.7605 29.7658 174.7871 159 E 4.0433 9.1457 120.9736 55.4465 30.2401 170.7841 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 4.34 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 2 D 7.77 4.64 0.00 2.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.82 4.95 0.00 3.04 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 4 R 9.20 4.93 0.00 1.56 1.71 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 5 I 8.43 5.02 1.87 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 1.28 1.23 0.92 0.00 0.00 6 G 8.99 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 0.00 0.00 0.00 0.00 7 Q 8.54 5.17 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.18 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 0.00 0.00 0.00 0.00 9 Y 8.49 5.36 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.64 0.00 2.75 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 11 V 7.70 4.73 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 0.79 0.00 0.00 1.05 0.00 0.00 12 H 8.81 5.02 0.00 3.07 3.30 0.00 5.62 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 13 Q 8.74 4.63 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 14 L 8.63 5.04 0.00 1.68 1.68 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.76 4.62 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 0.77 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.57 0.00 1.91 1.96 0.00 3.65 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 2.01 2.07 0.00 17 G 9.08 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 18 R 7.76 4.72 0.00 1.81 1.79 0.00 3.29 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 19 P 0.00 4.71 0.00 1.94 1.98 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 L 8.46 4.45 0.00 2.11 1.80 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.27 5.04 1.84 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 1.32 1.10 0.88 0.00 0.00 22 I 8.32 4.74 1.81 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 1.18 0.93 0.86 0.00 0.00 23 G 9.99 3.78 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 0.00 0.00 0.00 24 G 9.03 3.91 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 0.00 0.00 0.00 25 V 7.43 4.15 2.17 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 0.94 0.00 0.00 0.98 0.00 0.00 26 T 8.43 4.71 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 27 I 8.38 4.39 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.58 0.78 0.00 0.00 28 P 0.00 4.43 0.00 1.99 2.03 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 29 Y 8.16 4.67 0.00 2.90 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 30 E 7.89 3.67 0.00 1.90 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 1.48 1.94 0.00 31 R 7.02 4.88 0.00 1.68 1.96 0.00 3.16 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 32 G 8.93 4.69 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 0.00 0.00 0.00 33 L 8.57 5.10 0.00 1.50 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.27 4.68 0.00 1.44 1.41 0.92 0.75 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 35 G 8.23 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 36 H 8.47 4.27 0.00 3.29 3.24 0.00 5.77 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.46 3.55 0.00 3.76 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.89 4.63 0.00 2.73 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 39 A 8.19 3.43 1.21 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 40 D 8.17 4.69 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 4.04 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 1.01 0.00 0.00 1.01 0.00 0.00 42 L 7.80 3.91 0.00 1.74 1.79 0.90 0.65 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 43 L 8.16 4.00 0.00 1.71 1.68 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.37 4.24 0.00 3.45 3.38 0.00 5.64 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 45 A 7.92 4.01 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 46 I 7.79 3.63 1.97 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 1.50 0.76 0.87 0.00 0.00 47 T 8.10 3.68 4.45 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 1.22 0.00 0.00 48 D 8.42 4.49 0.00 2.92 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 49 A 8.14 4.23 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 50 L 7.97 3.83 0.00 1.57 1.52 0.81 0.90 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 51 F 8.13 4.58 0.00 3.05 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 52 G 8.53 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 53 A 8.21 4.18 1.24 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 0.00 0.00 54 A 7.53 3.19 1.24 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 0.00 0.00 55 A 7.59 3.69 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 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0.00 2.27 1.62 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 69 R 9.09 3.82 0.00 1.83 1.83 0.00 3.20 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 70 F 7.68 5.01 0.00 3.07 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 71 K 8.00 4.32 0.00 1.77 1.61 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 72 G 9.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.07 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 74 D 8.33 4.76 0.00 3.16 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 75 S 8.75 4.19 0.00 3.88 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 76 R 8.04 3.88 0.00 1.95 2.02 0.00 3.12 0.00 0.00 3.32 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0.00 0.00 0.00 0.00 0.00 85 R 8.18 4.08 0.00 2.30 2.14 0.00 3.41 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 86 V 8.14 3.73 2.24 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 1.10 0.00 0.00 0.94 0.00 0.00 87 A 8.07 4.58 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 88 Q 8.11 4.13 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 89 A 7.85 4.31 1.63 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 0.00 0.00 90 G 8.52 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 0.00 0.00 0.00 91 F 8.07 5.33 0.00 3.19 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 92 A 9.13 4.96 1.22 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 0.00 0.00 93 I 8.37 4.17 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.91 0.00 0.00 102 A 8.79 4.78 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 0.00 103 Q 9.03 3.93 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 104 A 7.21 4.39 1.24 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 0.00 0.00 105 P 0.00 4.46 0.00 2.09 1.87 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.00 106 K 8.37 4.12 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.44 4.52 0.00 1.67 1.71 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.97 1.30 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 0.00 0.00 0.00 109 P 0.00 4.23 0.00 1.65 2.00 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 110 H 8.17 4.76 0.00 3.22 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.49 3.72 1.86 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 1.81 0.96 0.94 0.00 0.00 112 D 8.11 4.32 0.00 2.67 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 0.00 113 A 7.91 3.98 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 0.00 114 M 7.97 4.24 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 115 R 8.24 3.88 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 116 A 8.29 3.99 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 0.00 117 N 8.30 4.27 0.00 2.97 2.86 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 135 T 8.40 4.77 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 1.19 0.00 0.00 136 N 8.69 4.76 0.00 2.74 2.70 0.00 0.00 6.98 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 0.00 137 E 8.63 3.88 0.00 2.06 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 2.24 2.36 0.00 138 K 8.08 4.17 0.00 1.97 1.77 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.22 7.81 139 L 7.80 4.46 0.00 1.78 1.55 0.90 0.74 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 0.00 140 G 8.53 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 0.00 141 Y 8.10 4.33 0.00 3.27 3.26 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 0.00 142 L 7.04 4.07 0.00 1.51 1.67 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.10 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 0.00 144 R 7.70 4.51 0.00 1.87 2.01 0.00 3.27 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 145 G 7.89 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 0.00 146 E 8.59 4.30 0.00 2.31 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 2.35 2.32 0.00 147 G 7.35 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.42 4.95 1.87 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 1.09 1.09 0.93 0.00 0.00 149 E 8.92 5.02 0.00 2.08 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 2.16 2.14 0.00 150 A 8.61 5.26 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 0.00 151 Q 9.27 5.22 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 152 A 9.16 5.23 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 0.00 153 A 9.29 5.17 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 0.00 154 A 9.01 5.07 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 0.00 155 L 8.82 5.11 0.00 1.78 1.69 1.04 0.70 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 0.00 156 V 8.72 5.20 2.24 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 0.65 0.00 0.00 0.66 0.00 0.00 157 V 8.88 4.78 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 0.60 0.00 0.00 0.12 0.00 0.00 158 R 9.08 4.12 0.00 1.62 1.79 0.00 3.42 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 159 E 9.15 4.04 0.00 2.08 1.79 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 2.17 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.