NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7486 8.4201 119.2117 53.7999 39.3904 173.6713 0 A 4.7098 8.2902 129.3978 51.9800 19.8123 175.1738 1 M 4.3394 9.5922 118.3552 57.6940 32.3072 175.0425 2 Y 4.3781 7.9055 116.5479 58.2349 39.1852 174.7833 3 T 4.7918 9.0670 115.0391 60.4837 70.8817 172.5530 4 I 5.2643 8.3185 125.9557 59.8044 39.9704 174.9892 5 T 4.8049 8.7619 115.6466 59.7449 72.5807 173.0935 6 D 5.0985 8.7830 122.3421 55.0679 41.6214 175.9999 7 I 4.7398 8.1205 113.2576 58.8204 41.0184 174.9537 8 A 3.9361 8.5589 127.8690 51.5776 18.5942 176.6655 9 P 3.4283 0.0000 0.0000 64.2155 31.2981 176.8773 10 T 4.3515 7.4702 107.9209 61.9147 70.3216 174.7901 11 D 4.2902 7.6366 121.3670 54.8350 42.2173 176.9489 12 A 4.0662 8.9336 128.3293 55.7240 18.3197 179.3918 13 E 4.0170 8.8193 117.0024 59.2127 29.4662 179.4286 14 F 4.1561 8.0898 120.4473 61.4241 39.6723 177.0706 15 I 3.6909 8.0936 119.2645 64.4439 36.7922 178.3118 16 A 3.9737 8.1529 121.4576 54.9621 18.2269 179.6707 17 L 3.8145 7.6321 117.0040 57.9610 41.6690 179.4666 18 I 3.3464 7.2890 119.4102 64.4372 36.9913 178.1183 19 A 3.8658 8.2186 121.2771 55.1513 18.1149 179.5118 20 A 3.8092 7.9352 119.2993 55.0005 18.3303 179.2453 21 L 3.5898 7.4563 119.0883 58.7220 41.8417 179.2412 22 D 4.2615 7.9970 116.8785 57.0075 40.4414 178.4070 23 A 4.1176 8.0913 121.7943 54.6668 18.3202 179.3069 24 W 4.2772 8.5355 127.1557 60.8640 30.7632 178.1637 25 Q 3.2683 7.9054 116.8000 58.1198 28.4684 178.6601 26 E 4.0162 7.4239 118.5983 58.7728 29.8038 178.0035 27 T 3.8860 7.8283 115.0670 66.0008 68.6425 174.8902 *37 L 4.2465 8.0233 120.9718 54.9004 42.4478 177.7766 38 D 4.3934 8.2219 118.2969 56.8452 41.1020 178.7296 39 L 4.1360 8.0287 118.9055 57.3839 41.4145 179.2713 40 S 3.9567 7.7441 113.8487 61.3851 63.0101 175.7335 41 Q 4.1221 7.6388 120.4415 58.4326 28.7565 177.0585 42 L 4.1117 7.1819 116.3603 53.5422 42.3869 174.9044 43 P 4.1861 0.0000 0.0000 62.6455 31.5112 175.7099 44 P 4.2959 0.0000 0.0000 65.4802 31.6038 178.8472 45 Q 3.9814 8.1345 116.6227 58.9322 28.8046 177.2053 46 T 4.2273 8.0449 106.1996 61.9357 69.3153 173.6864 47 V 4.7650 7.4035 122.9881 61.3809 33.8155 174.4960 48 I 4.5750 9.0098 128.8975 59.6994 39.5960 174.6657 49 A 5.1226 8.3559 127.1491 50.4034 22.5862 174.7303 50 L 5.3671 9.2860 121.0436 52.9388 46.6496 175.4481 51 A 5.3727 9.1469 121.9337 50.3978 22.9596 174.9513 52 I 5.0809 8.5828 120.5284 59.6824 39.9710 175.1204 53 R 5.3303 8.8776 125.1933 54.0334 33.5958 175.9429 54 S 4.0671 8.6968 117.9587 57.2712 63.6901 172.7764 55 P 4.2507 0.0000 0.0000 65.4067 31.3097 178.1358 56 Q 3.9983 8.1568 116.7455 60.1257 28.5233 177.2430 57 G 3.7934 7.6557 101.6269 44.8982 0.0000 173.5130 58 E 3.8700 8.3376 122.3159 55.8043 29.9056 175.7668 59 A 4.5622 8.8397 130.6999 52.6013 18.9123 177.0841 60 V 4.4862 8.8606 120.5030 60.8130 33.8376 175.1563 61 G 4.4342 7.9271 106.8618 46.4495 0.0000 171.7990 62 C 5.2341 8.7169 115.3041 57.8268 33.7263 172.3772 63 G 4.8130 8.9904 105.1793 45.8441 0.0000 172.0412 64 A 5.3146 8.4696 119.9959 51.0158 23.3665 175.4982 65 I 5.0406 9.2571 120.2297 59.5544 41.3257 174.6842 66 V 4.7214 9.1477 127.4016 61.3931 33.0490 174.4031 67 L 5.0795 8.7742 129.1581 53.7879 42.8561 176.6340 68 S 4.9287 8.9160 118.3911 56.5698 65.7012 174.7431 69 E 4.1856 8.8608 117.0582 57.9195 29.8141 176.9858 70 E 4.4365 8.1475 118.6879 56.3209 29.6409 177.1201 71 G 3.7621 8.0537 107.5021 45.2911 0.0000 173.9877 72 F 4.5469 7.7078 118.3321 56.9668 40.7731 174.6700 73 G 4.4294 8.7905 107.3803 44.5207 0.0000 170.9039 74 E 5.1786 9.7427 126.0632 54.4334 31.9265 174.2250 75 M 4.9784 8.8857 128.1699 54.8422 33.3249 175.1320 76 K 4.5128 9.7264 124.2701 55.8570 37.2549 175.2009 77 R 3.6604 8.5154 115.7216 57.2295 27.5509 176.1212 78 V 4.6869 7.8833 116.5844 62.5240 32.7610 174.4240 79 Y 4.9464 8.8893 127.1996 56.6728 42.7985 173.0188 80 I 4.5430 7.3350 125.4196 58.8386 40.4978 174.6765 81 D 3.9391 8.8506 127.2737 54.6260 41.4819 175.8496 82 P 3.9642 0.0000 0.0000 65.8257 31.5986 177.6383 83 Q 4.0669 8.2707 114.8597 57.2616 28.8356 176.0512 84 H 4.6769 8.3202 114.0526 55.2818 29.7396 174.5401 85 R 3.9387 7.1005 118.8113 56.6269 30.4180 176.9156 86 G 3.9833 9.7172 106.5798 45.6900 0.0000 174.0780 87 Q 4.3973 7.2285 116.7962 55.8661 29.2861 175.5705 88 Q 3.7604 8.4411 114.2338 58.1826 26.1242 175.7694 89 L 4.0159 7.2890 120.8718 57.4669 41.4062 179.4178 90 G 3.5744 7.9167 105.4482 47.7484 0.0000 174.8804 91 E 3.9166 8.1273 121.5679 58.8974 29.4637 178.7161 92 K 3.9027 7.7536 118.9533 59.3555 32.2652 178.4220 93 L 3.9858 8.2154 120.8511 58.0794 42.0940 178.2382 94 L 3.9750 8.5184 120.4325 58.6305 41.9097 179.0819 95 A 4.2119 8.1280 119.8921 55.0262 18.2639 179.3922 96 A 4.0227 7.7592 119.5494 54.9820 18.5278 179.8971 97 L 4.0114 8.2104 117.8223 57.7936 41.6390 179.3338 98 E 3.9694 8.4257 118.3852 59.4713 29.5051 179.1875 99 A 4.0114 8.2056 120.7536 55.3667 18.2229 179.9212 100 K 4.0061 7.9104 115.4082 59.2408 32.2935 179.3025 101 A 4.1341 8.1010 121.4071 55.1516 18.3233 179.6519 102 R 3.8751 8.2586 116.9394 59.7128 30.0056 179.0204 103 Q 4.2713 7.8713 115.0276 57.5417 27.2738 177.6820 104 R 4.5191 7.8348 119.1187 55.3721 30.3996 176.3574 105 D 4.4789 8.1918 116.5854 55.1441 38.9504 173.5070 106 C 4.2909 7.4458 119.0263 59.6295 32.0895 172.8562 107 H 4.8390 8.7179 121.5827 56.1224 30.9038 174.3217 108 T 4.9257 7.1675 115.5405 61.9141 73.0137 172.4709 109 L 5.1698 8.6793 126.1094 53.2267 44.1028 175.8917 110 R 5.3460 8.8917 121.8420 54.5116 34.3196 174.3425 111 L 5.1315 9.1543 119.8236 54.6478 44.3445 173.9944 112 E 4.9631 8.9245 121.2033 54.6435 31.7031 174.9131 113 T 4.6337 8.5022 115.8945 59.3316 73.1075 173.7727 114 G 3.8233 8.3689 110.9085 45.1655 0.0000 174.9421 115 I 3.6946 7.9214 114.2395 63.5762 37.7321 177.2237 116 H 4.2768 7.8476 117.0148 57.9581 29.2258 176.5391 117 Q 4.5905 7.5599 121.8621 54.8471 25.1945 175.7514 118 H 4.1850 7.9503 121.0692 58.7241 29.4344 177.1081 119 A 3.9174 8.1366 121.8498 55.2170 18.2293 179.4600 120 A 3.5712 7.8624 118.6148 55.1859 18.5711 179.7440 121 I 3.7552 7.9407 118.2935 64.5391 37.1179 178.6052 122 A 4.0246 8.1936 121.7607 54.7804 17.9344 179.3916 123 L 3.7712 7.5057 118.2112 58.5566 42.4472 178.5971 124 Y 4.4444 7.4016 116.5229 61.3996 37.6455 178.5342 125 T 4.1911 8.0815 116.7117 66.9242 68.4179 176.7924 126 R 4.1277 8.1722 118.3399 58.0547 30.0889 176.8826 127 N 5.0194 8.3229 116.2368 52.9038 39.4463 175.4797 128 G 3.9400 8.2356 106.3437 45.2636 0.0000 174.2188 129 Y 4.3560 7.8314 116.7682 57.9322 38.9756 175.0751 130 Q 4.9034 9.1104 121.2659 53.8982 33.0301 175.2495 131 T 4.7830 8.6499 112.6531 62.6058 69.7474 173.0064 132 R 4.7013 8.6174 118.7335 55.7211 32.8925 174.0366 133 C 4.3930 8.7530 116.7284 58.6635 28.9492 173.2048 134 A 2.0000 7.5568 123.2113 51.6185 18.6041 177.0497 135 F 4.8354 7.0014 114.4201 54.1175 41.2448 174.1182 136 A 4.1700 8.5954 124.3866 52.5060 18.4816 175.9193 137 P 4.7111 0.0000 0.0000 62.9340 32.1787 175.0579 138 Y 4.8438 7.6744 115.8749 57.5173 40.2838 175.4370 139 Q 4.6332 8.3082 120.9248 53.2457 31.2869 171.3605 140 P 4.8970 0.0000 0.0000 62.7407 30.6837 175.2618 141 D 4.2879 9.5879 124.4859 56.8464 41.6439 175.3146 142 P 3.8125 0.0000 0.0000 59.4696 29.2634 174.2190 143 L 4.5688 8.2772 122.8168 53.3559 42.7622 176.2316 144 S 4.5735 8.5225 119.1537 56.3946 66.6224 173.4803 145 V 4.2088 8.4571 121.2485 61.1507 34.1265 174.2006 146 F 5.5070 8.6995 125.8875 56.3804 41.5931 174.6024 147 M 5.6633 9.4341 121.3646 54.1982 36.9358 173.7253 148 E 5.3729 9.1762 118.2734 55.7408 34.3222 173.6952 149 K 4.5325 8.4714 120.3668 54.3350 35.8128 172.9407 150 P 4.6236 0.0000 0.0000 62.9259 31.5924 175.9800 151 L 3.8961 8.5571 123.5848 54.8155 43.0107 176.9010 152 F 4.3898 7.6821 120.6730 57.8477 38.3691 174.4443 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 -1 N 8.42 4.75 0.00 2.77 2.95 0.00 0.00 6.72 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 0 A 8.29 4.71 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 1 M 9.59 4.34 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 2 Y 7.91 4.38 0.00 2.84 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 3 T 9.07 4.79 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 1.24 0.00 0.00 4 I 8.32 5.26 1.91 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 1.44 0.94 0.95 0.00 0.00 5 T 8.76 4.80 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 1.24 0.00 0.00 6 D 8.78 5.10 0.00 2.58 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 7 I 8.12 4.74 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 1.01 0.00 0.00 8 A 8.56 3.94 1.24 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 9 P 0.00 3.43 0.00 2.11 1.86 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 10 T 7.47 4.35 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 11 D 7.64 4.29 0.00 2.76 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 12 A 8.93 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.82 4.02 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 14 F 8.09 4.16 0.00 3.05 3.23 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 15 I 8.09 3.69 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.92 0.00 0.00 16 A 8.15 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.63 3.81 0.00 1.65 1.79 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.29 3.35 1.85 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.45 0.81 0.00 0.00 19 A 8.22 3.87 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 20 A 7.94 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.46 3.59 0.00 1.15 1.64 1.26 1.25 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 22 D 8.00 4.26 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 4.12 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 24 W 8.54 4.28 0.00 3.50 3.55 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 25 Q 7.91 3.27 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.35 0.00 26 E 7.42 4.02 0.00 2.07 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 2.28 2.34 0.00 27 T 7.83 3.89 4.08 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 1.23 0.00 0.00 *37 L 8.02 4.25 0.00 1.91 1.80 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.22 4.39 0.00 2.79 2.77 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 39 L 8.03 4.14 0.00 1.85 1.76 1.14 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 40 S 7.74 3.96 0.00 3.99 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 41 Q 7.64 4.12 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 42 L 7.18 4.11 0.00 1.59 1.61 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.19 0.00 2.09 2.03 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 44 P 0.00 4.30 0.00 2.16 2.08 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 45 Q 8.13 3.98 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 46 T 8.04 4.23 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 47 V 7.40 4.77 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 0.78 0.00 0.00 0.99 0.00 0.00 48 I 9.01 4.57 1.89 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 1.17 0.68 0.93 0.00 0.00 49 A 8.36 5.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.29 5.37 0.00 1.62 1.56 0.96 0.94 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 51 A 9.15 5.37 1.29 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 0.00 0.00 52 I 8.58 5.08 1.90 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 1.25 0.83 1.03 0.00 0.00 53 R 8.88 5.33 0.00 1.75 1.95 0.00 3.16 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 54 S 8.70 4.07 0.00 3.78 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 55 P 0.00 4.25 0.00 1.91 2.03 0.00 3.27 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 56 Q 8.16 4.00 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 57 G 7.66 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 58 E 8.34 3.87 0.00 2.01 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 2.40 2.33 0.00 59 A 8.84 4.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.86 4.49 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 0.94 0.00 0.00 0.60 0.00 0.00 61 G 7.93 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 0.00 0.00 0.00 0.00 62 C 8.72 5.23 0.00 3.39 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 63 G 8.99 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.47 5.31 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 65 I 9.26 5.04 1.91 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 1.16 0.69 0.94 0.00 0.00 66 V 9.15 4.72 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 0.99 0.00 0.00 0.99 0.00 0.00 67 L 8.77 5.08 0.00 1.56 1.58 0.92 1.14 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 68 S 8.92 4.93 0.00 3.92 4.05 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 69 E 8.86 4.19 0.00 2.12 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 0.00 2.30 2.35 0.00 70 E 8.15 4.44 0.00 2.24 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 2.36 2.48 0.00 71 G 8.05 3.76 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 0.00 0.00 0.00 72 F 7.71 4.55 0.00 3.04 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 73 G 8.79 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 0.00 0.00 0.00 0.00 74 E 9.74 5.18 0.00 2.10 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 2.38 2.64 0.00 75 M 8.89 4.98 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 76 K 9.73 4.51 0.00 1.87 1.98 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 77 R 8.52 3.66 0.00 2.15 2.04 0.00 3.30 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 78 V 7.88 4.69 2.25 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 0.83 0.00 0.00 1.11 0.00 0.00 79 Y 8.89 4.95 0.00 3.04 2.70 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 80 I 7.34 4.54 1.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.89 0.70 0.00 0.00 81 D 8.85 3.94 0.00 2.81 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 82 P 0.00 3.96 0.00 2.13 1.95 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 83 Q 8.27 4.07 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 84 H 8.32 4.68 0.00 3.07 3.19 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.10 3.94 0.00 1.79 1.73 0.00 2.94 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 86 G 9.72 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.23 4.40 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.01 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 88 Q 8.44 3.76 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 89 L 7.29 4.02 0.00 1.53 1.52 0.31 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.92 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.13 3.92 0.00 2.09 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 2.39 2.39 0.00 92 K 7.75 3.90 0.00 1.88 1.91 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 93 L 8.22 3.99 0.00 1.79 1.91 0.98 0.64 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 94 L 8.52 3.98 0.00 1.90 1.97 1.07 1.20 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 95 A 8.13 4.21 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 96 A 7.76 4.02 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 97 L 8.21 4.01 0.00 1.93 1.78 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.43 3.97 0.00 2.22 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 2.69 0.00 99 A 8.21 4.01 1.34 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 0.00 0.00 100 K 7.91 4.01 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.63 7.81 101 A 8.10 4.13 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 0.00 102 R 8.26 3.88 0.00 2.03 2.03 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 103 Q 7.87 4.27 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.26 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 104 R 7.83 4.52 0.00 1.92 1.89 0.00 3.41 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 105 D 8.19 4.48 0.00 2.79 2.77 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 0.00 106 C 7.45 4.29 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.72 4.84 0.00 3.09 3.42 0.00 5.48 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 0.00 108 T 7.17 4.93 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 1.32 0.00 0.00 109 L 8.68 5.17 0.00 1.62 1.76 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.89 5.35 0.00 1.09 1.06 0.00 2.96 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 111 L 9.15 5.13 0.00 1.62 1.52 0.75 -0.44 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 0.00 112 E 8.92 4.96 0.00 1.64 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 1.47 1.47 0.00 113 T 8.50 4.63 4.20 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 1.30 0.00 0.00 114 G 8.37 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.92 3.69 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.34 0.84 0.00 0.00 116 H 7.85 4.28 0.00 3.00 3.25 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.56 4.59 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 118 H 7.95 4.18 0.00 3.29 3.37 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.14 3.92 1.24 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 0.00 120 A 7.86 3.57 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 0.00 121 I 7.94 3.76 2.01 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 1.51 0.66 0.97 0.00 0.00 122 A 8.19 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.51 3.77 0.00 1.41 1.39 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.40 4.44 0.00 3.04 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 0.00 125 T 8.08 4.19 4.30 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 1.28 0.00 0.00 126 R 8.17 4.13 0.00 2.06 2.03 0.00 3.09 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 127 N 8.32 5.02 0.00 2.90 2.91 0.00 0.00 7.16 6.94 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 0.00 128 G 8.24 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 0.00 129 Y 7.83 4.36 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 0.00 130 Q 9.11 4.90 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 131 T 8.65 4.78 4.33 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 1.28 0.00 0.00 132 R 8.62 4.70 0.00 1.87 2.04 0.00 3.16 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 1.80 1.77 0.00 133 C 8.75 4.39 0.00 2.91 2.85 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 0.00 0.00 0.00 134 A 7.56 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.00 4.84 0.00 2.94 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 0.00 136 A 8.60 4.17 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 0.00 137 P 0.00 4.71 0.00 1.98 1.98 0.00 2.94 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.72 0.00 138 Y 7.67 4.84 0.00 2.85 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 0.00 139 Q 8.31 4.63 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 140 P 0.00 4.90 0.00 2.20 2.19 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 141 D 9.59 4.29 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 142 P 0.00 3.81 0.00 2.13 2.14 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 143 L 8.28 4.57 0.00 1.42 1.49 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.52 4.57 0.00 3.17 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 0.00 145 V 8.46 4.21 1.97 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 0.99 0.00 0.00 0.83 0.00 0.00 146 F 8.70 5.51 0.00 3.39 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 0.00 147 M 9.43 5.66 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 148 E 9.18 5.37 0.00 2.16 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 2.24 2.26 0.00 149 K 8.47 4.53 0.00 0.79 0.74 0.00 0.74 0.00 0.00 1.24 0.00 0.00 2.64 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.88 1.02 7.81 150 P 0.00 4.62 0.00 1.75 1.88 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 151 L 8.56 3.90 0.00 1.38 1.64 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.68 4.39 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.