NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2953 8.3144 121.7903 56.7319 33.2949 175.3766 14 N 4.8030 8.3256 110.3162 51.4122 38.9490 174.2495 15 R 4.2699 8.8029 119.9682 56.7512 32.3504 175.5048 16 I 4.4204 8.9223 127.9782 60.0784 39.0000 174.6421 17 F 4.9040 8.9539 129.7413 57.8437 40.1589 174.7429 18 V 4.6453 8.0890 120.0746 59.7192 33.1933 176.0340 19 S 4.6772 8.5817 118.5443 58.5547 64.3538 174.0173 20 S 4.6293 7.4241 112.1224 57.5748 65.3489 175.3039 21 S 3.9258 8.0434 120.2149 60.7443 63.2428 176.5043 22 K 4.0476 7.7471 120.4900 58.8223 32.2533 178.7686 23 D 4.3182 7.6997 119.3306 57.3837 40.7273 178.3630 24 F 3.8693 6.9605 114.0585 58.6593 38.4586 175.7525 25 E 4.3377 8.1126 121.0067 57.7215 29.6648 177.4279 26 G 3.9844 8.0597 105.8867 45.4749 0.0000 173.6416 27 Y 4.1047 7.8687 117.3439 56.3900 37.7183 173.6682 28 P 4.4851 0.0000 0.0000 63.2858 32.1896 177.7012 29 S 4.4593 8.6772 116.1281 61.0513 64.1021 173.8208 30 K 5.0560 7.9605 117.6588 56.1375 33.5845 174.4276 31 A 4.6455 9.0825 127.6336 51.0071 23.6564 174.9164 32 I 4.8847 8.4914 119.7859 59.8690 39.2018 175.5421 33 V 4.4568 9.1058 128.5154 60.1766 34.1082 172.9603 34 P 4.9153 0.0000 0.0000 62.9179 32.5703 176.0827 35 V 5.4324 9.0251 118.0326 59.2964 36.0911 174.0592 36 Q 4.9439 8.2301 119.0306 55.6453 32.3006 173.0325 37 F 4.4813 8.1863 120.3646 55.3156 42.2756 172.9868 38 V 4.8096 8.0014 117.6784 61.3085 34.0353 174.0587 39 A 4.6755 8.7285 127.6660 51.5952 23.6985 174.4552 40 L 4.7611 8.4875 118.9502 53.5460 43.5491 176.6413 41 L 4.1226 8.4325 126.2156 55.3008 42.1427 176.4991 42 T 4.7390 9.0461 115.7794 61.7656 71.4724 173.6332 43 S 5.0655 7.3748 114.7139 57.5103 66.3134 173.6858 44 I 4.9835 8.5280 121.3072 60.0375 41.5252 174.1438 45 H 5.1693 9.2097 125.5052 54.4998 32.3547 170.9822 46 L 5.0328 9.4064 128.9400 53.5429 44.0934 175.1531 47 T 5.0197 8.6464 118.1690 59.9512 71.3445 173.3547 48 E 4.4105 9.0817 117.7117 57.9246 30.3749 176.9273 49 T 4.3634 7.9038 108.8625 62.4638 70.4044 173.7484 50 K 3.8446 7.9948 119.7379 55.7319 37.0663 174.8062 51 C 5.1294 8.2887 120.0812 58.3112 35.1507 172.3220 52 L 5.2898 9.0432 126.5149 52.9323 44.4584 175.2828 53 L 4.9777 9.6203 125.1003 52.9396 44.1877 175.5427 54 G 4.4244 8.6876 111.6009 43.8641 0.0000 172.5425 55 F 5.6004 9.7201 122.4207 55.9737 43.7988 173.8800 56 S 4.8928 8.9773 114.1275 57.2335 65.7450 174.2306 57 N 4.8322 9.8229 122.9518 51.8498 37.7326 174.6057 58 F 3.6846 7.3701 116.3797 58.6618 37.0574 176.1873 59 E 3.9523 8.2826 118.4186 58.5802 29.3218 178.0049 *66 Q 4.2336 7.6924 117.1334 55.7725 28.7116 173.5887 67 E 4.6654 7.6586 121.0163 54.9909 32.4734 175.2884 68 D 4.2911 7.9517 121.3693 55.0819 41.7873 176.4168 69 Q 4.1345 8.2691 121.2142 56.8649 32.6002 175.1207 70 Y 4.6633 8.3212 117.4772 56.1660 40.2573 175.1330 71 L 4.9928 8.7193 124.6312 53.1972 43.3611 175.5852 72 I 4.5275 9.4718 126.2302 60.0057 39.2006 174.9278 73 K 4.9359 8.8307 127.9091 54.6781 34.6417 174.9171 74 L 4.8231 9.0323 127.7284 52.9835 43.1041 175.6472 75 K 4.4618 8.8097 125.7020 55.9988 33.3698 176.1971 76 F 4.7435 7.7742 117.0056 56.3065 40.3597 172.8420 77 K 4.2917 8.5868 125.5800 58.1253 33.4242 176.9148 78 D 4.8134 7.7172 117.8562 52.2964 42.1636 177.1632 79 R 4.0337 8.4687 118.2966 59.1938 29.8393 179.4485 80 G 3.6299 7.8965 104.5356 47.9015 0.0000 175.8496 81 S 4.1995 8.1479 116.1011 60.6838 63.2271 176.0090 82 E 2.7329 7.8674 122.9982 58.6715 29.2024 178.8386 83 R 3.8020 8.0180 118.2880 59.3258 30.1090 178.9366 84 L 3.9178 7.5600 118.4665 57.7419 41.5831 179.4734 85 A 3.9700 7.9243 120.5918 55.1336 18.1898 179.8370 86 R 3.8129 8.0373 116.7808 59.6310 30.1106 179.4089 87 I 3.6953 7.9847 119.7311 64.5013 36.9692 178.6962 88 T 3.8622 8.1224 116.7421 66.8216 68.2716 176.7657 89 I 3.7542 7.9072 121.6916 64.2823 37.0474 178.4406 90 S 4.1003 8.3609 114.2233 61.5484 62.2638 176.3342 91 L 4.0250 8.2154 121.9041 57.5959 41.0629 179.2879 92 L 3.9570 8.2016 120.4810 58.4097 42.0233 178.8958 93 C 4.3626 8.5120 117.0394 62.9046 28.1570 175.8886 94 Q 3.9747 8.4390 121.3760 59.2520 28.3957 177.5783 95 Y 3.8528 8.0982 119.9990 59.8392 38.8115 176.9663 96 F 4.9705 7.6989 115.8237 56.5052 39.3519 175.3480 97 D 4.5208 7.7739 116.8727 55.3727 38.6429 173.6263 98 I 4.2031 8.4367 120.5081 60.2034 38.0002 175.6448 99 E 4.2569 8.7545 123.6788 55.7020 30.0804 175.8613 100 L 4.6935 8.4024 123.9059 52.0644 44.2404 175.0188 101 P 4.6304 0.0000 0.0000 61.5003 30.3600 174.2145 102 D 4.6190 7.9920 123.9344 51.9911 44.5100 173.7997 *111 P 4.0830 0.0000 0.0000 62.3814 31.7520 176.2568 112 T 4.1527 8.6443 120.3185 64.2471 69.1412 173.7211 113 V 4.4777 9.4601 127.4353 61.0597 34.2917 174.2706 114 I 5.2044 8.4398 127.5785 59.5642 40.6386 174.7613 115 L 4.9251 8.9997 125.6901 53.1071 45.5482 175.8445 116 R 4.8313 8.3333 120.1942 54.3863 34.7219 174.2352 117 D 4.5464 8.7457 117.8197 54.9958 38.9495 176.0923 118 I 3.7491 7.8856 121.4025 64.7504 37.5940 178.7929 119 H 5.0901 8.3771 114.7476 57.9310 28.4646 177.4262 120 L 4.0419 7.5803 119.3907 56.6906 41.9556 177.5950 121 E 4.5125 7.7985 117.5698 56.9507 31.7194 176.3754 122 R 4.9953 8.5727 117.3781 54.5168 34.2576 173.9646 123 L 4.6076 8.9352 122.9238 54.5095 42.7087 176.9229 124 C 4.4376 7.8607 121.3260 57.0813 28.4518 172.7625 125 F 4.7091 8.4653 120.3401 57.8874 40.4565 174.6174 126 S 5.2386 9.4837 117.9783 57.1748 67.9824 172.8340 127 S 4.8007 9.0436 119.0363 56.9417 63.9812 172.5075 128 C 5.0237 8.2362 124.7825 57.6093 31.6805 173.0908 129 K 4.9490 8.9273 121.5430 54.6295 34.6957 175.2391 130 A 5.2230 8.8252 125.1614 50.4162 23.7866 174.3405 131 L 4.9128 8.9857 119.2536 53.2297 44.1194 175.5994 132 Y 4.5917 9.2217 127.0786 56.9930 40.2750 174.2331 133 V 4.9238 8.5150 126.7675 61.2517 34.6174 174.3464 134 S 5.2380 8.3291 122.2685 56.8219 66.7238 172.9163 135 K 4.3628 9.5225 118.2406 56.8480 36.0064 174.7847 136 H 4.1850 10.0482 122.6731 56.7832 26.3095 176.0236 137 G 4.0721 8.3607 108.3730 45.3041 0.0000 174.1109 138 N 4.9924 8.1643 117.9359 52.5734 40.5236 173.7473 139 Y 5.1465 7.6415 117.9304 56.1059 41.6428 174.1851 140 T 4.4159 8.5632 115.7995 61.8643 73.4037 173.0573 141 L 4.9087 8.2283 125.3336 53.4775 43.4572 175.2903 142 F 5.0922 8.9867 123.7993 55.6495 41.1755 175.3805 143 L 4.3717 8.6524 125.8779 55.5527 41.8825 176.0186 144 E 4.6347 8.7541 125.2663 57.7815 32.0572 175.9735 145 D 4.5782 7.5070 115.2104 53.3008 44.7736 174.3458 146 I 4.8235 8.2891 124.0928 59.1928 41.0698 173.9822 147 K 4.3679 9.1213 131.6341 53.8402 33.7665 173.6002 148 P 4.8552 0.0000 0.0000 62.6354 32.1891 175.8972 149 L 4.8969 8.7100 122.1899 52.8178 44.2056 176.5017 150 D 4.6383 8.8859 124.1864 54.0191 41.6941 176.8848 151 L 3.9742 9.0249 125.6495 58.5122 41.9751 179.3123 152 V 3.5627 7.7967 117.4754 66.2142 31.5069 178.0835 153 S 4.1219 7.8865 114.3862 61.1315 62.7577 176.6620 154 V 3.3564 7.8561 121.3495 65.9214 31.2154 177.9039 155 I 2.5445 7.6476 119.8199 64.1226 36.9256 178.0933 156 S 3.9996 7.8739 113.5668 62.0221 61.9270 176.4034 157 T 3.8737 8.3167 118.3294 66.5286 67.8377 176.5230 158 I 3.9136 7.2421 120.8453 64.3240 37.4720 177.9563 159 S 4.2989 8.3374 115.7780 61.4033 62.7390 176.0800 160 T 4.0529 7.8474 112.7028 63.6156 68.8183 174.6568 161 K 4.3847 7.6765 116.0392 56.3109 32.1185 176.9012 *177 C 4.5130 8.7379 127.8351 60.4780 33.0131 174.7726 178 D 4.1186 7.7794 118.5795 57.1739 40.1205 178.4662 179 L 4.0615 7.5938 120.0289 58.5478 42.1253 178.7507 180 N 4.3872 7.9991 115.7177 56.2785 38.4285 177.0845 181 N 4.4228 8.8605 118.3678 56.3911 38.5797 177.6840 182 S 4.2877 8.5125 116.7893 61.7319 63.0366 176.7253 183 L 4.2745 8.4219 122.0258 57.7371 41.2392 179.9098 184 V 3.7321 8.1018 118.1751 66.1543 31.5763 177.6426 185 D 4.4899 8.4685 118.9061 57.6935 40.7647 178.9497 186 I 4.0116 8.3577 120.4613 64.6842 37.2073 178.3647 187 F 4.1631 8.6014 121.2789 61.0968 39.2152 177.0864 188 N 4.5081 8.6819 116.6099 56.4524 38.3283 177.0159 189 N 4.3809 8.4245 117.8679 56.4954 38.2457 177.5098 190 L 3.4246 8.0290 120.0480 57.4475 41.4067 179.6900 191 I 4.2515 7.8611 120.0755 64.4041 37.1825 178.1874 192 E 4.0954 8.3963 119.5206 59.5609 29.0665 179.2612 193 M 4.1210 8.1556 118.3975 58.1037 31.9966 177.8943 194 N 4.7236 7.5651 117.4580 55.7147 39.1649 177.0034 195 R 4.1999 7.6069 119.0698 57.8241 30.1036 176.9097 196 D 4.3959 7.8032 119.5331 54.3543 41.5067 176.8766 197 E 3.8051 8.8258 126.9883 59.0459 29.8238 178.4526 198 K 4.1001 8.1492 117.5511 59.0029 32.9198 177.2906 199 N 4.4390 7.8303 119.1604 53.3432 39.2050 175.8543 200 R 3.9120 8.5092 124.0872 58.1434 30.2326 176.5007 201 F 4.0464 7.6277 122.4740 57.4048 39.7547 174.4095 202 K 4.1134 7.2641 126.9361 54.6179 35.5465 176.4604 203 F 3.8484 8.0198 123.5801 60.6783 38.8750 178.1918 204 V 2.5973 7.2748 117.4430 65.0407 31.1492 176.4332 205 K 4.1929 7.6593 117.2441 56.1967 32.3580 176.4861 206 L 4.2748 7.9299 122.0529 54.0182 41.8706 178.0515 207 I 3.8937 8.0298 125.4039 63.8713 37.2390 176.3902 208 H 4.8854 7.7827 114.5280 54.9859 28.8940 173.0115 209 Y 4.4250 8.3030 123.0404 59.2090 37.9923 175.5457 210 D 4.7474 8.3432 127.0755 53.3399 43.6180 177.3606 211 I 3.6019 7.9544 121.4607 64.3194 37.0491 178.3955 212 E 3.9670 7.9998 119.9466 58.8988 29.5171 178.4308 213 L 4.0294 7.6361 120.2472 57.8887 42.1736 178.6079 214 K 4.1125 7.7582 120.9806 58.7675 32.0921 179.0637 215 K 3.9783 7.9082 118.9590 59.3461 31.8111 179.1862 216 F 4.0585 8.2700 120.1730 60.9627 39.5454 177.1239 217 V 3.4620 7.7849 117.9671 66.1815 31.3542 177.5693 218 Q 3.9276 7.6683 117.7167 59.3302 28.4508 178.6046 219 D 4.4363 7.8463 118.2142 56.0284 40.7522 177.1767 220 Q 3.9977 7.4853 120.2998 57.0194 29.7974 177.3649 221 Q 3.8218 7.8698 116.9104 58.1306 29.1672 178.3591 222 K 3.9191 7.9875 116.7589 59.3661 32.1295 178.3323 223 V 3.7011 7.2006 116.7078 64.4425 31.6786 175.7178 224 L 4.3276 7.8779 124.4077 55.1898 41.6601 176.0173 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 13 K 8.31 4.30 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 14 N 8.33 4.80 0.00 2.75 2.69 0.00 0.00 6.76 6.77 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 15 R 8.80 4.27 0.00 1.91 1.88 0.00 3.32 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 16 I 8.92 4.42 1.97 0.00 0.00 0.72 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 0.84 0.95 0.00 0.00 17 F 8.95 4.90 0.00 3.06 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 18 V 8.09 4.65 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 0.73 0.00 0.00 0.75 0.00 0.00 19 S 8.58 4.68 0.00 4.06 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 20 S 7.42 4.63 0.00 4.05 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 21 S 8.04 3.93 0.00 3.95 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 22 K 7.75 4.05 0.00 1.80 1.86 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.31 7.81 23 D 7.70 4.32 0.00 2.28 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 24 F 6.96 3.87 0.00 2.90 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 25 E 8.11 4.34 0.00 2.10 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 2.39 2.45 0.00 26 G 8.06 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 0.00 0.00 0.00 27 Y 7.87 4.10 0.00 2.63 2.39 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 28 P 0.00 4.49 0.00 2.31 2.05 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 29 S 8.68 4.46 0.00 3.84 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 30 K 7.96 5.06 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 31 A 9.08 4.65 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 32 I 8.49 4.88 1.93 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 1.27 0.76 0.97 0.00 0.00 33 V 9.11 4.46 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 1.14 0.00 0.00 1.02 0.00 0.00 34 P 0.00 4.92 0.00 2.17 2.03 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 2.15 2.18 0.00 35 V 9.03 5.43 2.26 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 1.25 0.00 0.00 1.17 0.00 0.00 36 Q 8.23 4.94 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 37 F 8.19 4.48 0.00 2.55 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 38 V 8.00 4.81 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 1.07 0.00 0.00 1.12 0.00 0.00 39 A 8.73 4.68 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 40 L 8.49 4.76 0.00 1.75 1.47 0.76 -1.07 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 41 L 8.43 4.12 0.00 1.54 1.29 0.37 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.05 4.74 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 1.14 0.00 0.00 43 S 7.37 5.07 0.00 3.95 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 44 I 8.53 4.98 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.94 0.00 0.00 45 H 9.21 5.17 0.00 3.15 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.41 5.03 0.00 1.79 1.55 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.65 5.02 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 1.17 0.00 0.00 48 E 9.08 4.41 0.00 2.17 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 0.00 2.30 2.35 0.00 49 T 7.90 4.36 4.15 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 1.22 0.00 0.00 50 K 7.99 3.84 0.00 1.59 1.65 0.00 1.19 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.23 7.81 51 C 8.29 5.13 0.00 3.29 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 52 L 9.04 5.29 0.00 1.61 1.53 0.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.62 4.98 0.00 1.75 1.35 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.69 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 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4.13 0.00 1.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.39 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 70 Y 8.32 4.66 0.00 2.96 2.58 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 0.00 0.00 0.00 71 L 8.72 4.99 0.00 1.46 1.59 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.47 4.53 2.19 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 1.07 0.00 0.00 73 K 8.83 4.94 0.00 1.60 1.20 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 74 L 9.03 4.82 0.00 1.79 1.81 1.04 0.84 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 75 K 8.81 4.46 0.00 2.03 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 76 F 7.77 4.74 0.00 3.08 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 77 K 8.59 4.29 0.00 1.88 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.36 7.81 78 D 7.72 4.81 0.00 2.93 2.82 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 0.00 0.00 0.00 79 R 8.47 4.03 0.00 1.85 2.01 0.00 3.28 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 80 G 7.90 3.63 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 0.00 81 S 8.15 4.20 0.00 4.16 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 0.00 82 E 7.87 2.73 0.00 2.03 1.93 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 1.84 1.65 0.00 83 R 8.02 3.80 0.00 2.01 1.91 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 84 L 7.56 3.92 0.00 1.78 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.92 3.97 1.15 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 0.00 0.00 86 R 8.04 3.81 0.00 1.94 1.94 0.00 3.26 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 87 I 7.98 3.70 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 1.51 0.85 0.91 0.00 0.00 88 T 8.12 3.86 4.50 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 1.26 0.00 0.00 89 I 7.91 3.75 2.02 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 1.69 1.01 0.96 0.00 0.00 90 S 8.36 4.10 0.00 3.97 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 91 L 8.22 4.03 0.00 1.86 1.72 0.95 0.83 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 92 L 8.20 3.96 0.00 1.90 1.90 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.51 4.36 0.00 3.25 3.21 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 94 Q 8.44 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0.00 0.00 0.00 127 S 9.04 4.80 0.00 3.89 3.68 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 0.00 128 C 8.24 5.02 0.00 1.23 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 0.00 0.00 0.00 129 K 8.93 4.95 0.00 1.56 1.65 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.27 7.81 130 A 8.83 5.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.99 4.91 0.00 1.73 1.72 0.93 0.86 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 0.00 132 Y 9.22 4.59 0.00 2.94 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 0.00 133 V 8.52 4.92 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 0.98 0.00 0.00 1.04 0.00 0.00 134 S 8.33 5.24 0.00 4.07 3.64 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 0.00 135 K 9.52 4.36 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.75 4.63 0.00 1.99 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 2.27 2.27 0.00 145 D 7.51 4.58 0.00 2.73 2.39 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 0.00 146 I 8.29 4.82 1.88 0.00 0.00 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 1.28 1.04 0.94 0.00 0.00 147 K 9.12 4.37 0.00 1.73 1.60 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.29 7.81 148 P 0.00 4.86 0.00 0.82 1.15 0.00 3.19 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.81 0.00 149 L 8.71 4.90 0.00 1.73 1.66 1.05 0.96 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 0.00 150 D 8.89 4.64 0.00 2.78 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 0.00 151 L 9.02 3.97 0.00 1.94 1.78 1.23 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.80 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 153 S 7.89 4.12 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.86 3.36 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 0.45 0.00 0.00 0.68 0.00 0.00 155 I 7.65 2.54 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.31 0.48 0.00 0.00 156 S 7.87 4.00 0.00 3.83 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 0.00 157 T 8.32 3.87 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 1.19 0.00 0.00 158 I 7.24 3.91 1.96 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 1.54 0.63 1.13 0.00 0.00 159 S 8.34 4.30 0.00 3.96 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 0.00 160 T 7.85 4.05 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 1.23 0.00 0.00 161 K 7.68 4.38 0.00 1.79 0.95 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.33 7.81 *177 C 8.74 4.51 0.00 2.92 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 0.00 178 D 7.78 4.12 0.00 1.67 1.54 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 0.00 179 L 7.59 4.06 0.00 1.77 1.65 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.00 4.39 0.00 2.94 2.86 0.00 0.00 7.08 6.92 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 0.00 181 N 8.86 4.42 0.00 2.87 2.92 0.00 0.00 6.99 7.73 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 0.00 182 S 8.51 4.29 0.00 4.27 4.14 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 0.00 183 L 8.42 4.27 0.00 1.90 1.79 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.10 3.73 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 1.20 0.00 0.00 1.09 0.00 0.00 185 D 8.47 4.49 0.00 2.99 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 0.00 186 I 8.36 4.01 2.41 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 1.06 0.00 0.00 187 F 8.60 4.16 0.00 3.62 3.28 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 0.00 188 N 8.68 4.51 0.00 3.06 2.95 0.00 0.00 6.94 7.18 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 0.00 189 N 8.42 4.38 0.00 2.94 3.03 0.00 0.00 7.09 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.03 3.42 0.00 1.89 1.46 0.48 -0.45 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 0.00 191 I 7.86 4.25 2.33 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 1.06 0.00 0.00 192 E 8.40 4.10 0.00 2.12 2.02 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 2.64 2.54 0.00 193 M 8.16 4.12 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 194 N 7.57 4.72 0.00 2.42 3.13 0.00 0.00 7.19 7.53 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 0.00 195 R 7.61 4.20 0.00 1.99 2.01 0.00 3.41 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 196 D 7.80 4.40 0.00 2.81 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 0.00 197 E 8.83 3.81 0.00 1.99 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 0.00 2.31 2.24 0.00 198 K 8.15 4.10 0.00 1.86 1.93 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.86 7.81 199 N 7.83 4.44 0.00 2.73 2.90 0.00 0.00 7.08 7.53 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 0.00 200 R 8.51 3.91 0.00 1.84 1.94 0.00 3.23 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 201 F 7.63 4.05 0.00 2.99 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 0.00 202 K 7.26 4.11 0.00 1.44 1.36 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.24 7.81 203 F 8.02 3.85 0.00 2.94 2.89 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 0.00 204 V 7.27 2.60 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 0.73 0.00 0.00 0.76 0.00 0.00 205 K 7.66 4.19 0.00 1.64 1.67 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.39 7.81 206 L 7.93 4.27 0.00 1.66 1.36 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 207 I 8.03 3.89 1.93 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 1.36 0.47 0.95 0.00 0.00 208 H 7.78 4.89 0.00 3.28 3.45 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 Y 8.30 4.42 0.00 3.05 2.99 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 0.00 210 D 8.34 4.75 0.00 2.79 2.54 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 0.00 211 I 7.95 3.60 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.85 0.00 0.00 212 E 8.00 3.97 0.00 2.01 1.92 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 2.37 2.35 0.00 213 L 7.64 4.03 0.00 1.91 1.90 1.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 214 K 7.76 4.11 0.00 1.27 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.43 7.81 215 K 7.91 3.98 0.00 2.05 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.70 7.81 216 F 8.27 4.06 0.00 2.92 2.99 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 0.00 217 V 7.78 3.46 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 0.90 0.00 0.00 0.42 0.00 0.00 218 Q 7.67 3.93 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 219 D 7.85 4.44 0.00 2.54 2.61 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 0.00 220 Q 7.49 4.00 0.00 1.26 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 1.82 2.17 0.00 221 Q 7.87 3.82 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 222 K 7.99 3.92 0.00 1.69 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 223 V 7.20 3.70 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 0.75 0.00 0.00 0.86 0.00 0.00 224 L 7.88 4.33 0.00 1.85 1.55 1.00 0.79 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 * Residues marked with a * may have inaccurate shift predictions.