NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5126 8.2233 120.1950 53.5503 43.0912 175.3084 8 P 4.2688 0.0000 0.0000 61.9904 31.5438 174.0043 9 L 4.0775 8.7330 126.7974 57.5412 43.2370 176.9413 10 L 4.8049 7.6273 121.4965 51.3534 41.9838 172.4312 11 P 4.2667 0.0000 0.0000 63.9279 31.7287 177.7727 12 G 3.9576 8.8961 109.5096 45.3462 0.0000 173.0070 13 Y 4.3925 7.4517 118.3429 58.7882 40.4836 174.6863 14 S 4.4736 7.6105 110.3475 57.9691 65.2297 173.0787 15 F 4.6462 8.5771 118.3802 57.0926 40.3431 176.3066 16 N 4.3931 8.1735 119.3725 53.6974 38.6745 175.1873 17 A 4.8924 8.3751 123.2981 51.6782 19.9882 176.6224 18 H 4.9441 8.1903 112.9867 56.8795 32.4597 173.6942 19 L 5.2289 8.5624 118.7433 53.7468 45.2324 175.5054 20 V 4.7975 9.6455 125.4263 61.3108 35.2798 173.8625 21 A 4.3754 8.2771 126.7578 50.1964 22.9673 174.3512 22 G 3.5057 6.3090 104.7210 45.8512 0.0000 172.1854 23 L 5.1560 8.5492 120.9914 53.5828 45.2402 176.4925 24 T 4.4045 8.5732 121.4473 60.9361 70.0211 170.7052 25 P 3.8975 0.0000 0.0000 60.4731 29.2770 175.7428 26 I 3.7708 7.8304 127.4344 62.7687 38.8365 175.1658 27 E 4.4267 8.0681 123.7811 55.4214 32.7915 177.6035 28 A 3.4234 8.2427 119.0336 52.1928 19.2798 177.1955 29 N 4.9972 7.8207 110.5192 52.1752 40.7703 175.3760 30 G 3.9582 7.9169 109.0204 45.1646 0.0000 175.6147 31 V 3.8031 8.2948 111.5810 63.8044 31.5724 177.7359 32 L 4.3903 7.7987 118.0514 56.0643 42.0639 176.9255 33 D 4.5145 7.5177 118.3138 53.9548 38.8745 174.5634 34 F 5.0364 7.2308 118.4474 55.7285 40.6351 173.4047 35 F 4.9506 9.1221 118.4555 56.0548 41.3480 175.3918 36 I 4.3841 8.2008 123.6588 60.0952 38.9760 174.4476 37 D 4.9077 8.5822 125.5188 53.0401 43.6780 175.0562 38 R 4.4889 8.8959 127.8416 52.8963 29.4732 174.9016 39 P 4.1508 0.0000 0.0000 65.4737 31.5052 178.0699 40 L 4.4368 7.9530 116.0290 53.3827 42.5748 177.6825 41 G 4.2396 8.1938 107.1742 46.0229 0.0000 173.0448 42 M 4.8464 8.2314 120.8650 53.7994 36.0951 177.0986 43 K 4.0144 8.9285 122.2253 56.7675 32.1503 177.8194 44 G 4.1577 7.9757 103.6830 45.0225 0.0000 172.4635 45 Y 4.7440 8.3766 117.0364 57.0155 39.8510 175.3074 46 I 5.4987 8.8104 122.2080 59.6991 41.3478 174.3882 47 L 5.5254 9.4682 126.1463 53.0802 44.8461 174.8287 48 N 5.7139 9.5700 122.7810 51.7165 41.8388 172.5742 49 L 4.9570 9.1950 128.2727 53.4786 45.0480 174.8795 50 T 4.8655 8.3578 123.4639 62.5717 69.4151 175.2181 51 I 4.1885 8.7438 120.6276 61.7593 39.6900 176.1412 52 R 4.3914 7.9609 121.8983 56.2201 33.3481 176.1713 53 G 4.7216 9.0299 112.5892 45.9597 0.0000 172.1572 54 Q 4.7441 8.4258 116.3374 54.2927 33.6650 174.3470 55 G 3.0411 8.2968 107.9057 43.8819 0.0000 171.9634 56 V 4.7451 7.8072 111.9700 59.6961 35.4578 175.4577 57 V 5.0752 9.3127 119.5779 59.8472 34.0816 175.3527 58 K 5.1903 9.4278 122.9037 55.1337 36.4561 176.0780 59 N 4.4359 8.8995 121.6404 53.3677 41.4435 174.6468 60 Q 3.4021 9.7764 127.5544 56.9543 26.1943 174.6076 61 G 3.9716 8.0443 104.5871 45.2473 0.0000 173.0017 62 R 4.3751 7.5591 119.3875 55.0995 31.1717 174.9621 63 E 5.3362 8.6904 121.0723 54.5252 32.7109 175.0177 64 F 5.0399 9.7611 126.3750 56.4201 42.6920 173.5245 65 V 4.2822 7.8214 126.1980 61.6253 32.7225 174.3515 66 C 4.4736 8.4894 125.9667 57.2692 31.7465 174.1097 67 R 4.8173 9.1879 123.6019 53.8895 32.4868 170.8186 68 P 4.4686 0.0000 0.0000 65.7682 31.5552 177.3271 69 G 3.9429 9.4949 112.0183 44.9501 0.0000 172.9979 70 D 4.6666 8.2358 121.0222 53.7693 42.4510 175.3759 71 I 4.8471 8.5881 124.5921 59.7025 39.6159 174.7058 72 L 5.3913 9.1896 127.2943 52.9024 44.8603 175.1366 73 L 5.0045 8.3771 123.7376 53.2461 45.0740 175.0644 74 F 4.7903 9.2921 125.3626 55.0440 41.3176 173.4203 75 P 4.0134 0.0000 0.0000 60.7513 32.9798 174.4909 76 P 5.1136 0.0000 0.0000 63.8079 31.5230 176.3191 77 G 4.0735 8.9250 111.0177 44.5780 0.0000 173.5191 78 E 4.1950 7.8987 120.4814 56.3117 30.8108 176.5024 79 I 4.3900 8.4893 126.1952 61.7410 38.4011 174.8826 80 H 4.9836 8.5325 122.4914 54.4965 31.9328 172.9121 81 H 5.5317 9.1055 119.8623 57.1130 31.8300 171.5860 82 Y 5.5236 6.4572 122.7828 56.3687 41.9309 173.6656 83 G 2.9475 7.1713 104.6033 45.3879 0.0000 172.1965 84 R 4.2051 8.2631 120.4750 56.1349 31.0674 176.2051 85 H 4.1814 8.9334 126.7730 55.9083 30.2237 174.2843 86 P 4.3133 0.0000 0.0000 65.4966 31.4004 177.2998 87 E 4.6646 7.7038 112.8205 55.1303 30.5614 180.7537 88 A 4.8592 7.9885 123.8078 51.5190 22.3059 177.9944 89 R 4.3459 8.7727 121.8270 59.8253 30.6233 175.9809 90 E 4.8798 7.9785 115.6686 55.0897 33.8588 174.3873 91 W 6.0145 8.9666 128.6155 56.5293 32.4230 171.3668 92 Y 4.8194 9.4238 122.9858 56.7383 38.7365 173.9675 93 H 5.2287 8.1672 119.8232 53.8723 32.1970 172.5343 94 Q 5.1617 9.1097 120.4985 54.3936 31.2344 174.6423 95 W 6.3000 9.0850 118.8859 54.0623 32.6676 174.3317 96 V 4.9664 8.8589 119.5033 60.5274 34.4459 172.9809 97 Y 5.9042 10.2952 128.4529 56.0230 40.7444 174.3633 98 F 5.4632 8.9082 120.7204 55.6910 42.5087 173.1515 99 R 4.9508 8.6733 118.6944 53.4975 31.4745 175.0106 100 P 4.4414 0.0000 0.0000 62.3701 32.1329 176.6796 101 R 3.5851 6.9920 120.9412 55.5299 30.2609 177.1870 102 A 3.8776 8.5591 123.2038 55.9296 18.3298 179.3783 103 Y 4.3723 8.2640 108.9562 57.5050 38.0018 176.2851 104 W 3.8183 7.6242 123.9681 58.7062 30.3402 178.8416 *105 H 4.0162 7.7234 115.0867 57.7627 27.5061 181.9255 106 E 3.9737 8.0547 118.0922 59.2375 29.1675 178.2866 107 W 4.8429 7.5730 114.8317 57.2362 29.0065 176.6177 108 L 4.7008 7.9702 117.4918 54.6661 41.9952 177.4251 109 N 4.7757 8.0701 119.0816 52.2802 37.2760 174.1909 110 W 4.5598 7.7517 120.1903 55.4770 31.0586 175.6876 111 P 4.4155 0.0000 0.0000 62.7510 31.9974 175.9232 112 S 5.2633 8.6115 118.6462 57.6403 64.1226 174.3540 113 I 3.7854 8.1327 115.3701 59.9500 38.4180 175.9199 114 F 4.8963 8.0934 119.9261 57.3911 39.8863 176.3970 115 A 3.6730 8.3044 125.9499 53.8325 17.6292 177.6444 116 N 4.9552 8.7558 113.6292 56.0438 39.4562 174.2328 117 T 4.2707 7.9133 115.6604 61.3368 69.3872 175.2337 118 G 4.7347 8.2801 114.5817 47.2511 0.0000 170.7703 119 F 5.7338 8.0603 114.3250 55.5592 41.5353 174.2268 120 F 4.4787 9.2698 122.4856 57.7508 42.3861 172.8984 121 R 4.1643 8.0803 127.8374 53.5834 31.2247 173.7573 122 P 3.7557 0.0000 0.0000 61.7404 32.1102 176.7509 123 D 4.6143 8.2331 122.9360 53.4736 41.4426 177.6294 124 E 3.9301 8.7397 118.7221 61.4471 29.3205 178.7607 125 A 4.2663 8.0171 118.7681 54.1784 18.8198 177.9937 126 H 4.9012 7.7515 113.3335 56.1744 30.7461 175.8929 127 Q 4.0394 8.3381 122.0562 59.0266 28.6828 176.9818 128 P 4.2591 0.0000 0.0000 65.9389 31.4023 177.6098 129 H 4.0995 8.3145 116.1729 59.7650 29.7117 176.8850 130 F 3.9877 8.3658 119.1626 60.7855 38.6526 178.0329 131 S 4.2480 8.4951 114.7813 61.6239 62.6489 176.2405 132 D 4.3679 8.4309 120.9290 57.1936 40.8999 177.9340 133 L 3.9528 8.2274 121.0642 58.2154 42.1404 178.7634 134 F 4.0671 8.5323 120.7799 61.1486 39.2284 177.3660 135 G 3.7016 8.1169 105.3004 47.9464 0.0000 175.6891 136 Q 4.0204 8.1509 120.4229 58.7162 28.6572 179.1521 137 I 3.6081 7.4070 120.6397 64.2451 36.9677 178.4032 138 I 3.5282 7.4171 120.4629 64.4211 36.7268 178.2137 139 N 4.2770 8.1870 115.8977 56.4210 38.5857 177.1297 140 A 4.2475 8.3163 122.4569 54.9863 18.2613 179.8422 141 G 3.6276 8.6159 103.4257 46.8676 0.0000 174.8211 142 Q 4.6435 7.5532 117.7832 54.7150 29.9368 176.1620 143 G 4.1445 7.3404 109.0778 45.0743 0.0000 173.3368 144 E 4.3286 8.5872 117.6537 56.9642 31.1697 177.0938 145 G 3.9193 8.0085 107.8607 45.4869 0.0000 173.7888 146 R 3.6564 8.5049 121.4215 58.8305 30.0288 176.7196 147 Y 4.6549 7.5952 112.5135 57.8042 38.9402 177.1366 148 S 4.1371 7.9520 117.4241 61.9531 62.8149 175.8762 149 E 3.9881 8.2121 120.7663 59.6817 29.4426 179.0927 150 L 4.0762 7.9729 118.2383 57.7975 41.6767 179.3482 151 L 4.0349 8.2388 118.8873 57.6126 41.4694 179.3863 152 A 3.9481 8.4268 121.0967 55.3470 18.3705 179.6450 153 I 3.7765 8.1471 118.6986 64.6044 37.1666 178.2041 154 N 4.4091 8.2858 117.7730 56.8465 38.8608 177.0414 155 L 3.9778 8.1786 120.5749 57.4824 41.6871 179.1898 156 L 3.7131 8.1286 120.8124 57.9846 41.9671 178.6782 157 E 3.0274 7.9294 119.3014 58.8114 29.5240 178.5621 158 Q 3.7747 7.7613 119.7540 58.8740 29.0699 177.9376 159 L 3.9208 7.7351 121.3145 58.1655 42.1871 178.9047 160 L 3.9180 7.6290 118.7740 57.8900 41.4357 179.6378 161 L 3.3661 7.5191 118.7457 57.3671 41.4448 179.7229 162 R 3.7798 8.2682 118.5276 59.0206 29.9724 178.9544 163 R 3.4827 8.0564 118.4451 59.5626 29.9828 178.1413 164 M 3.7818 7.4627 118.2226 58.6140 31.7726 178.4507 165 E 3.8892 8.0101 117.5685 59.2092 30.0689 178.3942 166 A 4.2279 8.4297 121.2731 55.1026 18.2324 179.7486 167 I 3.5901 7.8830 117.7556 64.5341 37.3586 178.0279 168 N 4.2106 8.8292 116.3499 55.4900 38.7694 174.3544 169 E 4.1419 7.8067 122.5826 56.8784 31.8250 175.1373 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 7 D 8.22 4.51 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.27 0.00 2.14 2.14 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 9 L 8.73 4.08 0.00 1.57 1.74 0.57 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 4.80 0.00 2.03 1.70 0.68 0.94 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 11 P 0.00 4.27 0.00 2.19 2.03 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 12 G 8.90 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 0.00 0.00 0.00 13 Y 7.45 4.39 0.00 2.95 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.61 4.47 0.00 3.94 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 15 F 8.58 4.65 0.00 3.06 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 16 N 8.17 4.39 0.00 2.89 3.17 0.00 0.00 6.65 8.90 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 17 A 8.38 4.89 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 18 H 8.19 4.94 0.00 3.22 3.27 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 19 L 8.56 5.23 0.00 1.75 1.58 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.65 4.80 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 1.34 0.00 0.00 1.18 0.00 0.00 21 A 8.28 4.38 0.98 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 22 G 6.31 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 0.00 0.00 0.00 23 L 8.55 5.16 0.00 1.53 1.45 0.88 0.83 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 24 T 8.57 4.40 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 0.99 0.00 0.00 25 P 0.00 3.90 0.00 0.81 1.16 0.00 3.59 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 26 I 7.83 3.77 2.15 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.96 0.00 0.00 27 E 8.07 4.43 0.00 1.89 1.87 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 2.48 2.27 0.00 28 A 8.24 3.42 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 29 N 7.82 5.00 0.00 2.69 2.81 0.00 0.00 6.84 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 30 G 7.92 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 0.00 0.00 0.00 31 V 8.29 3.80 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 0.78 0.00 0.00 0.98 0.00 0.00 32 L 7.80 4.39 0.00 1.57 1.56 0.84 1.08 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 33 D 7.52 4.51 0.00 2.88 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 34 F 7.23 5.04 0.00 3.19 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 35 F 9.12 4.95 0.00 2.91 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 36 I 8.20 4.38 1.27 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.85 0.64 0.00 0.00 37 D 8.58 4.91 0.00 2.73 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 38 R 8.90 4.49 0.00 1.61 1.71 0.00 2.70 0.00 0.00 2.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 39 P 0.00 4.15 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 L 7.95 4.44 0.00 1.70 1.70 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 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 0.00 0.00 0.00 0.00 42 M 8.23 4.85 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 43 K 8.93 4.01 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 44 G 7.98 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 45 Y 8.38 4.74 0.00 1.43 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 0.00 0.00 0.00 0.00 46 I 8.81 5.50 2.17 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 1.40 1.18 1.12 0.00 0.00 47 L 9.47 5.53 0.00 2.03 2.15 1.09 0.28 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 48 N 9.57 5.71 0.00 2.93 2.89 0.00 0.00 6.20 6.18 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 49 L 9.19 4.96 0.00 0.27 0.60 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.36 4.87 4.56 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 1.46 0.00 0.00 51 I 8.74 4.19 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.93 0.00 0.00 52 R 7.96 4.39 0.00 1.72 1.44 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 53 G 9.03 4.72 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 0.00 0.00 0.00 54 Q 8.43 4.74 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 55 G 8.30 3.04 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 56 V 7.81 4.75 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 0.83 0.00 0.00 1.03 0.00 0.00 57 V 9.31 5.08 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.52 0.00 0.00 58 K 9.43 5.19 0.00 1.66 1.81 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.54 7.81 59 N 8.90 4.44 0.00 2.36 1.42 0.00 0.00 7.54 6.84 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 60 Q 9.78 3.40 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 61 G 8.04 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 0.00 0.00 0.00 62 R 7.56 4.38 0.00 1.50 1.79 0.00 3.10 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 63 E 8.69 5.34 0.00 1.86 1.89 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 2.24 2.27 0.00 64 F 9.76 5.04 0.00 3.21 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 65 V 7.82 4.28 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 0.59 0.00 0.00 0.79 0.00 0.00 66 C 8.49 4.47 0.00 3.07 3.02 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 67 R 9.19 4.82 0.00 1.45 1.83 0.00 3.29 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 68 P 0.00 4.47 0.00 2.02 2.22 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 69 G 9.49 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 0.00 0.00 0.00 70 D 8.24 4.67 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 4.85 2.34 0.00 0.00 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 1.15 0.93 1.43 0.00 0.00 72 L 9.19 5.39 0.00 1.83 1.42 1.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.38 5.00 0.00 0.64 1.00 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.29 4.79 0.00 3.03 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 75 P 0.00 4.01 0.00 1.94 1.78 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 76 P 0.00 5.11 0.00 1.85 1.99 0.00 3.01 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 77 G 8.93 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 78 E 7.90 4.19 0.00 2.23 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 2.41 2.59 0.00 79 I 8.49 4.39 1.99 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 1.59 0.71 0.97 0.00 0.00 80 H 8.53 4.98 0.00 2.86 2.84 0.00 5.67 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 81 H 9.11 5.53 0.00 3.23 3.48 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 6.46 5.52 0.00 2.98 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 83 G 7.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.26 4.21 0.00 1.94 1.96 0.00 3.60 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 85 H 8.93 4.18 0.00 3.08 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.01 2.12 0.00 3.52 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 87 E 7.70 4.66 0.00 1.95 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 2.12 1.83 0.00 88 A 7.99 4.86 1.26 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 0.00 0.00 89 R 8.77 4.35 0.00 1.51 1.96 0.00 3.24 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 90 E 7.98 4.88 0.00 2.66 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 0.00 2.33 1.90 0.00 91 W 8.97 6.01 0.00 3.50 3.13 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.55 1.46 0.00 100 P 0.00 4.44 0.00 2.10 1.71 0.00 3.87 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.32 0.00 101 R 6.99 3.59 0.00 0.67 1.18 0.00 2.90 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 102 A 8.56 3.88 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 0.00 103 Y 8.26 4.37 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 0.00 104 W 7.62 3.82 0.00 3.26 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 *105 H 7.72 4.02 0.00 2.87 3.12 0.00 7.23 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 0.00 106 E 8.05 3.97 0.00 1.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 107 W 7.57 4.84 0.00 3.41 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 0.00 108 L 7.97 4.70 0.00 1.75 1.58 0.74 0.68 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 0.00 109 N 8.07 4.78 0.00 2.75 2.84 0.00 0.00 7.19 7.95 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 0.00 110 W 7.75 4.56 0.00 3.04 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 0.00 111 P 0.00 4.42 0.00 0.85 1.79 0.00 3.17 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 112 S 8.61 5.26 0.00 3.80 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 0.00 113 I 8.13 3.79 0.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 -0.18 0.00 0.00 114 F 8.09 4.90 0.00 3.28 3.29 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 0.00 115 A 8.30 3.67 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 0.00 116 N 8.76 4.96 0.00 2.56 3.09 0.00 0.00 7.10 7.58 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 0.00 117 T 7.91 4.27 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 0.52 0.00 0.00 118 G 8.28 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.06 5.73 0.00 2.90 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 0.00 120 F 9.27 4.48 0.00 2.09 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.08 4.16 0.00 1.90 1.69 0.00 3.23 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.00 122 P 0.00 3.76 0.00 1.99 1.57 0.00 3.40 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.00 123 D 8.23 4.61 0.00 2.81 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 0.00 124 E 8.74 3.93 0.00 1.99 2.02 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 0.00 133 L 8.23 3.95 0.00 1.95 1.84 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.53 4.07 0.00 3.45 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.12 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 0.00 136 Q 8.15 4.02 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 137 I 7.41 3.61 1.68 0.00 0.00 0.55 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 0.68 0.66 0.00 0.00 138 I 7.42 3.53 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.80 0.00 0.00 139 N 8.19 4.28 0.00 2.81 2.87 0.00 0.00 7.08 7.32 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 0.00 140 A 8.32 4.25 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 0.00 141 G 8.62 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 0.00 142 Q 7.55 4.64 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 143 G 7.34 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 0.00 0.00 0.00 144 E 8.59 4.33 0.00 2.07 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 2.20 2.29 0.00 145 G 8.01 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 0.00 0.00 0.00 146 R 8.50 3.66 0.00 1.52 1.48 0.00 2.21 0.00 0.00 2.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.35 0.00 147 Y 7.60 4.65 0.00 3.09 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 0.00 148 S 7.95 4.14 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.21 3.99 0.00 2.08 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 2.46 2.50 0.00 150 L 7.97 4.08 0.00 2.02 1.80 1.08 0.72 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 0.00 151 L 8.24 4.03 0.00 2.05 1.74 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.43 3.95 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 0.00 153 I 8.15 3.78 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 1.10 0.00 0.00 154 N 8.29 4.41 0.00 2.99 3.08 0.00 0.00 7.23 5.95 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 0.00 155 L 8.18 3.98 0.00 1.78 1.63 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.13 3.71 0.00 1.48 1.72 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.93 3.03 0.00 2.15 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 0.00 2.24 2.17 0.00 158 Q 7.76 3.77 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 159 L 7.74 3.92 0.00 1.80 1.78 1.30 0.81 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 0.00 160 L 7.63 3.92 0.00 1.45 1.59 0.09 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.52 3.37 0.00 1.47 1.34 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.27 3.78 0.00 1.85 1.69 0.00 3.11 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.00 163 R 8.06 3.48 0.00 1.13 1.62 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 164 M 7.46 3.78 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.62 0.00 165 E 8.01 3.89 0.00 1.85 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 0.00 2.31 2.30 0.00 166 A 8.43 4.23 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 0.00 167 I 7.88 3.59 1.90 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 1.32 0.59 0.84 0.00 0.00 168 N 8.83 4.21 0.00 2.66 2.96 0.00 0.00 7.51 7.56 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 0.00 169 E 7.81 4.14 0.00 2.23 2.55 0.00 0.00 0.00 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 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.