NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.7975 8.5245 117.7864 51.7931 39.4481 175.9154 10 K 3.8447 9.3283 118.0798 57.8074 32.6018 178.0748 11 N 4.1169 8.0119 115.5980 52.6299 40.3670 173.4588 12 L 4.5693 8.4178 123.6260 54.0624 43.8897 174.9778 13 I 5.1618 9.0038 127.4315 59.5776 40.5553 174.4959 14 I 5.1470 8.7533 127.5515 59.6977 40.0406 174.4005 15 T 5.2178 9.0549 117.7285 60.0280 71.4840 173.3911 16 I 4.9542 9.1042 126.5030 59.8423 40.0514 174.6542 17 E 5.3113 8.8332 126.6869 54.8326 32.9895 175.1018 18 R 3.9326 8.2459 114.5978 55.2034 31.9410 174.2725 19 E 4.5443 8.0725 120.6850 56.4344 30.8551 176.0609 20 Y 4.2210 8.4977 124.3923 59.8659 38.7550 175.4530 21 G 3.8896 8.3460 114.8776 45.4955 0.0000 174.1512 22 S 4.1667 7.2244 113.2072 58.1129 63.6812 175.4969 23 G 3.8033 8.1310 108.5961 46.3660 0.0000 175.1013 24 G 3.7875 8.0511 108.8687 47.7926 0.0000 176.1044 25 R 4.0616 8.0090 120.6591 59.2924 30.1553 178.4021 26 I 3.6279 7.7325 119.0030 64.3837 37.1284 178.3895 27 V 3.6659 8.1753 119.4572 65.8933 31.2701 178.2116 28 G 3.9178 8.5634 105.8656 48.0351 0.0000 175.5647 29 K 3.1540 8.3297 121.0372 58.9031 31.9644 179.4651 30 K 3.9111 8.0822 118.2211 59.7885 31.9364 178.6434 31 L 3.9131 8.1536 120.0483 58.0904 42.0115 179.0004 32 A 4.0745 8.3909 123.3530 56.1765 18.3519 179.6284 33 E 3.8981 8.1605 116.9561 61.0567 29.5793 180.7150 34 E 4.3982 8.4124 120.5818 58.6224 29.8693 178.3744 35 L 4.4227 7.5828 116.0317 53.6357 42.6589 177.0614 36 G 3.8308 8.5975 109.2420 46.7818 0.0000 174.0201 37 I 4.2489 7.5978 119.1034 59.2047 36.5353 179.2324 38 H 4.2195 8.7156 123.2763 55.5562 30.1163 174.1238 39 F 4.7085 7.7764 121.9762 56.6210 42.1603 173.3127 40 Y 4.8129 7.9375 123.8578 56.3277 41.1654 174.5815 41 D 5.4242 8.3714 124.1946 51.3735 42.9944 175.6817 42 D 4.4324 8.2578 117.3219 58.5490 40.7122 179.0891 43 D 4.4975 8.0800 117.9175 57.6517 41.0021 179.0419 44 I 3.8405 8.3755 122.5626 64.9730 37.1506 179.0883 45 L 4.1368 8.8332 126.0138 60.2548 40.4851 181.4499 46 K 4.1523 8.8462 127.2005 60.5244 32.0414 181.0992 47 L 4.3011 8.7722 123.1873 59.1676 40.6909 181.4507 48 A 4.2690 8.5752 123.4468 56.3438 18.1414 180.3915 49 S 3.9257 7.8177 115.4624 63.3732 62.2180 177.2275 50 E 4.1321 7.8406 122.0869 59.0444 29.6420 177.9914 51 K 4.1675 8.0824 120.8512 55.8798 31.5902 182.1252 *94 S 4.3647 7.8863 116.2172 58.0466 63.3823 177.0361 95 P 4.5589 0.0000 0.0000 64.0686 31.4431 177.8103 96 E 4.4790 8.2438 118.3298 58.6896 30.4871 178.4920 97 N 4.4724 8.9595 119.8617 57.0506 38.6487 177.7622 98 L 4.0277 8.0818 123.2024 59.5619 40.7677 180.9980 99 F 4.1237 7.9230 120.6345 61.1290 39.3543 177.3272 100 K 3.7235 7.9171 117.7095 59.5157 31.8870 178.8171 101 F 3.8352 8.8255 121.0694 61.4277 39.1234 177.1863 102 Q 4.0350 7.8106 115.7138 59.2819 28.3322 178.4538 103 S 3.9192 7.7486 116.6454 61.3471 62.9924 175.9842 104 E 3.9691 7.8955 121.8666 58.9014 29.1630 178.9404 105 V 3.5975 7.3737 115.8088 63.6672 31.3777 177.6101 *107 R 4.2251 7.9921 118.2029 55.6605 32.2537 177.7108 108 E 3.8409 7.8561 118.3059 59.3686 29.5953 178.1237 109 L 3.8576 7.7982 118.6183 58.2045 41.5231 179.1982 110 A 4.2963 8.3839 121.5497 56.4217 18.3810 179.6393 111 E 4.1052 8.1483 115.3464 60.3803 29.8118 179.6834 112 S 4.9175 7.6701 110.0568 58.2119 64.5290 173.4009 113 E 4.9540 8.4004 119.9017 54.1339 33.6931 173.2442 114 P 4.7819 0.0000 0.0000 63.1754 32.7256 174.8534 115 C 4.8172 8.1345 114.3979 58.2037 33.6573 172.3189 116 I 4.8496 7.8881 120.4211 59.7093 39.1239 174.8967 117 F 5.2267 9.1334 126.5283 55.8794 40.3660 175.1368 118 V 4.7510 8.7101 122.7262 62.4871 33.6468 176.4325 119 G 4.1857 8.9644 115.3932 45.5645 0.0000 172.2337 120 R 3.7467 9.0103 113.5873 58.2503 27.2874 176.1256 121 A 4.9859 8.9687 111.9283 52.0207 17.0238 180.0182 122 A 4.1479 8.1392 122.5480 56.5412 18.4207 180.2970 123 G 3.6981 8.6617 104.4247 48.1217 0.0000 175.0815 124 Y 3.7901 8.1501 120.4950 60.4343 39.0929 177.8006 125 V 3.8460 7.9798 118.9622 66.2481 31.6342 177.8670 126 L 4.0856 8.0601 118.1408 57.1193 41.3607 178.5902 127 D 4.3350 7.8288 117.4413 57.2426 41.0343 177.9705 128 Q 4.2807 7.4209 117.5189 57.2763 29.2192 175.4506 129 D 4.4886 7.8522 120.0158 53.4415 40.1344 176.3870 130 E 4.2006 8.5057 126.3852 58.2283 29.8119 178.3481 131 D 4.4755 8.1404 118.6222 56.4901 41.1903 176.9878 132 I 4.0033 7.5471 120.6734 61.0954 37.5763 175.4642 133 E 4.4828 8.7652 123.6479 56.7654 31.9221 176.5816 134 R 4.6247 7.5095 117.0403 54.8559 29.5775 175.6972 135 L 5.0258 7.7880 120.4880 54.3363 43.9534 176.4560 136 I 4.8711 8.9806 126.6250 59.6742 40.8084 174.4233 137 R 5.1742 9.5144 126.7126 53.9329 32.2708 175.1788 138 I 5.5566 9.3866 125.5132 58.6598 40.5263 174.4753 139 F 4.9889 8.4466 127.1505 56.2772 42.1547 173.5711 140 V 4.5922 7.9624 126.8294 61.4652 33.1588 174.1575 141 Y 5.1744 8.3106 124.8837 56.1219 41.8991 174.0044 142 T 4.6984 8.9482 114.0421 62.2114 73.8348 173.0640 143 D 4.4128 8.8050 124.4489 55.3279 41.7782 177.6941 144 K 4.0098 9.0256 124.3916 59.8205 32.2733 178.4713 145 V 3.5953 7.8944 117.8332 66.0805 31.3619 177.7758 146 K 3.9646 7.9489 118.6597 59.2431 32.0859 178.7535 147 K 4.0791 8.4586 119.2825 59.5616 31.7967 179.2754 148 V 3.5994 8.0593 117.4597 66.2269 31.4471 177.5561 149 Q 4.0841 7.6621 118.2744 58.9502 29.1049 177.7018 150 R 4.0459 8.1123 119.8761 59.2732 30.1689 180.0813 151 V 3.8524 7.8451 117.1125 63.0449 31.1211 177.6295 *153 E 4.2462 8.1487 117.2049 55.9865 31.2459 178.6629 154 V 3.5953 8.5211 117.3638 65.3048 31.5958 176.2699 155 D 4.6689 8.1632 116.9139 53.4381 41.8224 175.6314 156 C 3.9874 7.5525 115.9853 61.1993 25.8543 171.7054 157 I 4.5500 7.3528 110.6222 58.4117 40.6375 175.1484 158 D 4.7042 8.1624 120.9855 52.1332 41.9310 176.4380 159 E 3.9721 8.8058 121.1891 60.2958 29.3755 179.1099 160 E 3.9602 8.0829 117.4075 61.2908 29.9913 180.5831 161 R 4.0671 8.4032 119.9105 59.1799 30.0475 178.5187 162 A 4.0421 8.2664 120.7537 54.9637 18.5061 179.4634 163 K 3.8741 8.2682 117.2945 60.0770 32.3003 179.7044 164 R 3.9621 8.1869 117.9912 59.1642 29.8988 179.2641 165 R 3.7870 8.1360 118.5675 59.3262 30.1101 178.4767 166 I 3.8163 7.8621 119.5908 64.4759 37.1310 178.2736 167 K 3.8828 7.9212 118.9805 59.5051 31.9131 179.3011 168 K 3.8594 7.7844 119.2958 59.7254 32.2483 179.1013 169 I 3.7944 7.9425 120.4155 64.1803 36.7802 178.3705 170 E 3.7918 8.1437 119.7846 58.9280 29.2075 179.0144 171 K 3.7993 8.1297 119.8627 59.6405 32.2352 178.7106 172 E 3.9022 7.9211 118.7232 59.3827 29.3646 179.6361 173 R 3.7479 7.6883 118.0996 58.7560 29.9604 178.8766 174 K 3.7880 7.3593 119.4738 59.7047 32.2680 178.7283 175 E 4.0047 8.4147 119.1095 59.3301 29.3043 178.7495 176 Y 4.0783 8.1164 119.6311 60.8671 38.8896 177.4795 177 Y 3.8881 8.2487 120.2850 60.7024 38.8450 177.9285 178 K 4.3405 8.5209 122.1932 59.2336 32.0457 178.0500 179 Y 3.5046 8.0998 119.0229 59.9758 38.6470 177.0792 180 F 4.1828 7.2827 117.2049 59.1838 39.7768 177.8048 181 T 3.4684 7.6475 108.7154 61.8081 68.9117 176.3634 182 G 3.7327 7.4743 108.1416 45.2740 0.0000 173.0340 183 S 4.6886 7.6734 115.1101 56.8096 64.7062 171.3434 184 E 4.8654 8.5281 119.0114 54.1893 31.1323 176.5056 185 W 2.7907 8.9961 134.4136 60.0647 30.6722 175.8340 186 H 3.6312 7.9787 115.3602 55.7726 30.2137 174.3343 187 S 4.7405 7.0550 115.3400 56.2771 63.8022 174.1458 *189 K 4.2257 8.5298 115.0236 57.0389 34.0964 176.1297 190 N 4.5847 8.0816 114.9634 53.2232 38.4857 174.1638 191 Y 4.9038 7.1345 114.5764 56.6718 42.1472 174.5633 192 D 4.6580 8.8755 121.9836 56.6790 42.2866 176.5837 193 L 4.4457 8.4185 121.6475 53.2586 44.8994 173.1575 194 P 5.1948 0.0000 0.0000 61.6819 32.8713 175.5340 195 I 4.3671 8.6409 125.5659 59.3538 39.6130 174.3265 196 N 3.7036 8.5127 126.7554 52.7863 39.2470 174.3967 197 T 4.3336 8.1602 116.0753 61.5498 69.4466 176.3370 198 T 3.7979 7.7813 120.6358 66.8623 68.4171 175.4150 199 K 4.5518 7.8723 116.8821 55.8494 32.6441 175.6239 200 L 4.9679 7.4386 118.4940 52.7599 44.3968 177.3554 201 T 4.1776 9.3928 113.2029 61.4032 70.9495 176.0039 202 L 3.9214 8.3525 121.9278 57.6670 41.5226 179.5599 203 E 3.8398 8.0234 119.0165 59.2530 29.7237 178.0630 204 E 3.9198 8.4424 119.0328 59.9951 29.6691 179.3343 205 T 3.8009 7.9850 115.1761 66.8962 68.7146 175.9449 206 A 3.9930 8.3229 122.5449 55.6877 18.2175 179.6477 207 E 3.9829 8.5051 117.0796 59.2703 29.4789 179.3378 208 L 3.8270 8.1927 120.8252 58.2201 42.0840 179.1404 209 I 3.8296 7.8037 119.6628 63.9450 36.9088 178.6451 210 K 4.0075 7.9955 119.0484 59.2816 32.0188 178.8420 211 A 3.9785 8.9287 122.2895 55.6519 18.1292 179.1710 212 Y 3.8028 8.0211 117.4353 60.9813 38.9868 177.5310 213 I 3.7296 8.1150 120.8825 64.7891 37.2766 178.4254 214 R 3.8652 8.2140 118.3893 59.2418 29.7523 178.7010 215 L 3.8123 7.3910 117.3423 58.0898 41.8288 179.8556 216 K 3.6955 7.2299 115.6034 56.8655 31.6827 177.6512 217 G 3.8603 7.9665 107.3870 46.4253 0.0000 173.8131 218 F 4.7935 8.1324 124.0771 57.4087 39.0507 175.9303 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 N 8.52 4.80 0.00 2.76 2.55 0.00 0.00 6.56 6.56 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 10 K 9.33 3.84 0.00 1.85 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.09 7.81 11 N 8.01 4.12 0.00 2.71 2.92 0.00 0.00 6.78 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.42 4.57 0.00 1.77 1.56 1.21 1.02 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 13 I 9.00 5.16 2.00 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 1.29 0.95 1.27 0.00 0.00 14 I 8.75 5.15 1.96 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 1.42 0.91 1.00 0.00 0.00 15 T 9.05 5.22 4.46 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 0.00 0.00 0.00 1.41 0.00 0.00 16 I 9.10 4.95 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.94 0.00 0.00 17 E 8.83 5.31 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 18 R 8.25 3.93 0.00 1.65 1.69 0.00 3.30 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 19 E 8.07 4.54 0.00 1.97 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 0.00 2.56 2.26 0.00 20 Y 8.50 4.22 0.00 3.06 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 21 G 8.35 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 0.00 0.00 0.00 22 S 7.22 4.17 0.00 3.89 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 23 G 8.13 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 0.00 0.00 0.00 24 G 8.05 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 0.00 0.00 0.00 25 R 8.01 4.06 0.00 1.98 2.00 0.00 3.30 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 26 I 7.73 3.63 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.86 0.00 0.00 27 V 8.18 3.67 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 1.00 0.00 0.00 0.94 0.00 0.00 28 G 8.56 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 29 K 8.33 3.15 0.00 1.72 1.51 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.99 7.81 30 K 8.08 3.91 0.00 1.94 2.01 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.70 7.81 31 L 8.15 3.91 0.00 2.01 1.86 0.94 1.03 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 32 A 8.39 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.16 3.90 0.00 2.01 1.91 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 2.24 2.22 0.00 34 E 8.41 4.40 0.00 1.93 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 2.33 2.46 0.00 35 L 7.58 4.42 0.00 1.61 1.70 0.96 1.21 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 36 G 8.60 3.83 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 0.00 0.00 0.00 37 I 7.60 4.25 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 1.23 0.76 0.91 0.00 0.00 38 H 8.72 4.22 0.00 3.10 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.78 4.71 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.94 4.81 0.00 2.85 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 41 D 8.37 5.42 0.00 2.75 2.73 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 42 D 8.26 4.43 0.00 2.91 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 43 D 8.08 4.50 0.00 2.83 2.76 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 44 I 8.38 3.84 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.09 0.00 0.00 45 L 8.83 4.14 0.00 1.61 1.68 0.92 0.98 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 46 K 8.85 4.15 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.34 7.81 47 L 8.77 4.30 0.00 1.59 1.72 0.92 1.09 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 48 A 8.58 4.27 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.82 3.93 0.00 3.74 3.83 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 50 E 7.84 4.13 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 51 K 8.08 4.17 0.00 1.80 1.67 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *94 S 7.89 4.36 0.00 3.67 3.83 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 95 P 0.00 4.56 0.00 2.36 2.43 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 96 E 8.24 4.48 0.00 2.24 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 2.54 2.73 0.00 97 N 8.96 4.47 0.00 3.03 2.94 0.00 0.00 6.93 6.38 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 98 L 8.08 4.03 0.00 1.65 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.92 4.12 0.00 2.12 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.92 3.72 0.00 2.14 1.87 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.69 7.81 101 F 8.83 3.84 0.00 3.20 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 0.00 102 Q 7.81 4.04 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 103 S 7.75 3.92 0.00 3.63 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.90 3.97 0.00 1.87 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 2.16 2.19 0.00 105 V 7.37 3.60 2.20 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 0.92 0.00 0.00 1.01 0.00 0.00 *107 R 7.99 4.23 0.00 1.85 1.94 0.00 3.26 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 108 E 7.86 3.84 0.00 2.17 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 2.26 2.29 0.00 109 L 7.80 3.86 0.00 1.93 1.74 0.57 0.69 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 0.00 110 A 8.38 4.30 1.44 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 0.00 0.00 111 E 8.15 4.11 0.00 2.10 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 2.26 2.20 0.00 112 S 7.67 4.92 0.00 3.92 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 0.00 113 E 8.40 4.95 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 114 P 0.00 4.78 0.00 2.09 2.06 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 C 8.13 4.82 0.00 2.86 3.08 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 0.00 0.00 0.00 116 I 7.89 4.85 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 1.00 0.00 0.00 117 F 9.13 5.23 0.00 3.04 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 0.00 118 V 8.71 4.75 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 1.12 0.00 0.00 0.99 0.00 0.00 119 G 8.96 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 0.00 120 R 9.01 3.75 0.00 2.08 2.14 0.00 3.28 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.75 0.00 121 A 8.97 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 0.00 122 A 8.14 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.66 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 0.00 124 Y 8.15 3.79 0.00 2.90 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 0.00 125 V 7.98 3.85 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 0.84 0.00 0.00 1.00 0.00 0.00 126 L 8.06 4.09 0.00 1.74 1.68 0.71 0.58 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.37 0.00 135 L 7.79 5.03 0.00 1.70 1.64 1.03 1.10 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 0.00 136 I 8.98 4.87 2.03 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 0.84 0.00 0.00 137 R 9.51 5.17 0.00 2.02 2.06 0.00 3.20 0.00 0.00 3.27 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 138 I 9.39 5.56 1.91 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 1.04 0.24 0.88 0.00 0.00 139 F 8.45 4.99 0.00 1.51 2.20 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 0.00 140 V 7.96 4.59 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 0.84 0.00 0.00 0.83 0.00 0.00 141 Y 8.31 5.17 0.00 3.43 2.88 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 0.00 142 T 8.95 4.70 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 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2.15 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 1.21 0.00 0.00 0.95 0.00 0.00 *153 E 8.15 4.25 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 2.29 2.36 0.00 154 V 8.52 3.60 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 0.74 0.00 0.00 0.92 0.00 0.00 155 D 8.16 4.67 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 7.55 3.99 0.00 3.12 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 0.00 157 I 7.35 4.55 1.89 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 1.51 0.71 0.98 0.00 0.00 158 D 8.16 4.70 0.00 2.94 2.88 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 0.00 159 E 8.81 3.97 0.00 2.03 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 2.40 2.35 0.00 160 E 8.08 3.96 0.00 2.01 1.94 0.00 0.00 0.00 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0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.41 7.81 169 I 7.94 3.79 1.28 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.82 0.00 0.00 170 E 8.14 3.79 0.00 2.22 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 0.00 2.68 2.59 0.00 171 K 8.13 3.80 0.00 2.03 1.88 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.42 7.81 172 E 7.92 3.90 0.00 2.14 1.88 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 2.26 2.39 0.00 173 R 7.69 3.75 0.00 1.06 0.95 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 174 K 7.36 3.79 0.00 1.69 1.89 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 175 E 8.41 4.00 0.00 2.11 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 2.33 2.35 0.00 176 Y 8.12 4.08 0.00 3.22 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 0.00 177 Y 8.25 3.89 0.00 3.54 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.52 4.34 0.00 2.05 1.81 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.31 7.81 179 Y 8.10 3.50 0.00 2.72 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 0.00 0.00 0.00 180 F 7.28 4.18 0.00 2.05 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 0.00 181 T 7.65 3.47 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 182 G 7.47 3.73 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 0.00 183 S 7.67 4.69 0.00 3.98 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 0.00 184 E 8.53 4.87 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 185 W 9.00 2.79 0.00 2.83 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 0.00 186 H 7.98 3.63 0.00 3.16 3.15 0.00 5.74 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.06 4.74 0.00 3.78 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 *189 K 8.53 4.23 0.00 1.92 1.97 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.47 7.81 190 N 8.08 4.58 0.00 2.44 2.45 0.00 0.00 6.77 7.08 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 0.00 191 Y 7.13 4.90 0.00 2.94 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 0.00 192 D 8.88 4.66 0.00 2.67 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 0.00 193 L 8.42 4.45 0.00 1.37 1.23 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 5.19 0.00 2.13 1.96 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 195 I 8.64 4.37 1.76 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 1.07 0.93 0.80 0.00 0.00 196 N 8.51 3.70 0.00 2.42 2.52 0.00 0.00 7.12 7.70 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 0.00 197 T 8.16 4.33 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 1.05 0.00 0.00 198 T 7.78 3.80 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 0.00 199 K 7.87 4.55 0.00 1.68 1.75 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 200 L 7.44 4.97 0.00 1.52 1.49 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 201 T 9.39 4.18 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 1.22 0.00 0.00 202 L 8.35 3.92 0.00 1.67 1.72 0.88 0.74 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 0.00 203 E 8.02 3.84 0.00 2.05 1.91 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 2.36 2.58 0.00 204 E 8.44 3.92 0.00 2.14 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 2.32 2.36 0.00 205 T 7.98 3.80 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 1.15 0.00 0.00 206 A 8.32 3.99 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 0.00 207 E 8.51 3.98 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 208 L 8.19 3.83 0.00 1.74 1.83 0.96 1.08 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 0.00 209 I 7.80 3.83 2.00 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 1.75 0.69 0.94 0.00 0.00 210 K 8.00 4.01 0.00 2.01 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.68 7.81 211 A 8.93 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 Y 8.02 3.80 0.00 3.25 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 0.00 213 I 8.11 3.73 1.96 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 1.70 0.60 1.05 0.00 0.00 214 R 8.21 3.87 0.00 2.14 1.94 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 215 L 7.39 3.81 0.00 1.34 1.54 0.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 216 K 7.23 3.70 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.14 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.79 0.99 7.81 217 G 7.97 3.86 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 0.00 0.00 0.00 218 F 8.13 4.79 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.