NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2390 8.2531 122.4654 51.5292 19.9209 178.7569 3 G 3.9066 8.0157 106.9945 44.8073 0.0000 169.9903 4 R 4.7501 7.9540 118.6269 55.2787 32.7026 173.3370 5 L 4.1545 8.3668 119.3813 55.2208 41.1715 176.8445 6 R 4.0209 8.2148 121.1257 55.8542 30.8672 175.9829 7 E 4.0204 8.6710 123.5439 57.2657 30.5039 175.4409 8 M 4.4908 8.1783 123.0265 53.8815 34.7403 174.4176 9 R 4.7485 7.7772 122.9346 56.0886 33.4873 173.6963 10 C 4.6057 8.4837 121.6031 58.7715 34.2695 173.2913 11 E 4.4139 8.6701 125.5251 56.2250 30.8248 176.0681 12 L 4.7624 8.1527 124.1317 53.1493 44.7015 175.3854 13 S 4.3133 8.3355 115.0247 58.2607 63.1118 174.2735 14 F 4.8282 7.9141 118.9991 56.5470 40.1104 173.8901 15 L 4.9331 7.6177 119.4927 53.3182 44.9117 178.1102 16 K 4.3836 7.9615 118.7332 54.9168 33.3321 175.3956 *18 A 4.1889 7.7257 124.1291 51.5413 20.1504 177.2030 19 D 4.4353 8.7621 119.1895 57.3111 41.1336 178.0444 20 G 3.9304 8.1551 109.5965 45.7893 0.0000 172.7399 21 S 4.5532 7.5855 118.4762 57.0066 66.8846 174.6214 22 A 4.6754 7.5570 123.4428 52.7803 21.3474 175.0488 23 C 4.8574 8.1648 118.2602 58.7962 34.2542 174.8504 24 F 4.7571 8.6836 135.0000 57.2728 37.6053 178.1340 25 S 4.3749 7.3877 117.0616 57.4745 60.7500 172.0571 26 Q 4.1601 6.8309 120.3933 54.4579 32.1039 175.8298 27 G 3.5385 8.6073 106.7627 47.0573 0.0000 174.7875 28 A 3.6656 8.0912 117.3979 52.7840 17.7974 177.9567 29 T 4.8335 7.3761 104.5788 60.1826 67.5072 174.8215 30 C 4.3219 7.8775 118.0005 59.0676 31.2265 174.3348 31 I 4.8440 8.3667 117.4012 58.4387 40.9964 174.1885 32 W 5.3893 7.8946 118.4725 54.8795 31.1039 174.1811 33 A 5.3025 8.2231 122.6411 50.4689 22.2519 174.6797 34 S 4.6376 8.1842 111.3959 58.8814 66.2432 177.4500 35 C 4.6069 9.0330 119.6272 58.3472 32.9402 172.9293 *60 N 4.7721 7.6474 123.1399 53.2669 39.4480 173.5104 61 C 4.2580 7.6893 117.0452 60.1766 33.0022 173.8968 *73 I 4.2282 7.6886 112.4031 61.7883 38.8698 177.3305 74 H 4.1969 8.5624 115.4049 57.9826 28.2189 176.4785 75 S 4.1742 7.6540 113.8482 61.0223 63.2987 175.2558 76 T 3.9511 8.2427 115.4089 63.6745 67.3738 174.2709 77 L 4.3393 7.4866 122.0321 53.8830 42.9365 174.3140 78 S 4.2317 7.9156 118.1228 58.6093 64.4861 173.0476 79 N 4.7279 7.7831 119.2522 51.7471 41.0404 173.6269 80 A 4.7870 8.3422 128.4725 50.1083 21.1725 176.1874 81 I 3.9963 8.0367 113.7014 60.9403 38.4358 175.2022 82 N 4.7467 8.1193 118.2798 52.2313 39.5529 174.2347 83 L 4.0222 8.4794 121.8865 58.0345 43.1511 178.4351 *94 T 4.3136 7.4166 107.1341 61.6277 69.1330 172.4675 95 V 4.7654 7.6578 118.7477 62.3558 35.6995 174.1410 96 H 4.5534 8.5552 123.9768 53.9444 33.1901 172.5694 97 G 3.8744 7.7318 111.2275 44.2563 0.0000 173.5670 98 I 3.8928 7.6165 118.9349 63.2936 38.4858 176.6161 99 Q 4.4915 7.5640 120.4741 54.7997 31.7083 172.3256 100 D 4.8670 8.5092 123.4060 52.8328 43.8037 175.5813 101 D 4.8580 8.5321 124.2741 54.3622 44.0066 174.2157 102 G 3.8377 7.8781 115.4915 44.7288 0.0000 177.1098 103 S 4.0887 8.8506 123.3158 58.6756 61.6319 173.9464 104 M 4.1944 8.9275 125.4575 58.3210 32.1305 177.8508 105 G 3.7043 7.8631 104.0685 46.9671 0.0000 175.2949 106 A 4.3464 7.8153 124.9309 54.6265 18.4117 179.8024 107 V 3.9867 7.8213 115.6588 66.1598 31.7434 177.4996 108 A 4.2593 7.3422 116.6816 53.2946 18.3895 177.9075 109 I 4.3091 8.0815 118.5453 62.9122 39.0197 177.5343 110 N 4.4031 8.1260 117.3071 56.3190 38.0885 177.6327 111 G 3.4549 7.5372 105.4415 47.2475 0.0000 174.9877 112 A 4.2901 7.9660 122.7575 54.4509 18.6308 179.2387 113 C 3.8524 8.1917 117.6224 62.9087 31.7483 175.2335 114 F 3.4704 8.2881 118.0841 60.6345 38.3702 177.3187 115 A 4.4525 8.0619 120.6258 55.0487 17.9966 179.4582 116 L 4.1004 7.2016 112.8492 57.0015 41.9732 178.8673 117 L 4.1045 8.2041 120.2126 57.6956 43.4036 177.5459 118 D 4.6159 8.1366 118.6058 51.6890 40.0358 175.6247 119 N 4.4608 7.8308 115.3316 52.6796 40.6117 176.3350 120 G 4.2269 8.5689 108.9675 46.5348 0.0000 174.4386 121 M 4.1649 8.1378 120.1455 54.2256 32.2584 174.6325 122 P 4.4277 0.0000 0.0000 63.2192 31.0626 175.6136 123 F 4.7092 8.5675 118.0878 57.9957 39.4674 176.8072 124 E 4.1671 8.2227 118.3325 59.1311 29.6204 177.5367 125 T 4.4654 6.9932 108.5649 61.1571 69.0342 175.2664 126 V 3.3933 7.1326 115.0781 61.8623 31.9430 175.1637 127 F 5.6285 7.1323 115.4014 54.3424 40.6442 173.3156 128 C 3.8335 8.4126 119.5082 60.2579 28.1485 173.9969 129 G 4.1426 8.1628 110.2259 43.7588 0.0000 172.8372 130 V 3.8330 8.4841 119.0860 61.1193 31.1489 175.3987 131 L 4.8345 8.3146 122.0033 53.9493 43.7715 174.9654 132 I 4.6382 8.6538 121.8179 59.4157 40.9953 174.3593 133 V 4.2189 8.3468 123.6558 59.8353 32.2066 175.9194 134 R 4.0004 8.3545 127.6309 55.7934 30.9551 175.3074 135 V 4.6255 7.9384 125.3772 61.1654 35.1075 174.9103 136 K 3.6454 8.1413 126.0319 57.9691 31.5017 177.8853 137 D 4.8070 8.8346 125.2524 54.5685 42.2889 177.2538 138 E 3.6204 8.6029 119.1593 57.0698 28.6107 173.4173 139 L 4.5229 7.9977 119.6987 54.4349 44.9516 175.8354 140 I 4.2860 8.2602 126.1444 59.8448 39.2135 174.4253 141 I 4.2343 8.0545 127.2970 60.6685 38.7081 175.5468 142 D 4.6483 7.9881 123.1521 53.3374 41.8655 170.5510 143 P 5.0826 0.0000 0.0000 61.7562 34.8778 174.5722 144 T 4.8377 7.7436 114.8266 64.8310 72.8677 175.9135 145 A 4.1272 8.6801 129.8972 55.1309 18.7124 178.1117 146 K 4.3437 7.8852 114.0240 56.7354 32.2257 177.3929 147 Q 4.1963 7.7507 123.2774 58.2314 29.5566 177.7327 148 E 3.8522 8.2382 116.0501 59.5126 29.5253 178.0468 149 A 4.2387 7.9594 117.9968 52.5381 17.8660 178.7802 150 A 3.8296 8.0274 124.5472 54.3953 18.7468 181.2453 151 S 3.4059 7.4968 108.5092 58.2313 64.9163 171.8900 152 T 4.0915 5.7938 111.9706 61.5433 70.0938 171.2314 153 G 3.9104 8.3352 114.0689 46.5497 0.0000 171.1772 154 R 3.6429 8.6312 123.5073 57.0714 27.8018 175.6940 155 V 4.7774 7.3142 116.9257 59.3646 32.7451 174.8745 156 L 4.7902 7.7246 126.5149 51.7191 41.2048 175.1428 157 F 4.2297 7.1977 118.1875 57.8361 39.8434 175.3331 158 S 4.7223 8.6947 120.7364 58.8366 63.1744 175.1217 159 V 3.7327 8.1984 112.6686 61.9424 32.5678 176.6348 *164 D 4.1681 8.5774 121.1578 53.8097 42.8783 176.7593 165 G 3.7030 7.6420 106.6063 45.6878 0.0000 172.2589 166 H 4.7032 7.4774 115.5268 56.3487 31.5848 172.7401 167 P 4.7891 0.0000 0.0000 64.3431 33.0912 175.7315 168 E 4.2941 7.7307 118.2061 54.6640 31.1566 176.5199 169 V 4.1045 8.1088 118.5408 63.1809 32.5320 175.5077 170 C 4.6032 8.4866 122.1101 60.4532 33.7454 173.0451 171 A 4.7090 7.4999 118.8065 51.9952 22.5481 174.3246 172 M 4.9336 7.9905 114.6869 56.2280 33.9691 173.2366 173 D 4.5100 7.8659 113.7788 53.6616 44.6231 174.6006 174 A 4.9593 8.6382 126.7413 50.1431 21.9738 175.5193 175 I 4.3667 8.7088 121.9225 60.7209 40.3417 174.6741 176 G 4.6670 8.8257 114.9683 44.5518 0.0000 172.2589 177 H 4.7759 7.9331 117.9333 54.4285 27.3828 174.3581 178 W 4.9794 7.5659 119.2148 55.2286 33.5063 175.6325 179 D 4.9798 8.4874 119.7976 53.0000 40.4438 176.3462 180 F 4.4136 9.0318 116.3469 59.8473 38.9208 177.8657 181 I 3.8096 8.1559 111.8348 64.0786 37.0678 177.7892 182 Q 4.2810 8.1454 119.1585 58.7590 29.0618 177.4488 183 L 3.9698 7.6438 120.8857 58.4918 41.8096 178.7525 184 E 4.1085 8.3428 118.4691 59.1355 29.5159 178.2566 185 A 4.0826 8.2908 120.4827 54.1272 18.5480 177.6185 186 A 4.6331 7.7340 117.1191 52.1693 20.1841 178.1214 187 W 4.1041 8.4091 125.9711 59.5312 30.9502 175.8995 188 S 4.1810 7.8143 112.2527 56.4500 63.8443 174.9023 189 L 3.2241 8.2628 122.7768 57.4466 40.7806 176.7107 190 A 4.0419 8.7033 122.1000 55.0434 18.4752 179.6830 191 Q 3.9325 7.6859 115.1760 58.3809 28.6752 176.7550 192 P 4.1426 0.0000 0.0000 65.7671 31.3556 178.4453 193 S 4.0932 7.6516 112.2554 61.6035 62.5239 176.7379 194 A 3.6768 7.9338 123.3719 55.0478 17.9192 179.7561 195 S 4.3493 8.3315 113.8130 61.8082 62.9607 176.5663 196 A 4.7937 7.8322 124.6987 54.8576 17.9947 179.6072 197 I 3.8524 7.3763 116.8925 64.0981 38.0286 178.0572 198 F 3.8561 7.3994 118.6748 60.3098 38.5854 177.4630 199 D 4.4353 7.9918 118.8898 57.2661 40.6990 178.0244 200 F 4.0910 8.6142 121.1089 63.2257 39.3474 176.9695 201 Y 3.7415 9.6120 114.1395 60.4168 37.4533 178.5632 202 K 3.5832 8.4951 121.5921 60.1774 32.8285 179.4142 203 T 3.8887 7.9221 115.5622 66.5173 68.5660 176.7088 204 V 3.3868 7.5965 120.4948 66.3102 31.2178 177.9563 205 M 4.3888 8.1242 115.3603 55.8489 32.7232 176.7404 206 K 4.3796 8.1199 117.1041 55.6848 33.8049 175.6144 207 R 4.4367 7.6003 116.5803 58.1732 32.2359 178.5312 208 K 4.0705 8.0317 115.9988 59.4053 32.2726 178.3612 209 L 4.0160 7.9242 117.4535 56.8190 41.6135 176.9130 210 S 4.4919 7.5537 110.9881 56.1318 63.4748 174.1240 211 V 3.9640 8.0382 125.2125 63.1985 31.6132 175.1674 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 2 A 8.25 4.24 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 3 G 8.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.95 4.75 0.00 1.76 1.89 0.00 3.18 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 5 L 8.37 4.15 0.00 1.74 1.68 0.90 0.54 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 6 R 8.21 4.02 0.00 2.17 1.80 0.00 3.34 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 7 E 8.67 4.02 0.00 1.90 1.82 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 2.37 2.29 0.00 8 M 8.18 4.49 0.00 1.59 1.58 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 1.60 0.81 0.00 9 R 7.78 4.75 0.00 1.83 1.65 0.00 3.36 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 10 C 8.48 4.61 0.00 2.95 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 11 E 8.67 4.41 0.00 2.09 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 0.00 2.39 2.30 0.00 12 L 8.15 4.76 0.00 1.63 1.45 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.34 4.31 0.00 3.85 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 14 F 7.91 4.83 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 15 L 7.62 4.93 0.00 1.53 1.51 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.96 4.38 0.00 1.68 1.69 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.46 7.81 *18 A 7.73 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.76 4.44 0.00 2.74 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 20 G 8.16 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.59 4.55 0.00 3.85 3.72 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 22 A 7.56 4.68 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.16 4.86 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 24 F 8.68 4.76 0.00 2.73 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 25 S 7.39 4.37 0.00 3.87 3.75 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 26 Q 6.83 4.16 0.00 1.67 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 27 G 8.61 3.54 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 0.00 0.00 0.00 28 A 8.09 3.67 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 29 T 7.38 4.83 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 1.25 0.00 0.00 30 C 7.88 4.32 0.00 3.02 3.09 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 31 I 8.37 4.84 1.92 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 1.49 0.97 0.91 0.00 0.00 32 W 7.89 5.39 0.00 3.63 3.24 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 33 A 8.22 5.30 1.37 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 0.00 0.00 0.00 34 S 8.18 4.64 0.00 4.16 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 35 C 9.03 4.61 0.00 2.92 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 *60 N 7.65 4.77 0.00 2.69 2.76 0.00 0.00 7.21 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 61 C 7.69 4.26 0.00 3.01 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 *73 I 7.69 4.23 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.91 0.00 0.00 74 H 8.56 4.20 0.00 3.27 3.45 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.65 4.17 0.00 3.94 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 76 T 8.24 3.95 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 1.20 0.00 0.00 77 L 7.49 4.34 0.00 1.58 1.47 0.85 0.80 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 78 S 7.92 4.23 0.00 3.20 3.34 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 79 N 7.78 4.73 0.00 2.63 2.64 0.00 0.00 6.83 7.96 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 80 A 8.34 4.79 1.20 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 0.00 0.00 81 I 8.04 4.00 1.88 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 1.48 0.52 0.92 0.00 0.00 82 N 8.12 4.75 0.00 2.81 2.79 0.00 0.00 6.04 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 83 L 8.48 4.02 0.00 1.63 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 *94 T 7.42 4.31 4.43 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 1.25 0.00 0.00 95 V 7.66 4.77 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 0.79 0.00 0.00 0.95 0.00 0.00 96 H 8.56 4.55 0.00 2.51 1.31 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.73 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 0.00 0.00 0.00 98 I 7.62 3.89 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 1.09 0.00 0.00 99 Q 7.56 4.49 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 100 D 8.51 4.87 0.00 2.55 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 0.00 101 D 8.53 4.86 0.00 2.73 2.53 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 0.00 0.00 0.00 0.00 102 G 7.88 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 0.00 103 S 8.85 4.09 0.00 3.87 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 0.00 104 M 8.93 4.19 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 105 G 7.86 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 0.00 106 A 7.82 4.35 1.37 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 0.00 0.00 0.00 107 V 7.82 3.99 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 1.20 0.00 0.00 0.98 0.00 0.00 108 A 7.34 4.26 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 0.00 109 I 8.08 4.31 2.09 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 1.55 0.94 1.11 0.00 0.00 110 N 8.13 4.40 0.00 1.80 2.34 0.00 0.00 6.96 7.69 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 0.00 111 G 7.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.97 4.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.19 3.85 0.00 2.49 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.29 3.47 0.00 2.95 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 0.00 115 A 8.06 4.45 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 0.00 116 L 7.20 4.10 0.00 1.66 1.78 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.20 4.10 0.00 1.53 1.81 0.78 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.14 4.62 0.00 2.56 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 0.00 119 N 7.83 4.46 0.00 2.99 2.76 0.00 0.00 6.98 7.92 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 0.00 120 G 8.57 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 0.00 0.00 0.00 0.00 121 M 8.14 4.16 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 122 P 0.00 4.43 0.00 2.07 2.08 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 123 F 8.57 4.71 0.00 3.05 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 0.00 124 E 8.22 4.17 0.00 2.12 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 0.00 2.29 2.30 0.00 125 T 6.99 4.47 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 126 V 7.13 3.39 1.52 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 -1.02 0.00 0.00 0.17 0.00 0.00 127 F 7.13 5.63 0.00 3.16 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 0.00 128 C 8.41 3.83 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.16 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 0.00 130 V 8.48 3.83 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 0.77 0.00 0.00 1.08 0.00 0.00 131 L 8.31 4.83 0.00 1.67 1.72 0.89 0.39 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 0.00 132 I 8.65 4.64 1.95 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 1.22 1.77 1.13 0.00 0.00 133 V 8.35 4.22 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 0.67 0.00 0.00 0.87 0.00 0.00 134 R 8.35 4.00 0.00 1.71 1.43 0.00 3.06 0.00 0.00 2.99 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 135 V 7.94 4.63 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 1.21 0.00 0.00 0.94 0.00 0.00 136 K 8.14 3.65 0.00 1.88 0.92 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 137 D 8.83 4.81 0.00 2.68 2.64 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 0.00 138 E 8.60 3.62 0.00 2.07 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 2.24 2.35 0.00 139 L 8.00 4.52 0.00 1.57 1.46 0.93 0.78 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 0.00 140 I 8.26 4.29 1.85 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 1.39 1.22 0.92 0.00 0.00 141 I 8.05 4.23 2.08 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 1.30 0.66 0.93 0.00 0.00 142 D 7.99 4.65 0.00 2.92 2.68 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 0.00 143 P 0.00 5.08 0.00 2.24 1.99 0.00 3.56 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 1.98 2.02 0.00 144 T 7.74 4.84 4.29 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 1.23 0.00 0.00 145 A 8.68 4.13 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 0.00 146 K 7.89 4.34 0.00 1.73 1.82 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.34 7.81 147 Q 7.75 4.20 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 148 E 8.24 3.85 0.00 1.98 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 2.30 2.30 0.00 149 A 7.96 4.24 1.26 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 0.00 0.00 0.00 179 D 8.49 4.98 0.00 2.92 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 0.00 180 F 9.03 4.41 0.00 3.06 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 0.00 181 I 8.16 3.81 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.66 0.98 0.00 0.00 182 Q 8.15 4.28 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.91 3.14 0.00 183 L 7.64 3.97 0.00 1.65 1.81 0.80 0.82 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 0.00 184 E 8.34 4.11 0.00 2.21 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 2.51 2.65 0.00 185 A 8.29 4.08 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 0.00 186 A 7.73 4.63 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 0.00 0.00 0.00 0.00 0.00 187 W 8.41 4.10 0.00 3.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.81 4.18 0.00 3.55 3.62 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 0.00 0.00 0.00 0.00 189 L 8.26 3.22 0.00 2.03 1.93 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.70 4.04 1.28 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 0.00 0.00 191 Q 7.69 3.93 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 192 P 0.00 4.14 0.00 2.11 2.07 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 193 S 7.65 4.09 0.00 4.03 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 0.00 194 A 7.93 3.68 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 0.00 195 S 8.33 4.35 0.00 3.98 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 0.00 196 A 7.83 4.79 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 0.00 197 I 7.38 3.85 1.87 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 1.15 1.67 0.65 0.00 0.00 198 F 7.40 3.86 0.00 3.25 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 0.00 199 D 7.99 4.44 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.61 4.09 0.00 3.23 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 0.00 201 Y 9.61 3.74 0.00 3.45 3.15 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 0.00 202 K 8.50 3.58 0.00 1.95 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.69 7.81 203 T 7.92 3.89 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 1.08 0.00 0.00 204 V 7.60 3.39 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 1.22 0.00 0.00 0.91 0.00 0.00 205 M 8.12 4.39 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 206 K 8.12 4.38 0.00 1.74 1.78 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 207 R 7.60 4.44 0.00 2.01 1.88 0.00 3.15 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 208 K 8.03 4.07 0.00 1.68 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.37 7.81 209 L 7.92 4.02 0.00 1.55 1.69 0.88 0.73 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 0.00 210 S 7.55 4.49 0.00 3.95 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 0.00 211 V 8.04 3.96 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 0.83 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.