NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 L 4.7610 8.1849 120.5881 55.0188 43.1808 175.6999 15 T 4.6233 8.8476 119.6838 61.1421 72.5867 172.1004 16 R 4.6557 8.5810 123.0880 55.3077 31.7796 177.0708 17 K 3.4190 9.7307 124.9806 59.8351 32.2186 179.2549 18 E 3.8675 8.0858 116.8783 59.2969 29.4166 178.6870 19 D 4.2474 7.7948 119.6690 56.8886 40.9793 178.0669 20 L 3.6761 7.8039 120.8400 58.1267 41.9937 178.9677 21 L 3.8189 7.8722 119.3457 57.9691 41.3927 179.7386 22 T 3.7808 7.7535 109.6702 64.7376 68.4717 176.7660 23 V 3.5209 7.5053 120.1562 65.6783 31.3447 177.7258 24 L 4.0438 8.1518 119.3969 57.5118 41.2283 179.5650 25 K 4.0321 8.0321 117.8088 59.6458 32.6330 178.9290 26 Q 4.3580 7.6236 118.6929 57.3084 29.1264 176.0769 27 I 4.0849 7.3376 120.8881 60.0423 36.1044 176.6480 28 S 4.1557 8.5492 121.0872 60.7619 63.3022 175.9849 29 A 4.1245 8.0933 123.6684 54.1376 18.4038 176.4519 30 L 4.6603 7.2887 116.6828 53.3026 40.3276 176.3124 31 K 4.2066 8.4928 122.6235 58.0392 33.1715 176.1588 32 Y 4.6938 8.1017 122.2634 55.5737 41.1536 174.7590 33 V 4.7576 7.6150 125.6002 61.4645 34.7453 173.8035 34 S 4.5750 8.7973 121.1209 57.3918 66.1244 173.0987 35 N 5.0683 8.5457 120.0405 51.5342 38.7918 175.9788 36 L 4.0159 8.7647 121.2235 58.2969 42.1036 178.3432 37 Y 4.0482 8.0442 119.5984 61.1054 38.6093 178.3551 38 E 3.8915 9.2166 119.5377 59.1303 29.4387 179.2281 39 F 4.2336 7.9854 119.9353 61.4033 39.4616 177.2849 40 L 3.6571 8.0074 119.9977 56.6738 41.1694 179.4591 41 L 3.6356 7.3891 120.0271 58.0660 41.8837 178.7092 42 A 3.9330 7.7581 119.7052 55.1597 18.4016 178.9021 43 T 3.9330 7.7177 106.1910 61.3868 68.9621 175.1184 44 E 3.7552 7.9357 120.4314 57.5834 27.5282 176.0065 45 K 4.0284 8.0991 121.2817 58.4619 32.2885 177.0165 46 I 4.6886 7.1093 109.6365 59.1487 40.8861 173.8318 47 V 4.4705 8.3217 112.9170 59.0163 35.4627 176.6789 48 Q 3.9684 8.9034 122.3751 59.7933 28.5552 178.0574 49 T 4.3361 7.7483 103.7664 61.6105 69.4171 174.8704 50 S 4.1207 7.9484 119.7695 58.7510 63.2726 173.9737 51 E 4.1471 8.7163 122.6590 56.2566 29.3126 176.2369 52 L 4.8688 8.2252 123.4037 51.7426 45.3438 176.8662 53 D 4.5618 8.7901 122.4579 54.4953 43.2444 177.2419 54 T 3.8866 8.4864 115.4978 64.8526 68.7965 176.5374 55 Q 3.9632 8.2668 121.8504 59.0926 29.2269 177.8025 56 F 4.5258 8.2905 121.2273 61.4599 39.5753 176.6553 57 Q 3.8228 8.6198 119.6748 59.0814 28.9558 177.7994 58 E 3.9557 8.4122 120.3813 58.7841 29.6198 178.5847 59 F 4.1884 8.2154 121.1247 61.0854 39.4637 177.1902 60 L 3.5652 7.8661 119.0332 57.8932 41.2112 179.6255 61 T 3.9649 7.5198 108.4875 64.3888 68.8925 176.2533 62 T 4.2888 7.5230 111.0411 62.6632 69.6906 175.2065 63 T 4.3846 7.3292 120.0239 63.4994 69.6989 173.5974 64 I 5.0768 8.9618 127.3837 59.5402 39.9862 174.7859 65 I 5.3853 9.0417 119.0928 59.3543 41.3334 174.0843 66 A 5.5271 9.0650 124.4377 50.8237 23.0350 175.2252 67 S 4.5349 9.1297 114.1187 56.6188 66.5713 174.9700 68 E 4.4517 8.7257 119.9365 58.2675 30.3012 176.7324 69 Q 4.6854 7.7328 117.4455 53.5629 32.3077 173.7963 70 N 4.3011 8.6025 119.3882 53.1833 38.9759 174.1829 71 L 4.7204 8.1033 124.7782 54.5951 42.6398 178.3955 72 V 3.6596 8.1550 121.3050 66.3262 31.3116 178.2516 73 E 4.0652 8.3710 118.4245 59.5089 29.5308 179.1920 74 N 4.3483 8.1844 115.5117 55.9094 38.6515 175.4167 75 Y 4.5234 7.9974 113.2614 57.2469 38.3663 175.9091 76 K 3.8971 7.5137 120.1697 58.0532 32.5883 174.4411 77 Q 2.9160 8.3240 126.1391 56.3578 29.7805 172.8378 *87 M 4.2158 8.3281 121.5181 55.5686 33.3203 176.0605 88 T 4.3152 8.2514 119.9435 62.5302 71.3153 175.6772 89 I 3.6239 8.1541 123.1174 64.1882 37.9511 178.4700 90 K 3.9981 7.7533 118.7824 59.6081 31.9102 179.1027 91 Q 4.0120 7.9851 117.6963 59.0127 28.6800 178.8662 92 V 3.6588 8.0556 119.3471 66.0860 31.4950 178.2016 93 I 3.8359 8.0575 119.5815 64.3896 36.9790 178.0553 94 D 4.4096 8.3498 119.7752 57.6645 40.7225 178.6464 95 D 4.3369 8.3127 119.3505 57.3414 40.5555 178.7819 96 S 3.9278 7.9160 112.7785 61.5309 62.7946 176.0862 97 I 3.7369 7.9328 122.5226 64.2861 36.7633 178.5338 98 I 3.6305 7.7339 120.8397 64.2068 36.6731 178.3937 99 L 3.9726 7.6850 118.7084 57.3005 41.4042 179.1821 100 L 3.8403 7.3950 118.0931 56.1304 41.4286 175.8783 101 G 3.8335 7.8307 107.9492 46.2297 0.0000 173.5819 *103 K 4.1390 7.4766 119.4397 55.6168 33.5716 174.9609 104 Q 4.7991 8.0040 118.4106 55.7385 33.0255 174.4519 105 N 4.4321 8.8936 112.0231 54.5142 35.4466 173.5092 106 Y 4.7610 8.0597 115.5990 56.1585 39.8813 177.0191 107 V 3.5546 8.6502 124.7453 66.1269 31.6547 178.2419 108 Q 4.0605 7.9902 115.5475 58.3907 28.7088 177.0102 109 Q 4.1599 8.2134 117.9772 57.3801 29.2878 176.0192 110 I 3.7241 7.3133 118.5399 62.9129 37.3764 175.8676 111 G 3.9693 8.8379 113.7199 47.0810 0.0000 173.1593 112 T 5.0908 7.7624 113.8829 61.6927 72.7352 174.1405 113 T 4.6816 8.7367 120.4763 62.1325 72.1604 172.8819 114 T 5.1113 8.6748 122.7076 61.8369 71.1331 174.1218 115 I 4.4301 8.6474 126.8435 60.0305 40.3701 175.8148 116 G 3.7671 8.2831 117.5523 47.3022 0.0000 173.1248 117 F 4.3387 9.3382 123.7341 57.2150 38.8865 174.4112 118 Y 4.7084 8.2614 119.4156 56.0386 40.1727 174.7306 119 V 4.9161 8.3461 122.1601 61.2608 34.5191 174.0147 120 E 4.6023 8.7805 127.7816 55.8580 33.7344 175.7631 121 Y 4.5310 8.0093 128.8686 57.5999 43.9545 176.5641 *128 R 3.7365 8.8944 115.3321 55.3908 31.9678 176.1163 129 Q 3.9141 8.5327 122.0191 59.4526 29.1380 178.8655 130 T 4.1064 7.6275 116.1795 66.4635 68.4394 176.5798 131 L 3.5084 7.4751 118.7319 56.6312 41.7653 177.8013 132 Y 4.8118 7.3452 114.3596 57.5442 38.7617 175.8180 133 S 4.4708 7.4862 115.7072 57.7785 64.0201 175.4987 134 S 4.1240 8.6187 116.1254 61.5177 62.5561 176.2194 135 N 4.1423 8.0064 119.5678 56.3697 38.1744 177.2146 136 F 4.2373 7.9064 117.5049 60.2782 38.9806 178.1815 137 R 3.8928 8.0886 118.1699 59.2025 29.8680 178.7404 138 N 4.1502 8.4783 116.8423 55.9868 38.3294 177.2283 139 L 4.3081 8.1035 121.9230 58.0730 42.1331 178.7881 140 L 3.4255 8.0521 120.7496 58.1341 41.7247 178.8152 141 N 4.3306 7.8806 115.2345 56.1867 38.4624 177.1885 142 I 3.9667 7.6025 120.6803 64.1540 37.3414 178.0751 143 F 4.2922 8.4286 118.1830 58.0930 39.4960 177.1926 144 G 4.1142 8.4984 104.2983 45.6236 0.0000 173.4029 145 E 3.9800 9.0637 121.6860 59.4630 29.4104 179.0908 146 E 4.0647 8.2834 118.1829 59.7168 29.8067 178.4743 147 D 4.6365 8.3577 118.3680 57.2563 40.8566 178.4024 148 F 3.8319 8.6274 121.3464 61.1327 39.1157 177.2003 149 K 3.8757 8.2105 117.9916 59.9652 31.9081 178.9714 150 Y 4.0842 7.9730 116.3384 60.5484 37.7534 177.8101 151 F 4.4493 8.7422 122.4425 61.5676 39.2027 177.1062 152 L 3.7829 7.4232 116.1618 56.5213 41.3482 178.6912 153 I 4.2292 6.6660 116.0458 63.6083 38.0172 177.4756 154 D 4.4426 8.6701 117.8681 55.2271 41.4029 176.3289 155 F 4.9909 7.3486 117.4693 55.3163 43.2262 174.1181 156 L 4.6484 9.0280 122.5275 53.7007 43.3032 175.7224 157 V 4.6689 8.1099 124.2041 60.9884 34.1602 174.0331 158 F 5.5104 9.4568 127.1734 56.1644 41.6349 174.6416 159 T 5.0167 9.1468 120.6365 61.4245 71.8342 173.8527 160 K 3.6362 8.3293 126.1707 55.6810 32.2195 176.6198 161 V 3.9017 8.7313 127.6158 64.8841 32.1073 175.0384 162 E 4.5745 7.5684 117.1640 54.3614 33.5093 173.1422 163 Q 4.0300 8.7602 117.5035 57.7852 28.6301 176.6670 164 N 4.1508 9.0009 123.7187 54.4578 37.5828 174.5060 165 G 4.1940 8.2982 104.2998 44.9739 0.0000 171.9067 166 Y 5.2656 9.4449 125.0357 55.8981 40.8434 175.0048 167 L 5.1172 8.8372 123.4061 53.3930 46.0232 174.9623 168 Q 4.5559 8.9809 127.0542 55.9972 29.4090 175.5670 169 V 4.3885 8.7572 118.2972 61.2639 33.5985 175.0622 170 A 4.4486 7.7293 120.8663 51.7965 22.7804 176.4689 171 G 4.4667 9.0902 105.5221 45.5861 0.0000 173.2024 172 V 3.2268 7.6564 118.2033 62.3780 31.9619 175.3754 173 C 3.8826 8.6980 124.9287 60.2449 28.7611 174.5127 174 L 4.1262 8.9901 126.2231 58.3525 41.8183 178.3495 175 N 4.2979 8.3685 115.3696 56.7690 38.8846 175.6413 176 Q 3.9918 7.9870 116.3972 58.6506 28.8055 176.3852 177 Y 4.1674 7.8408 116.6007 56.6214 36.5074 175.1732 *186 K 4.3129 8.1977 122.2739 54.9366 34.1556 176.0892 187 W 5.0143 6.8680 111.4545 56.0601 30.6026 173.4293 188 Y 4.4857 8.8452 115.8171 59.2805 38.4358 176.5596 189 K 4.7438 8.0854 118.6074 55.4934 35.7274 175.8387 190 N 4.5428 8.1300 122.4109 52.6844 39.5071 173.7520 191 N 4.4739 7.7257 119.9050 53.4406 38.8147 175.7277 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 14 L 8.18 4.76 0.00 1.56 1.72 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.85 4.62 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 1.16 0.00 0.00 16 R 8.58 4.66 0.00 2.04 2.12 0.00 3.54 0.00 0.00 3.45 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 17 K 9.73 3.42 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.06 7.81 18 E 8.09 3.87 0.00 2.15 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 0.00 2.32 2.32 0.00 19 D 7.79 4.25 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 20 L 7.80 3.68 0.00 1.43 1.47 -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.87 3.82 0.00 1.57 1.58 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.75 3.78 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 23 V 7.51 3.52 2.11 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 0.80 0.00 0.00 0.89 0.00 0.00 24 L 8.15 4.04 0.00 1.70 1.58 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.03 4.03 0.00 1.85 1.88 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.44 7.81 26 Q 7.62 4.36 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 27 I 7.34 4.08 1.79 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 1.37 0.81 0.93 0.00 0.00 28 S 8.55 4.16 0.00 3.98 4.01 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 29 A 8.09 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.66 0.00 1.63 1.49 0.50 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.49 4.21 0.00 1.77 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 Y 8.10 4.69 0.00 3.12 2.92 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 33 V 7.61 4.76 1.93 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 0.73 0.00 0.00 0.85 0.00 0.00 34 S 8.80 4.58 0.00 3.55 3.53 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 35 N 8.55 5.07 0.00 3.21 2.93 0.00 0.00 5.55 6.67 0.00 0.00 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 L 8.76 4.02 0.00 1.70 1.77 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.04 4.05 0.00 2.91 3.12 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 0.00 0.00 0.00 38 E 9.22 3.89 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 39 F 7.99 4.23 0.00 3.24 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 40 L 8.01 3.66 0.00 1.62 1.44 0.83 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.39 3.64 0.00 1.64 1.53 0.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.76 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.72 3.93 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 0.35 0.00 0.00 44 E 7.94 3.76 0.00 2.04 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 2.16 2.18 0.00 45 K 8.10 4.03 0.00 1.53 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.34 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 0.94 7.81 46 I 7.11 4.69 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.89 0.00 0.00 47 V 8.32 4.47 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 0.68 0.00 0.00 0.92 0.00 0.00 48 Q 8.90 3.97 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 49 T 7.75 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 S 7.95 4.12 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.72 4.15 0.00 2.09 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 2.35 0.00 52 L 8.23 4.87 0.00 1.71 1.78 1.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.79 4.56 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.49 3.89 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 1.22 0.00 0.00 55 Q 8.27 3.96 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 56 F 8.29 4.53 0.00 3.13 3.26 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 57 Q 8.62 3.82 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 58 E 8.41 3.96 0.00 2.25 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 2.31 2.30 0.00 59 F 8.22 4.19 0.00 3.18 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 60 L 7.87 3.57 0.00 1.75 1.77 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.52 3.96 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 0.91 0.00 0.00 62 T 7.52 4.29 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 1.29 0.00 0.00 63 T 7.33 4.38 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 1.22 0.00 0.00 64 I 8.96 5.08 1.93 0.00 0.00 0.49 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 0.84 0.88 0.00 0.00 65 I 9.04 5.39 1.82 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 0.97 0.00 0.00 66 A 9.07 5.53 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 67 S 9.13 4.53 0.00 3.27 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.73 4.45 0.00 1.93 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 2.43 2.16 0.00 69 Q 7.73 4.69 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 70 N 8.60 4.30 0.00 2.82 2.76 0.00 0.00 6.87 7.78 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 71 L 8.10 4.72 0.00 1.98 2.02 0.71 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.16 3.66 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 0.89 0.00 0.00 1.02 0.00 0.00 73 E 8.37 4.07 0.00 2.07 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 2.43 2.31 0.00 74 N 8.18 4.35 0.00 3.22 2.85 0.00 0.00 6.96 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 75 Y 8.00 4.52 0.00 3.10 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 76 K 7.51 3.90 0.00 1.85 1.76 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.67 1.68 7.81 77 Q 8.32 2.92 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 *87 M 8.33 4.22 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 88 T 8.25 4.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 89 I 8.15 3.62 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.40 0.73 0.00 0.00 90 K 7.75 4.00 0.00 1.74 1.82 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.36 1.04 7.81 91 Q 7.99 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 92 V 8.06 3.66 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.04 0.00 0.00 93 I 8.06 3.84 2.28 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 0.97 0.00 0.00 94 D 8.35 4.41 0.00 2.91 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 95 D 8.31 4.34 0.00 2.86 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 96 S 7.92 3.93 0.00 3.90 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 97 I 7.93 3.74 2.00 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 1.45 1.09 0.87 0.00 0.00 98 I 7.73 3.63 1.87 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 1.38 0.66 0.51 0.00 0.00 99 L 7.68 3.97 0.00 1.60 1.56 0.48 0.81 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 0.00 100 L 7.39 3.84 0.00 1.63 1.43 0.57 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.83 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 *103 K 7.48 4.14 0.00 1.90 1.98 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 104 Q 8.00 4.80 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.41 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 105 N 8.89 4.43 0.00 2.83 2.89 0.00 0.00 6.74 7.48 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 0.00 106 Y 8.06 4.76 0.00 3.19 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 0.00 107 V 8.65 3.55 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 0.97 0.00 0.00 0.90 0.00 0.00 108 Q 7.99 4.06 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 109 Q 8.21 4.16 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 110 I 7.31 3.72 1.91 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 1.22 0.52 0.89 0.00 0.00 111 G 8.84 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 0.00 112 T 7.76 5.09 4.48 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 1.25 0.00 0.00 113 T 8.74 4.68 4.28 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 1.23 0.00 0.00 114 T 8.67 5.11 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 1.24 0.00 0.00 115 I 8.65 4.43 1.94 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 1.25 0.83 0.95 0.00 0.00 116 G 8.28 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 9.34 4.34 0.00 2.82 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 0.00 118 Y 8.26 4.71 0.00 3.22 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 0.00 119 V 8.35 4.92 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 0.95 0.00 0.00 0.96 0.00 0.00 120 E 8.78 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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 0.00 135 N 8.01 4.14 0.00 2.19 1.42 0.00 0.00 7.18 8.13 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 0.00 136 F 7.91 4.24 0.00 3.39 3.38 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 0.00 137 R 8.09 3.89 0.00 1.96 1.90 0.00 3.20 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 138 N 8.48 4.15 0.00 2.18 1.71 0.00 0.00 6.64 6.53 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 0.00 139 L 8.10 4.31 0.00 2.24 2.21 1.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.05 3.43 0.00 0.66 1.51 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.88 4.33 0.00 2.82 2.83 0.00 0.00 7.13 7.61 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 0.00 142 I 7.60 3.97 2.08 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 1.55 0.58 0.80 0.00 0.00 143 F 8.43 4.29 0.00 3.39 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.50 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.06 3.98 0.00 2.10 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 2.47 2.46 0.00 146 E 8.28 4.06 0.00 2.20 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 2.61 2.69 0.00 147 D 8.36 4.64 0.00 3.42 3.40 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 0.00 148 F 8.63 3.83 0.00 3.37 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.21 3.88 0.00 1.93 1.57 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.79 7.81 150 Y 7.97 4.08 0.00 3.22 3.35 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 0.00 151 F 8.74 4.45 0.00 2.79 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 0.00 152 L 7.42 3.78 0.00 1.44 1.54 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 153 I 6.67 4.23 2.07 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 1.27 0.49 0.92 0.00 0.00 154 D 8.67 4.44 0.00 2.70 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 0.00 0.00 0.00 155 F 7.35 4.99 0.00 2.32 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 0.00 0.00 0.00 156 L 9.03 4.65 0.00 1.59 1.26 0.79 0.83 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 0.00 157 V 8.11 4.67 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 1.05 0.00 0.00 0.61 0.00 0.00 158 F 9.46 5.51 0.00 3.05 3.14 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 0.00 159 T 9.15 5.02 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 1.51 0.00 0.00 160 K 8.33 3.64 0.00 0.98 1.51 0.00 1.69 0.00 0.00 1.37 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.20 7.81 161 V 8.73 3.90 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 0.84 0.00 0.00 1.00 0.00 0.00 162 E 7.57 4.57 0.00 2.01 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 2.30 2.29 0.00 163 Q 8.76 4.03 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 164 N 9.00 4.15 0.00 2.98 2.86 0.00 0.00 6.77 8.37 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 0.00 165 G 8.30 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 0.00 166 Y 9.44 5.27 0.00 3.07 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 0.00 167 L 8.84 5.12 0.00 1.79 1.52 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.98 4.56 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.05 1.71 0.00 169 V 8.76 4.39 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 0.79 0.00 0.00 0.98 0.00 0.00 170 A 7.73 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 G 9.09 4.47 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 0.00 172 V 7.66 3.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.27 0.00 0.00 173 C 8.70 3.88 0.00 2.94 2.87 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 0.00 174 L 8.99 4.13 0.00 2.02 1.84 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.37 4.30 0.00 2.72 2.86 0.00 0.00 6.98 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 0.00 176 Q 7.99 3.99 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 177 Y 7.84 4.17 0.00 3.06 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 *186 K 8.20 4.31 0.00 1.16 1.65 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.11 7.81 187 W 6.87 5.01 0.00 3.31 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 0.00 188 Y 8.85 4.49 0.00 3.06 3.13 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 0.00 189 K 8.09 4.74 0.00 1.79 1.69 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 190 N 8.13 4.54 0.00 1.44 1.42 0.00 0.00 7.08 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 0.00 191 N 7.73 4.47 0.00 2.71 2.68 0.00 0.00 7.08 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 * Residues marked with a * may have inaccurate shift predictions.