NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4241 8.1744 117.3889 62.8790 69.9309 173.0438 6 W 4.2670 8.8783 134.5449 56.9323 31.3455 173.8055 7 Q 4.3651 7.5431 124.9222 53.5264 30.6101 175.2372 8 V 3.8393 8.2199 122.5135 62.6414 32.1049 176.0166 9 R 4.1307 8.8799 122.9581 55.5865 31.1063 175.4424 10 D 4.6408 8.7110 125.5592 53.0515 41.4270 175.2948 11 L 4.6728 8.8181 126.2911 54.5880 41.8974 179.2881 12 R 4.0950 8.1197 119.4533 58.4290 30.0057 177.7512 13 R 4.4885 7.9619 114.9626 55.7889 30.4823 176.2742 14 I 4.2435 7.5015 120.8187 59.8134 36.4242 175.2343 15 L 4.6569 8.0619 122.9584 54.0199 43.3639 176.5801 16 R 4.6629 7.6891 119.7607 54.9962 31.7976 177.2909 17 V 3.4755 8.4679 124.6494 65.0822 31.3750 178.9050 18 S 3.8867 7.8368 115.3062 61.2463 62.7528 176.2219 19 E 3.9745 7.9723 121.4580 58.8785 29.4008 178.3354 20 L 3.9799 8.1595 120.8287 58.2396 42.2318 178.9361 21 R 3.7208 7.7374 118.0344 59.5352 29.9671 179.0457 22 Q 4.0140 7.8720 117.0071 59.3630 28.6219 178.6285 23 H 4.2267 8.4439 117.2396 58.7534 28.7191 177.9561 24 L 4.1499 8.4002 121.1656 57.6378 41.5771 179.3444 25 R 3.9153 8.1671 118.7324 59.6280 29.9947 178.4142 26 Q 4.0036 8.3014 119.0431 59.0117 28.9798 177.7554 27 A 4.3017 8.4289 122.1948 55.3480 18.3476 179.6327 28 R 3.7956 8.0654 116.9881 59.8431 30.0764 178.7146 29 T 3.8733 7.7670 115.0094 66.9187 68.2728 176.2554 30 D 4.4940 8.3931 119.6467 57.3458 41.1862 178.3525 31 F 3.2584 8.3324 121.2131 61.1183 39.3947 177.4245 32 R 3.7649 8.2329 118.1149 59.0647 29.5649 179.0887 33 S 4.2232 7.6690 113.2671 60.8168 63.1860 175.7347 34 T 4.1839 7.3835 111.5848 62.5440 69.0281 175.4619 35 L 4.4186 7.0291 120.6214 54.4006 42.4391 177.4338 36 S 4.2053 8.0752 115.2698 59.9686 62.9007 174.4037 37 Q 4.4504 7.0058 117.3826 54.5425 31.2417 171.0689 38 F 3.5080 8.9464 128.6516 58.2402 39.4597 174.9671 39 V 4.1778 7.4216 119.0288 61.0119 32.9773 175.3486 40 Y 4.4060 6.3718 117.6786 57.3519 38.5663 175.0778 41 F 5.1780 7.9919 113.2044 56.3231 41.2662 173.9560 42 N 5.0905 7.7025 120.1826 51.4551 40.8413 173.4284 43 R 4.2131 8.3834 124.5697 55.3288 31.0604 176.6287 44 S 4.3612 8.1470 118.4435 59.1508 63.4731 175.0961 45 V 3.7801 9.1769 124.4279 65.6021 31.4799 177.7021 46 V 3.9013 7.6044 110.4493 62.2487 31.9819 175.5711 47 N 4.9174 7.7434 117.5266 50.5269 41.2095 173.4212 48 P 4.2543 0.0000 0.0000 65.3123 31.7030 177.3645 49 N 4.4563 8.0805 114.8478 54.6569 39.0575 174.3862 50 A 4.8250 7.5526 120.3510 50.3371 22.3665 174.7262 51 Y 4.6645 8.3735 117.0744 56.5480 39.4544 176.2331 52 D 4.7084 8.8968 122.1597 53.3099 40.7097 175.7668 53 D 4.8634 8.7644 118.1927 55.2566 41.1611 176.1009 54 E 4.5460 8.9728 122.6968 55.5458 30.3439 175.1652 55 Y 4.8174 8.3245 124.2635 54.9101 41.7190 174.6371 56 L 4.4756 8.6834 121.2602 54.4995 42.8817 176.9632 57 L 4.4116 8.2915 122.9627 53.4049 41.7969 176.6701 58 S 4.1013 8.6575 119.6646 61.0562 62.6740 174.4029 59 D 4.6093 7.6094 120.6310 51.8502 39.3951 174.1871 60 Q 4.5106 7.3613 120.4215 54.3249 32.2216 174.0567 61 R 4.1475 8.2006 122.5631 55.5564 30.9391 176.5090 62 L 4.1551 8.1774 120.5736 55.2828 42.2465 176.5501 63 T 4.4760 8.1457 112.2318 59.9065 72.6207 172.1871 64 Y 4.8827 8.5698 119.1768 56.0053 41.6723 175.0945 65 V 4.6063 8.6250 123.6222 61.3173 33.7013 174.1192 66 Y 5.0434 8.7628 126.1522 58.0850 39.5833 175.1404 67 V 4.9579 9.4740 115.7782 59.6714 37.3767 174.1212 68 D 5.5661 8.6379 121.1150 51.8074 40.8837 177.0494 69 E 2.5400 8.6953 119.0651 59.0154 29.2709 178.8657 70 V 3.4794 7.6141 117.5702 66.2025 31.7546 177.8004 71 T 3.9349 7.9986 114.8212 66.6682 68.3192 176.2040 72 A 3.9682 7.8893 122.4924 55.2835 17.9264 179.5353 73 Q 3.8279 7.6712 117.5712 59.3512 28.9397 178.4225 74 L 4.0263 8.0143 119.1755 57.6800 42.0097 178.8508 75 C 4.3712 8.6070 117.0229 62.3898 28.2131 176.3867 76 G 3.6594 7.8563 108.1976 48.3131 0.0000 174.3644 77 L 4.3449 7.4737 117.0268 55.6182 42.0307 176.9245 78 N 4.9896 7.7726 115.3091 52.3517 39.9859 174.4550 79 R 4.0653 8.0582 114.0976 56.6693 27.7324 175.6592 80 L 5.3044 7.8337 114.9711 52.8316 45.2847 176.7897 81 L 4.7118 9.1316 126.0074 52.6935 43.9500 173.8112 82 P 5.1013 0.0000 0.0000 61.8780 33.0355 175.9633 83 S 4.8308 9.2543 116.4588 57.6694 64.5103 173.8549 84 N 5.7442 9.1810 117.4857 51.2018 38.5694 173.8539 85 S 4.8261 7.9456 112.5518 56.7017 65.4099 171.7348 86 P 4.3070 0.0000 0.0000 62.8662 31.6702 175.3916 87 A 2.9335 8.8557 117.6700 53.2125 15.8560 177.2605 88 F 4.0780 7.8834 113.4595 59.9552 36.3876 175.4082 89 G 4.0899 7.8775 108.3109 46.0138 0.0000 173.6857 90 T 5.1118 8.6657 120.9542 61.6870 71.1001 173.2383 91 V 4.6742 9.5781 127.6812 61.6626 32.7419 174.9475 92 A 5.1450 9.5204 128.9630 50.5678 22.9625 174.3860 93 T 4.5393 8.3868 112.1350 60.1880 71.2876 173.4153 94 A 4.5116 8.5177 129.7956 50.8075 17.2160 175.1891 *96 P 2.9700 0.0000 0.0000 61.1527 32.3755 176.7085 97 P 4.1405 0.0000 0.0000 63.9420 31.1356 177.3821 98 W 4.6481 6.7277 112.3628 56.0787 28.8802 177.0115 99 L 3.9500 7.2800 121.6745 57.7727 41.6437 176.6647 100 L 4.7294 7.1027 116.4050 52.0790 44.3359 176.1002 101 D 4.4880 8.3042 120.7524 52.6419 39.9335 175.6762 102 P 4.1329 0.0000 0.0000 66.0123 31.6338 177.5209 103 Q 4.0424 8.3392 120.1468 58.7791 29.4005 177.2707 104 E 4.0060 8.1055 118.3619 56.4426 29.5315 177.9854 *106 N 4.4988 8.4189 116.5195 53.0818 40.8388 175.7145 107 A 3.9662 7.9234 119.7601 55.5414 18.1965 179.7757 108 I 3.7100 7.5632 117.6920 64.4310 37.1684 178.7333 109 L 3.9090 7.6772 119.3990 57.7630 41.1659 179.4031 110 Q 3.9665 7.9015 117.3396 59.0070 28.6892 178.5413 111 Q 4.0854 7.6952 118.0986 58.2747 28.7547 177.9428 112 S 4.4628 7.4153 114.9671 58.3763 63.7881 174.2457 113 C 5.0831 7.3284 117.7742 56.5969 31.3602 174.5396 114 G 3.9655 8.6422 113.1137 44.8871 0.0000 172.2279 115 Q 4.4561 9.1531 117.6109 54.7915 30.1556 174.9237 116 G 3.3049 8.5166 111.4509 45.2883 0.0000 174.1530 117 G 3.9760 7.5628 109.8097 44.0098 0.0000 173.5593 118 F 4.0516 9.1620 121.9486 60.5337 39.6272 175.4640 119 V 3.9853 8.2666 120.9493 61.0061 32.5265 173.9075 120 N 4.5563 8.0360 125.1671 51.5520 39.4556 174.0909 121 Y 4.9536 7.8419 123.2871 60.0830 38.2023 178.1104 122 H 4.4528 8.2407 115.9849 57.7955 28.8642 176.0354 123 H 4.3909 8.2442 116.4684 56.5822 28.9125 174.7216 124 G 3.8753 8.0597 105.5646 43.5623 0.0000 172.5813 125 P 4.8794 0.0000 0.0000 64.5942 31.6102 179.1337 126 S 4.1997 8.2505 112.9781 61.2250 62.8381 175.7809 127 T 4.4405 8.4243 110.4120 62.6714 69.2364 174.9886 128 N 5.3406 8.6361 120.7239 52.8777 37.8776 175.7680 129 S 4.6174 8.4678 113.6717 60.5292 64.6320 172.8996 130 F 5.4423 8.9410 119.2745 56.0778 43.9211 173.2381 131 F 5.4315 8.8140 113.4489 55.7244 41.6529 173.1709 132 L 5.2960 9.2193 120.3456 53.0588 44.6125 175.1734 133 A 4.9093 9.3271 126.4990 50.3708 21.0137 175.9258 134 I 4.6046 8.3020 115.5361 59.2857 41.6580 175.6244 135 L 4.4125 7.7206 122.9748 53.3827 44.0662 175.6150 *137 S 4.4481 8.1948 113.5936 58.6379 63.9082 174.2786 138 Q 4.0302 7.8094 117.8969 58.2477 28.1177 177.4684 139 L 4.0151 7.3508 118.0708 56.1749 42.0030 177.1585 140 F 4.4448 7.9957 118.4082 56.9562 39.6023 174.6804 141 I 4.7517 8.5687 118.8433 58.7266 40.7870 174.7916 142 R 4.3508 8.8178 125.5629 56.7372 30.3302 176.4209 143 I 4.3999 8.3896 120.5415 61.8380 39.8691 175.1640 144 R 4.9635 7.1338 117.0857 56.8094 32.4639 173.3351 145 T 5.1448 8.4849 115.1312 62.0345 71.2022 173.7553 146 D 4.8718 9.4267 127.1569 53.3012 43.1012 175.8202 147 V 4.8506 8.4425 121.9525 61.4039 33.7054 174.9702 148 I 4.3166 9.0787 130.1553 60.2618 38.4937 176.2159 149 R 3.9788 9.6501 127.1420 57.3333 27.1496 177.7180 150 G 3.9550 8.4504 104.4401 45.0778 0.0000 172.6704 151 Q 4.5068 7.8133 121.6766 54.0232 31.2071 174.9095 152 G 4.1558 8.5152 113.7764 46.1589 0.0000 172.4407 153 Y 4.7011 9.3735 120.5470 55.6122 41.6604 175.3804 154 G 3.8232 8.8912 111.9704 45.9520 0.0000 171.9833 155 W 5.0505 8.9188 122.8243 54.8233 32.6023 174.4612 156 Y 5.4600 9.3680 119.9098 56.4219 42.3790 174.0592 157 A 5.0328 9.2672 123.8332 50.1910 22.8140 174.9403 158 R 4.0516 8.4249 123.4948 55.1846 30.8569 175.8923 159 L 3.4741 9.1324 128.9668 56.9452 40.0990 173.8755 160 G 4.0401 8.7928 111.3732 46.1388 0.0000 172.9118 161 N 4.7440 8.0936 113.3024 51.7133 36.9806 173.6494 162 Y 4.8564 7.5472 117.5249 56.0086 42.5506 175.1088 163 V 4.5291 8.1179 114.3265 58.9311 35.0902 175.4625 164 E 4.2517 8.7476 123.0225 56.5190 30.1486 178.1061 165 E 4.0944 8.8702 121.7097 57.0303 29.0497 178.7836 *183 E 4.2274 8.3054 119.8783 57.1288 31.3054 176.6255 184 E 4.1168 8.2013 117.6872 56.8547 29.6516 176.5083 185 T 4.4298 8.4888 117.2010 61.8407 68.9067 174.0948 186 R 4.5721 7.7270 119.4297 56.2344 31.4206 175.5454 187 E 4.3466 9.5130 124.9579 55.2323 30.8949 175.0327 188 F 5.3758 7.6822 120.2729 56.0969 40.9911 173.5153 189 Q 4.2228 8.9046 118.8160 55.5934 29.1647 176.4346 190 L 4.5263 7.9371 122.2695 52.8684 42.5027 175.3761 191 S 3.9039 7.5625 116.3908 57.1868 65.4986 174.9646 192 D 4.8312 8.6328 118.9117 56.0232 41.8480 176.4182 193 L 5.1041 7.8326 117.9902 52.6536 44.8928 175.9023 194 I 4.6163 8.5015 117.2398 58.9790 41.0027 174.5828 195 H 5.0072 9.1781 122.2246 56.3142 28.8664 174.4597 196 Y 4.4215 9.0401 123.4513 55.7886 42.8321 171.9803 197 P 4.4904 0.0000 0.0000 62.5908 31.8435 175.6522 198 I 4.2842 8.2169 124.5865 59.8017 38.7303 175.7359 199 V 3.6306 8.1721 125.7988 65.4806 32.1887 175.4939 200 A 5.4248 7.8301 120.4073 50.4059 22.9144 174.3488 201 L 4.9460 8.4483 119.3789 54.4155 44.3994 175.9922 202 G 3.6453 7.2086 105.7271 45.9926 0.0000 171.6941 203 S 4.5156 8.5729 113.5072 56.4875 64.9573 173.9445 204 C 4.5270 8.5525 121.4118 59.7227 28.5175 174.5982 205 H 4.5741 7.9557 121.3794 55.0522 27.6894 173.9564 206 L 5.0504 7.4464 121.6338 53.4644 44.3959 176.3358 207 T 4.8277 8.6280 110.6056 59.3415 73.0317 174.1557 208 R 4.1373 8.4437 117.1224 56.5498 29.2014 176.5369 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 5 T 8.17 4.42 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 1.35 0.00 0.00 6 W 8.88 4.27 0.00 3.55 3.17 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 7 Q 7.54 4.37 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 8 V 8.22 3.84 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 0.69 0.00 0.00 1.11 0.00 0.00 9 R 8.88 4.13 0.00 1.88 1.97 0.00 3.20 0.00 0.00 2.90 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 10 D 8.71 4.64 0.00 2.65 2.60 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 11 L 8.82 4.67 0.00 1.89 1.72 1.14 0.81 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 12 R 8.12 4.10 0.00 1.99 2.12 0.00 3.29 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 13 R 7.96 4.49 0.00 1.77 1.92 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 14 I 7.50 4.24 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.81 0.00 0.00 15 L 8.06 4.66 0.00 1.65 1.76 0.97 1.03 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 16 R 7.69 4.66 0.00 1.82 1.80 0.00 3.12 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 17 V 8.47 3.48 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 0.74 0.00 0.00 0.48 0.00 0.00 18 S 7.84 3.89 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.97 3.97 0.00 2.06 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 2.36 2.43 0.00 20 L 8.16 3.98 0.00 1.81 1.74 1.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.74 3.72 0.00 1.76 1.71 0.00 2.21 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 22 Q 7.87 4.01 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 23 H 8.44 4.23 0.00 3.37 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.40 4.15 0.00 1.90 1.94 1.28 1.20 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 25 R 8.17 3.92 0.00 2.06 2.12 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 Q 8.30 4.00 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 27 A 8.43 4.30 1.59 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 28 R 8.07 3.80 0.00 1.91 2.11 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 29 T 7.77 3.87 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 1.24 0.00 0.00 30 D 8.39 4.49 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.33 3.26 0.00 2.16 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 32 R 8.23 3.76 0.00 1.97 1.89 0.00 3.14 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 33 S 7.67 4.22 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.38 4.18 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 1.43 0.00 0.00 35 L 7.03 4.42 0.00 1.54 1.51 0.56 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.08 4.21 0.00 3.98 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 37 Q 7.01 4.45 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.15 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 38 F 8.95 3.51 0.00 3.08 3.11 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 39 V 7.42 4.18 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 0.64 0.00 0.00 0.59 0.00 0.00 40 Y 6.37 4.41 0.00 1.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 5.18 0.00 3.13 3.11 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 42 N 7.70 5.09 0.00 2.88 2.72 0.00 0.00 7.26 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 43 R 8.38 4.21 0.00 1.69 1.59 0.00 3.09 0.00 0.00 2.86 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.41 0.00 44 S 8.15 4.36 0.00 4.11 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.18 3.78 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 0.73 0.00 0.00 0.91 0.00 0.00 46 V 7.60 3.90 2.06 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 0.00 0.00 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 64 Y 8.57 4.88 0.00 2.53 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 0.00 0.00 0.00 0.00 65 V 8.62 4.61 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 1.15 0.00 0.00 0.92 0.00 0.00 66 Y 8.76 5.04 0.00 3.16 3.03 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 67 V 9.47 4.96 2.21 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 0.89 0.00 0.00 1.11 0.00 0.00 68 D 8.64 5.57 0.00 2.87 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 69 E 8.70 2.54 0.00 1.84 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 0.00 2.04 1.56 0.00 70 V 7.61 3.48 2.19 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 1.11 0.00 0.00 0.89 0.00 0.00 71 T 8.00 3.93 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 A 7.89 3.97 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 73 Q 7.67 3.83 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 74 L 8.01 4.03 0.00 1.65 1.71 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.61 4.37 0.00 3.04 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.86 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 77 L 7.47 4.34 0.00 1.78 1.72 0.91 0.92 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 78 N 7.77 4.99 0.00 2.88 2.78 0.00 0.00 7.05 6.97 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 79 R 8.06 4.07 0.00 2.10 2.17 0.00 3.45 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 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0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.06 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 0.00 0.00 0.00 125 P 0.00 4.88 0.00 2.21 2.13 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 126 S 8.25 4.20 0.00 4.07 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 0.00 127 T 8.42 4.44 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 1.34 0.00 0.00 128 N 8.64 5.34 0.00 2.74 3.06 0.00 0.00 6.63 7.98 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 0.00 129 S 8.47 4.62 0.00 4.02 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 0.00 130 F 8.94 5.44 0.00 3.22 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 0.00 131 F 8.81 5.43 0.00 2.84 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 0.00 132 L 9.22 5.30 0.00 1.57 1.60 0.94 0.91 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 0.00 133 A 9.33 4.91 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 0.00 134 I 8.30 4.60 1.85 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.87 0.00 0.00 135 L 7.72 4.41 0.00 1.61 1.59 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *137 S 8.19 4.45 0.00 4.22 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 0.00 138 Q 7.81 4.03 0.00 1.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 139 L 7.35 4.02 0.00 1.39 1.40 0.17 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.00 4.44 0.00 3.04 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 0.00 141 I 8.57 4.75 1.94 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 1.32 1.36 0.94 0.00 0.00 142 R 8.82 4.35 0.00 2.04 1.90 0.00 3.15 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 143 I 8.39 4.40 1.94 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 1.30 0.84 1.00 0.00 0.00 144 R 7.13 4.96 0.00 1.82 2.01 0.00 2.95 0.00 0.00 3.11 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 145 T 8.48 5.14 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 1.27 0.00 0.00 146 D 9.43 4.87 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.44 4.85 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 0.90 0.00 0.00 0.97 0.00 0.00 148 I 9.08 4.32 2.06 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 1.39 1.16 0.91 0.00 0.00 149 R 9.65 3.98 0.00 2.00 2.02 0.00 3.42 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 150 G 8.45 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 0.00 151 Q 7.81 4.51 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.05 1.56 0.00 152 G 8.52 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 9.37 4.70 0.00 2.94 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 0.00 154 G 8.89 3.82 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 0.00 0.00 0.00 155 W 8.92 5.05 0.00 3.26 3.10 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 0.00 0.00 0.00 0.00 156 Y 9.37 5.46 0.00 2.98 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 0.00 157 A 9.27 5.03 0.71 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 0.00 158 R 8.42 4.05 0.00 0.67 1.00 0.00 2.73 0.00 0.00 2.86 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.00 159 L 9.13 3.47 0.00 1.91 1.70 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.79 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.09 4.74 0.00 2.41 2.60 0.00 0.00 6.54 7.46 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 0.00 162 Y 7.55 4.86 0.00 3.06 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 0.00 163 V 8.12 4.53 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 0.74 0.00 0.00 0.96 0.00 0.00 164 E 8.75 4.25 0.00 1.96 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 2.33 2.36 0.00 165 E 8.87 4.09 0.00 2.20 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 2.30 0.00 *183 E 8.31 4.23 0.00 2.03 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 2.23 2.36 0.00 184 E 8.20 4.12 0.00 2.01 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 2.43 2.43 0.00 185 T 8.49 4.43 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 1.26 0.00 0.00 186 R 7.73 4.57 0.00 2.27 2.12 0.00 3.34 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 187 E 9.51 4.35 0.00 2.00 1.83 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 2.19 2.17 0.00 188 F 7.68 5.38 0.00 3.02 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 0.00 189 Q 8.90 4.22 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 190 L 7.94 4.53 0.00 1.31 1.13 0.76 1.03 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 0.00 191 S 7.56 3.90 0.00 3.84 3.61 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 0.00 192 D 8.63 4.83 0.00 2.83 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 0.00 193 L 7.83 5.10 0.00 1.33 1.34 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.50 4.62 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.97 0.00 0.00 195 H 9.18 5.01 0.00 3.39 3.43 0.00 5.70 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 0.00 196 Y 9.04 4.42 0.00 3.07 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 P 0.00 4.49 0.00 1.89 2.01 0.00 2.20 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.80 0.00 198 I 8.22 4.28 1.93 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 1.48 0.84 0.97 0.00 0.00 199 V 8.17 3.63 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 0.82 0.00 0.00 -0.28 0.00 0.00 200 A 7.83 5.42 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 0.00 201 L 8.45 4.95 0.00 1.60 1.69 0.93 0.67 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 0.00 202 G 7.21 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.57 4.52 0.00 3.07 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.55 4.53 0.00 2.99 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 0.00 205 H 7.96 4.57 0.00 2.94 3.16 0.00 5.93 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 0.00 206 L 7.45 5.05 0.00 1.60 1.65 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 207 T 8.63 4.83 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 1.14 0.00 0.00 208 R 8.44 4.14 0.00 1.81 1.94 0.00 3.05 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.