NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4353 8.3349 115.4104 58.0721 64.3563 172.5490 10 E 4.4983 8.4469 120.1554 54.3184 31.9016 174.0847 11 H 4.8573 9.6706 121.5502 54.0918 32.3217 172.8255 12 S 4.8563 8.7255 120.1184 56.7453 64.9678 173.3917 13 A 4.7731 8.2616 124.2171 50.3626 22.2309 175.2628 14 I 4.2985 8.7304 123.3317 59.5691 39.4587 174.8030 15 V 4.9585 8.4141 127.3744 61.4512 33.4858 174.8626 16 T 4.8458 9.1416 123.9590 61.5406 72.4349 172.6449 17 W 5.2638 9.0729 135.0000 55.4641 33.4850 174.4732 18 K 4.1926 7.8019 125.3249 53.7853 34.5078 176.0291 19 R 3.0241 7.4723 123.4101 55.7924 30.8408 176.4233 20 K 4.1302 8.6854 124.2900 55.5629 32.8848 176.2924 21 D 4.4808 8.4277 120.5845 56.4675 41.0022 177.3674 22 S 3.7792 8.7917 115.8546 58.4308 61.2634 169.9008 23 E 4.2491 8.1247 120.3237 55.9295 29.4077 176.2494 24 A 4.0899 8.7315 130.2987 53.4581 19.0540 177.1327 25 F 4.4201 8.6723 121.9399 59.3742 38.7003 176.8448 26 T 4.0975 8.0306 108.6685 63.7156 68.5816 174.2435 27 D 4.4526 8.0847 120.3823 53.2208 39.7723 176.1165 28 N 4.1817 8.3723 117.2990 54.7652 38.0532 173.7756 29 Q 4.4211 8.3735 114.0165 55.9484 28.8975 175.5159 30 Y 4.6833 7.1997 115.9666 56.4318 39.0632 174.9923 31 S 4.3952 9.6756 116.7766 58.6682 62.8495 174.1505 32 R 4.8694 9.1791 125.4378 56.4475 30.9595 176.1751 33 A 4.5691 8.0969 122.4712 52.8466 19.3204 177.0698 34 H 4.9775 8.9272 115.8894 55.2844 32.3649 172.1536 35 T 5.0477 8.8566 107.1835 60.0438 72.2653 172.8149 36 W 5.4233 9.1664 123.4658 55.1169 32.1287 174.6180 37 E 5.0236 8.9541 123.5263 54.4856 32.9732 174.9630 38 F 5.1015 8.7368 121.0737 55.4860 42.6145 175.9634 39 D 4.4202 9.3731 120.9849 57.9474 40.6176 178.6735 40 G 3.7664 8.0868 104.1149 46.0650 0.0000 174.0024 41 G 4.1062 8.3182 108.4728 44.7771 0.0000 174.5738 42 S 4.3750 8.3566 115.4711 58.7521 63.9283 173.3790 43 K 5.2562 8.7944 122.5583 54.6695 34.8427 175.4613 44 I 4.6603 8.8545 124.4309 59.4080 41.1706 174.5610 45 L 4.6114 8.4098 126.0611 54.1986 42.9261 175.8277 46 A 4.7223 8.5377 125.1783 50.3048 22.9545 174.1908 47 S 5.2253 8.6182 112.0002 57.7431 66.5231 173.5061 48 A 4.5255 8.5835 124.1860 51.5139 19.1416 177.5832 49 S 4.2923 8.6238 114.7496 57.5854 63.0464 173.5410 50 P 5.1106 0.0000 0.0000 64.5752 31.3484 176.4489 51 H 4.7900 8.0300 115.6996 56.1114 28.8364 175.7945 52 V 4.2596 7.6443 117.8343 63.1190 33.9714 175.8345 53 V 4.3701 8.0359 118.9862 60.2244 34.1451 173.3201 54 P 4.0406 0.0000 0.0000 66.2080 31.3509 177.0093 55 V 3.8721 7.8426 114.7735 62.5211 31.7843 168.4678 56 P 4.6318 0.0000 0.0000 63.3682 31.3228 177.2910 57 L 4.0725 8.0427 121.6172 58.0355 41.7538 177.5644 58 S 4.6632 7.8075 111.0998 57.2449 64.4976 173.7269 59 V 4.2210 8.6275 122.1835 61.0156 32.2381 175.8070 60 E 3.8444 9.1163 127.7294 59.7532 29.2969 178.6842 61 A 4.2050 7.9159 117.3720 53.0791 18.7904 176.4479 62 N 5.0125 7.7378 113.6843 51.2547 41.0222 175.3562 63 V 4.1795 7.9446 121.2093 61.5366 33.2003 174.9046 64 D 5.7734 8.4000 122.1259 50.2886 42.3499 175.2613 65 P 4.6077 0.0000 0.0000 66.1580 31.2801 178.8622 66 E 4.0184 8.3231 116.5875 59.4517 29.4792 178.8593 67 E 4.0268 8.8317 118.5407 59.6011 29.5189 179.3351 68 A 4.1674 8.4033 120.6057 55.2634 18.5371 179.5006 69 F 4.1314 8.5672 119.1575 61.3033 39.4457 177.5166 70 V 3.5585 8.1514 117.7047 66.0469 31.4270 177.7011 71 A 3.9699 8.2735 120.3382 55.1241 18.1409 179.2763 72 A 3.8706 8.3099 119.4712 55.3300 18.4459 179.7522 73 L 3.7922 7.5384 117.1100 57.9918 41.5050 179.7594 74 S 4.0447 7.9067 111.4723 61.3743 62.4374 175.6736 75 S 4.1509 8.2390 114.7223 61.5806 62.4542 175.2704 76 C 4.1519 8.1168 121.2751 62.6797 31.2040 175.8166 77 H 3.9547 7.9247 116.1663 57.0897 29.0969 176.5256 *79 L 4.1243 7.8708 121.0806 54.3182 43.7544 179.4393 80 V 3.4658 7.6779 117.6696 65.7634 31.2947 177.6476 81 F 3.9008 8.2665 120.4940 61.4267 39.1108 177.1183 82 L 4.0533 7.9678 118.1286 57.8416 41.4451 179.5215 83 S 4.0678 7.7962 114.3484 61.3300 62.8148 176.5087 84 I 3.5511 7.6268 123.1910 64.1208 36.7902 178.1542 85 A 4.0128 7.9268 121.4627 55.2023 18.2975 179.5972 86 A 3.9188 8.2299 119.4416 55.0355 18.2212 179.7310 87 K 3.8512 7.9538 117.4063 59.6517 32.3892 178.3216 88 Q 4.0135 7.9247 114.8807 55.4557 28.7460 176.0157 89 R 3.7695 7.3396 117.7035 57.4684 27.9321 175.6516 90 Y 4.8218 7.7285 114.4764 56.9097 40.0207 175.3036 91 L 4.6516 8.7282 124.2792 53.7186 44.0268 174.9784 92 V 4.4639 8.4395 126.9614 61.9785 32.0785 175.2884 93 E 4.4142 9.2912 128.9939 59.0144 30.0976 177.0051 94 S 4.7375 7.6283 111.5456 57.4257 66.7415 172.6070 95 Y 4.9748 8.3601 121.3801 56.5786 41.6557 174.1568 96 T 4.7443 8.9082 123.1034 61.7719 72.5474 172.2353 97 D 5.1615 8.8185 125.5591 51.7142 43.4939 175.2264 98 N 4.7822 8.8833 124.1537 52.1810 38.4126 174.2303 99 A 4.9903 8.3551 125.3533 50.5335 21.2282 176.4792 100 V 4.4826 8.6397 119.0411 60.0093 34.9170 174.6217 101 G 4.5715 8.8952 110.3415 44.4799 0.0000 172.1680 102 I 4.6737 8.5394 122.1983 59.1219 40.2242 174.7337 103 L 4.7084 8.6925 127.7072 54.4049 42.4954 176.4121 104 G 4.1881 8.7577 111.2238 45.4888 0.0000 170.7138 105 K 4.9577 8.4773 119.2067 54.6259 34.3999 175.8438 106 N 4.2411 7.5181 117.6248 53.7312 41.9176 173.8677 107 S 4.7156 8.7292 111.0559 58.9866 63.8440 173.9233 108 K 4.2394 8.2149 115.9217 54.6338 30.0951 176.7156 109 G 4.1837 8.3211 116.0725 46.2507 0.0000 171.9913 110 K 4.5982 7.3546 119.7016 54.4116 34.4234 175.9935 111 T 4.6602 8.4566 121.9304 63.9221 69.2811 173.7143 112 S 4.4226 8.9284 120.0253 57.3547 67.3311 173.3497 113 V 4.3314 8.0833 120.4624 62.4807 30.6044 175.5496 114 T 4.2524 8.7574 120.6128 63.9202 70.2811 174.7839 115 K 5.1788 7.9299 121.8307 54.5838 36.2043 175.0230 116 V 4.8532 9.0741 126.4654 61.0726 34.8779 174.0385 117 V 4.7854 8.8179 127.6894 61.1479 33.9422 173.9540 118 L 4.8837 8.9403 128.2198 53.0347 43.5224 176.2558 119 R 5.3795 9.4764 121.6041 52.7202 30.2781 172.4984 120 P 4.3991 0.0000 0.0000 62.3561 33.6563 176.4152 121 Q 4.6002 8.9427 121.5725 54.0830 31.6151 174.4256 122 V 4.4240 8.1603 123.9822 60.8333 34.0270 174.5981 123 V 4.2471 8.3805 127.9090 61.3671 33.0867 174.3195 124 F 5.4425 8.8625 126.5571 55.9719 41.3860 174.7838 125 S 4.7112 8.6949 116.1884 57.3923 66.3960 173.4531 126 G 3.8361 8.6941 106.8050 45.0667 0.0000 172.5693 127 T 3.9300 8.4833 111.8948 64.2394 67.6037 175.3431 128 S 4.6431 7.9644 116.4201 56.7233 62.4740 172.8758 129 K 4.3937 8.2794 127.1186 53.4638 34.9806 174.7149 130 P 4.1470 0.0000 0.0000 62.3357 32.0432 176.5391 131 T 4.1007 8.5716 114.6227 61.2428 69.3984 175.4709 132 L 3.9391 8.3825 123.2811 58.1793 41.5826 179.8496 133 Q 4.0052 8.0133 117.0763 59.1610 28.4822 178.8804 134 Q 3.9939 7.8988 117.2506 58.7267 28.8794 178.0143 135 L 4.2006 7.8115 120.4643 58.2402 42.4302 178.3413 136 E 4.1928 8.7240 119.7729 58.8800 29.5331 180.0391 137 K 4.2016 7.9830 117.7237 57.5907 32.6003 178.4440 *139 H 5.0339 8.2090 118.8930 57.3614 31.0024 175.5483 140 H 4.4015 8.4951 116.5598 58.8185 28.2224 177.6317 141 L 3.9887 8.0878 121.0590 58.0359 42.3586 178.5457 142 A 4.1052 8.0323 120.3009 55.4263 17.9611 178.8847 143 H 4.2037 8.4528 116.7805 59.4807 29.7447 177.0638 144 E 4.0484 8.1809 120.0604 58.4692 29.4882 177.5262 145 N 5.0719 7.5464 113.0082 51.7907 39.5510 174.0789 146 C 4.1302 7.3965 121.9218 58.5846 31.7550 173.9980 147 F 4.5464 8.4864 127.0106 60.9912 38.7478 177.3587 148 I 3.8613 7.7868 118.6322 64.3491 36.6379 178.2396 149 A 3.9924 7.9395 121.1179 55.0083 18.0858 178.6528 150 N 4.5952 8.1701 112.8744 54.9505 38.7738 176.4890 151 S 4.5910 8.1177 115.9462 57.7587 64.0112 174.1570 152 V 4.6222 6.7389 113.3537 59.5452 33.8931 175.6973 153 E 4.2808 8.7885 121.2781 58.2306 30.0652 177.3507 154 T 3.8120 8.0463 114.0405 63.3766 69.1133 172.6710 155 E 4.1588 8.9978 127.2259 56.1991 30.6974 175.3846 156 V 4.8393 8.4984 127.3637 61.3422 33.4162 174.9209 157 V 4.5243 8.8568 121.4403 59.7839 35.1074 174.8542 158 T 4.8483 8.4004 119.8223 61.9477 71.0324 173.4659 159 E 4.4723 8.9234 127.4993 54.5587 31.1613 175.5197 160 I 3.9575 8.2614 129.0154 62.4993 38.0126 177.2748 161 I 3.4780 8.2388 124.4146 60.1305 36.0207 169.8556 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 9 S 8.33 4.44 0.00 3.93 3.94 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 0.00 0.00 0.00 10 E 8.45 4.50 0.00 1.99 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 2.19 2.38 0.00 11 H 9.67 4.86 0.00 3.09 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.73 4.86 0.00 3.99 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 13 A 8.26 4.77 1.11 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 0.00 0.00 14 I 8.73 4.30 1.81 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 1.09 0.76 0.91 0.00 0.00 15 V 8.41 4.96 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 1.02 0.00 0.00 0.70 0.00 0.00 16 T 9.14 4.85 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 17 W 9.07 5.26 0.00 3.24 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 K 7.80 4.19 0.00 1.43 1.39 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.27 7.81 19 R 7.47 3.02 0.00 1.54 1.61 0.00 3.56 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 20 K 8.69 4.13 0.00 1.86 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.29 7.81 21 D 8.43 4.48 0.00 2.62 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 22 S 8.79 3.78 0.00 4.01 3.99 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 23 E 8.12 4.25 0.00 2.11 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 2.61 2.43 0.00 24 A 8.73 4.09 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 25 F 8.67 4.42 0.00 3.44 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 26 T 8.03 4.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 27 D 8.08 4.45 0.00 2.80 2.84 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 0.00 0.00 0.00 28 N 8.37 4.18 0.00 2.76 2.87 0.00 0.00 7.06 7.10 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 29 Q 8.37 4.42 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 30 Y 7.20 4.68 0.00 3.58 3.30 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 31 S 9.68 4.40 0.00 3.90 3.96 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 32 R 9.18 4.87 0.00 2.08 2.13 0.00 3.10 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 33 A 8.10 4.57 1.27 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 0.00 0.00 0.00 34 H 8.93 4.98 0.00 3.69 3.78 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.86 5.05 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 1.20 0.00 0.00 36 W 9.17 5.42 0.00 3.21 2.65 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 37 E 8.95 5.02 0.00 1.74 1.73 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 2.19 2.22 0.00 38 F 8.74 5.10 0.00 3.05 2.97 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 39 D 9.37 4.42 0.00 2.72 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 40 G 8.09 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 41 G 8.32 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 0.00 0.00 0.00 42 S 8.36 4.37 0.00 4.21 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 0.00 43 K 8.79 5.26 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.44 7.81 44 I 8.85 4.66 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.33 0.72 0.00 0.00 45 L 8.41 4.61 0.00 1.49 1.48 0.88 0.90 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 46 A 8.54 4.72 -0.04 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 0.00 0.00 47 S 8.62 5.23 0.00 3.87 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 48 A 8.58 4.53 1.27 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 0.00 0.00 0.00 49 S 8.62 4.29 0.00 4.27 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 50 P 0.00 5.11 0.00 2.17 2.12 0.00 3.33 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 51 H 8.03 4.79 0.00 3.18 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.64 4.26 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 0.80 0.00 0.00 0.96 0.00 0.00 53 V 8.04 4.37 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 0.87 0.00 0.00 0.90 0.00 0.00 54 P 0.00 4.04 0.00 2.04 2.10 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 55 V 7.84 3.87 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 0.75 0.00 0.00 0.92 0.00 0.00 56 P 0.00 4.63 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 57 L 8.04 4.07 0.00 1.65 1.62 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.81 4.66 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.63 4.22 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 1.00 0.00 0.00 0.94 0.00 0.00 60 E 9.12 3.84 0.00 1.95 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 0.00 2.31 2.39 0.00 61 A 7.92 4.21 1.25 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 0.00 0.00 0.00 62 N 7.74 5.01 0.00 2.69 2.55 0.00 0.00 6.96 6.96 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 63 V 7.94 4.18 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 0.09 0.00 0.00 0.97 0.00 0.00 64 D 8.40 5.77 0.00 2.86 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 65 P 0.00 4.61 0.00 2.28 2.30 0.00 3.75 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 66 E 8.32 4.02 0.00 2.27 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 2.40 2.44 0.00 67 E 8.83 4.03 0.00 2.27 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 2.38 2.63 0.00 68 A 8.40 4.17 1.81 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 0.00 0.00 69 F 8.57 4.13 0.00 3.29 3.32 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 70 V 8.15 3.56 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 1.08 0.00 0.00 1.15 0.00 0.00 71 A 8.27 3.97 1.42 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 72 A 8.31 3.87 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 73 L 7.54 3.79 0.00 1.79 1.65 0.58 0.68 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 74 S 7.91 4.04 0.00 3.86 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 75 S 8.24 4.15 0.00 3.85 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 76 C 8.12 4.15 0.00 3.09 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 77 H 7.92 3.95 0.00 3.38 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 7.87 4.12 0.00 1.65 1.63 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.68 3.47 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 0.91 0.00 0.00 0.84 0.00 0.00 81 F 8.27 3.90 0.00 3.34 3.06 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 82 L 7.97 4.05 0.00 1.69 1.70 0.81 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 83 S 7.80 4.07 0.00 3.94 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 84 I 7.63 3.55 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.78 0.00 0.00 85 A 7.93 4.01 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 86 A 8.23 3.92 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 87 K 7.95 3.85 0.00 1.71 2.05 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 88 Q 7.92 4.01 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 89 R 7.34 3.77 0.00 1.75 1.92 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 90 Y 7.73 4.82 0.00 3.03 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 91 L 8.73 4.65 0.00 1.86 1.84 0.97 0.86 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 92 V 8.44 4.46 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 0.85 0.00 0.00 1.09 0.00 0.00 93 E 9.29 4.41 0.00 1.96 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 2.36 2.42 0.00 94 S 7.63 4.74 0.00 3.84 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 95 Y 8.36 4.97 0.00 2.89 2.65 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 96 T 8.91 4.74 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 97 D 8.82 5.16 0.00 2.85 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 98 N 8.88 4.78 0.00 2.61 2.77 0.00 0.00 7.06 7.35 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 99 A 8.36 4.99 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 0.00 100 V 8.64 4.48 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 0.95 0.00 0.00 101 G 8.90 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.67 1.89 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 1.24 0.73 0.92 0.00 0.00 103 L 8.69 4.71 0.00 1.51 1.61 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.76 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 0.00 105 K 8.48 4.96 0.00 1.86 1.80 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.34 7.81 106 N 7.52 4.24 0.00 2.88 2.89 0.00 0.00 6.68 7.79 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 0.00 107 S 8.73 4.72 0.00 3.79 3.80 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 0.00 108 K 8.21 4.24 0.00 1.78 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.26 7.81 109 G 8.32 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 0.00 0.00 0.00 110 K 7.35 4.60 0.00 1.67 1.70 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.38 7.81 111 T 8.46 4.66 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 1.24 0.00 0.00 112 S 8.93 4.42 0.00 3.78 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 0.00 113 V 8.08 4.33 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 1.01 0.00 0.00 0.52 0.00 0.00 114 T 8.76 4.25 4.26 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 1.25 0.00 0.00 115 K 7.93 5.18 0.00 1.82 1.64 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 116 V 9.07 4.85 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 0.99 0.00 0.00 1.08 0.00 0.00 117 V 8.82 4.79 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 0.90 0.00 0.00 0.93 0.00 0.00 118 L 8.94 4.88 0.00 1.48 1.59 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.48 5.38 0.00 1.77 1.73 0.00 3.09 0.00 0.00 3.29 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 120 P 0.00 4.40 0.00 1.35 1.76 0.00 3.64 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 1.61 1.68 0.00 121 Q 8.94 4.60 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 122 V 8.16 4.42 1.80 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 0.09 0.00 0.00 0.28 0.00 0.00 123 V 8.38 4.25 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 0.93 0.00 0.00 0.88 0.00 0.00 124 F 8.86 5.44 0.00 3.00 2.94 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 0.00 0.00 0.00 125 S 8.69 4.71 0.00 3.89 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 0.00 126 G 8.69 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.48 3.93 4.26 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 1.23 0.00 0.00 128 S 7.96 4.64 0.00 3.90 3.84 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 0.00 0.00 0.00 129 K 8.28 4.39 0.00 1.67 1.48 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.27 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 130 P 0.00 4.15 0.00 1.65 0.88 0.00 2.44 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 0.85 0.44 0.00 131 T 8.57 4.10 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 1.31 0.00 0.00 132 L 8.38 3.94 0.00 1.71 1.71 0.91 0.88 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 0.00 133 Q 8.01 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 134 Q 7.90 3.99 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 135 L 7.81 4.20 0.00 1.62 1.94 1.28 1.27 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 0.00 136 E 8.72 4.19 0.00 2.02 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 2.07 2.28 0.00 137 K 7.98 4.20 0.00 2.06 2.20 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.51 7.81 *139 H 8.21 5.03 0.00 3.50 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.50 4.40 0.00 3.37 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.09 3.99 0.00 1.76 1.73 0.94 0.93 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 0.00 142 A 8.03 4.11 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 0.00 143 H 8.45 4.20 0.00 3.39 3.56 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.18 4.05 0.00 2.31 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 2.36 2.54 0.00 145 N 7.55 5.07 0.00 2.82 2.79 0.00 0.00 6.98 7.05 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 0.00 146 C 7.40 4.13 0.00 3.10 2.97 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 0.00 147 F 8.49 4.55 0.00 2.99 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 0.00 148 I 7.79 3.86 1.80 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 1.56 0.93 0.72 0.00 0.00 149 A 7.94 3.99 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 0.00 150 N 8.17 4.60 0.00 2.94 2.91 0.00 0.00 6.97 7.04 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 0.00 151 S 8.12 4.59 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 0.00 152 V 6.74 4.62 2.30 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 0.77 0.00 0.00 0.97 0.00 0.00 153 E 8.79 4.28 0.00 2.00 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 2.31 2.36 0.00 154 T 8.05 3.81 4.40 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 1.38 0.00 0.00 155 E 9.00 4.16 0.00 2.10 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 2.32 2.28 0.00 156 V 8.50 4.84 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 0.89 0.00 0.00 1.01 0.00 0.00 157 V 8.86 4.52 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 0.67 0.00 0.00 0.92 0.00 0.00 158 T 8.40 4.85 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 1.03 0.00 0.00 159 E 8.92 4.47 0.00 1.84 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 2.21 2.23 0.00 160 I 8.26 3.96 1.82 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 0.92 0.34 0.86 0.00 0.00 161 I 8.24 3.48 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 1.16 0.48 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.