NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6183 8.2227 120.2117 54.4501 43.4887 177.3515 3 F 3.9867 8.1458 120.7622 60.7417 39.5292 175.4270 4 L 3.2233 8.3065 119.8171 57.5674 42.2198 177.8639 5 R 4.3779 7.4935 113.8249 56.8052 30.2409 176.9311 6 S 4.5299 7.4071 111.9997 57.6378 63.7790 174.6415 7 L 3.5330 7.3621 121.6411 55.3143 41.6709 176.2898 8 D 4.6454 8.0197 122.9343 52.5985 41.3957 174.7691 9 W 4.8140 8.5106 125.6095 56.1126 30.3567 175.9132 10 T 4.4877 9.2889 122.7510 62.0501 69.7964 174.3614 11 Q 3.9794 8.7719 128.3685 55.3632 28.1675 175.8066 12 V 3.7421 8.1564 119.4722 63.4516 32.1445 177.1287 13 I 4.4510 7.0857 117.8096 58.1072 40.9775 173.7708 14 A 4.0712 8.4926 127.6125 54.0353 18.4178 178.4671 15 G 4.0090 9.5188 111.0394 45.5210 0.0000 172.6947 16 Q 4.9762 8.1507 119.5428 54.1881 32.1351 174.2119 17 Y 5.2667 8.8543 120.8406 56.2856 42.3412 174.9771 18 V 5.3234 9.1207 115.1655 59.9771 35.9703 174.7437 19 S 4.7630 8.5567 115.5198 56.3001 66.4826 173.4019 20 N 5.2411 7.9458 116.2023 51.2865 36.9148 171.8999 21 P 4.6332 0.0000 0.0000 63.4502 32.8575 176.0552 22 R 4.9278 8.4517 117.0790 53.4753 33.0454 174.8575 23 F 4.7128 7.9804 116.7467 56.2320 41.4474 172.3298 24 N 4.7851 8.6549 116.9805 52.5516 39.1719 176.2533 25 I 3.9686 8.7884 125.7467 64.7354 37.3192 178.2390 26 S 4.9938 7.9479 110.9545 59.6357 63.2219 174.8938 27 D 4.3248 8.0819 121.2296 56.7568 40.7472 176.5586 28 Y 4.6662 7.9803 114.1728 57.3282 41.3579 175.5354 29 F 5.4982 8.9360 117.2794 55.4658 43.3094 173.9156 30 E 4.7408 9.5792 122.5920 55.4662 31.1914 174.8976 31 I 4.6558 8.4124 127.4866 60.2437 38.8300 175.3693 32 V 4.2333 9.0013 128.3443 60.9049 32.5249 174.9441 33 R 4.5908 8.6126 127.1846 56.5329 30.5245 176.4747 34 Q 4.7041 9.9963 122.7139 53.0544 31.8893 174.0692 35 P 4.3693 0.0000 0.0000 62.9481 32.2073 177.6969 36 G 3.9511 8.3163 111.9679 44.3451 0.0000 173.1155 37 D 4.8561 8.0316 117.2132 53.2176 40.2277 178.2852 38 G 4.2777 8.4103 109.7193 47.5888 0.0000 174.8961 39 N 5.0067 8.0895 115.5720 53.0882 39.1603 176.1639 40 C 4.1395 7.8271 117.1652 60.8936 29.5694 175.5608 41 F 3.7833 8.0610 123.0840 61.4867 39.0162 176.5588 42 Y 3.9945 7.5692 115.7763 61.1588 37.7734 177.5156 43 H 4.2627 8.3796 117.4937 59.4115 28.4581 177.9818 44 S 4.1309 8.0648 116.5531 61.4807 62.6941 176.8596 45 I 3.4033 7.3206 121.9943 64.1861 36.5667 178.3629 46 A 4.0541 7.8893 120.7630 55.0151 18.2811 178.7910 47 E 4.0129 8.1972 117.1440 59.1533 29.7215 178.3674 48 L 4.5288 7.4129 116.8188 54.9967 42.3932 177.1456 49 T 4.5149 7.5478 109.0407 60.4660 69.1845 172.2425 *51 P 4.0894 0.0000 0.0000 64.8701 32.7099 175.5147 52 N 4.1453 8.8378 116.0021 54.0511 36.0666 174.8251 53 K 4.0833 7.8870 117.4335 56.9108 33.4053 175.1765 54 T 4.7625 9.0311 114.5071 59.9499 71.9323 174.0143 55 D 4.6777 8.6449 118.7879 55.9812 40.6771 177.3210 56 H 4.8512 7.8067 116.4781 56.0525 29.8775 176.5249 57 S 4.0819 8.2791 118.0448 61.3236 62.5979 175.9092 58 Y 4.2321 8.0818 120.1915 60.0311 37.6409 177.6392 59 H 3.5943 6.5044 118.4055 59.1155 28.6654 177.0721 60 Y 4.4670 7.3202 117.6088 61.1597 37.5720 178.6740 61 I 3.8222 7.8148 120.2878 64.4592 37.2377 178.4589 62 K 3.6838 8.0771 119.2758 59.3041 31.7388 179.3971 63 R 3.9333 7.9685 119.1290 59.2207 30.0302 178.5473 64 L 4.1151 8.3781 119.4068 57.8793 41.5546 179.5465 65 T 4.0551 8.3168 116.3025 66.5002 68.3911 176.0208 66 E 3.9210 8.5512 121.6030 59.4355 29.1463 178.4784 67 S 4.0627 8.1215 112.7184 61.6576 62.3026 176.1752 68 A 4.1398 8.6558 123.1310 55.2775 18.1615 179.4588 69 A 4.0671 8.5267 119.6273 55.4368 18.2596 179.8509 70 R 3.9347 7.8164 115.5468 59.4696 30.1913 179.1235 71 K 3.8999 7.4058 116.1331 58.8264 32.4435 178.1471 72 Y 4.7637 7.8980 115.2736 58.3881 39.5701 177.1147 73 Y 4.0542 8.3916 121.4541 61.0796 38.4733 178.1796 74 Q 4.0268 8.1911 118.5188 57.9720 29.2193 176.2195 75 E 4.5251 7.7194 117.2689 55.8439 30.1663 175.1958 76 E 4.2589 7.8082 120.3465 54.8208 30.2959 175.7969 77 P 4.1770 0.0000 0.0000 65.5535 31.8919 178.3746 78 E 3.9315 8.1321 118.1153 58.6848 29.9654 178.2697 79 A 3.9044 7.6036 120.7448 55.0709 17.8470 179.6745 80 R 3.8137 7.6764 115.7044 58.9513 30.0478 179.0033 81 L 4.1294 7.5947 118.5804 57.7807 41.7532 179.2238 82 V 3.8312 7.6300 116.5501 64.5329 31.6279 176.9343 83 G 3.9362 8.1724 104.3887 45.9428 0.0000 172.9299 84 L 4.6952 7.3297 118.6827 52.6257 43.4347 177.4436 85 S 4.3992 8.4845 116.6272 58.4881 64.6329 175.2551 86 L 3.5811 8.5576 124.1792 58.5761 41.8450 179.2947 87 E 3.9480 8.0997 117.8513 59.3934 29.4880 178.9104 88 D 4.2915 7.9808 118.5136 57.3652 40.6702 177.8361 89 Y 3.9842 7.7876 118.8919 60.8170 38.7371 177.9167 90 L 3.7823 7.7674 118.3332 57.7920 41.8899 178.9542 91 K 3.9300 7.5665 117.8608 59.5624 32.4503 178.6454 92 R 4.0582 7.7514 117.9649 56.6954 30.3007 177.7110 *94 L 4.2329 7.9298 117.1430 53.6775 43.7940 177.7881 95 S 4.2245 7.4705 115.0297 58.2648 63.3335 173.5921 96 D 4.4413 8.4915 123.3168 56.2014 40.9220 176.6544 97 N 4.7476 8.8670 119.7692 53.4221 36.8982 173.4690 98 E 4.2337 7.9363 120.4471 55.3421 30.0501 176.6879 99 W 4.7009 8.4441 126.1937 56.4823 29.6771 176.3375 100 G 3.4606 8.4275 111.8532 45.0013 0.0000 172.2785 101 S 4.3978 7.1627 113.3456 56.4566 67.1633 175.4067 102 T 3.7568 8.4815 111.5523 64.9482 67.6433 175.7671 103 L 3.7637 7.6916 122.3105 58.2268 42.2939 178.3456 104 E 4.1361 7.9706 116.5167 59.3801 29.6174 178.8609 105 A 4.2386 7.6067 120.7462 55.0375 18.2196 179.9076 106 S 3.8916 6.8302 107.4884 59.2205 61.9935 175.6076 *108 L 4.2687 7.8911 121.8553 54.4011 43.7532 178.8425 109 A 4.1589 8.2007 121.4499 55.3186 18.5303 179.8446 110 K 3.7916 7.5427 113.8336 59.6857 31.9797 178.8795 111 E 4.3059 7.6485 113.7438 57.1602 28.7381 176.9238 *113 G 3.8137 7.8791 104.4722 45.0175 0.0000 172.6324 114 I 4.6074 7.7365 111.9158 58.8181 40.9572 174.0349 115 T 4.7684 8.1664 116.2491 61.9670 70.7326 173.8540 116 I 4.9945 8.6615 127.0234 59.5488 40.1593 174.4812 117 I 4.6733 8.7605 128.0048 59.4395 39.9489 174.5453 118 I 4.8042 8.6489 128.1260 59.5318 39.3876 174.5455 119 W 5.2320 9.3110 128.3932 55.5693 31.0855 175.2751 120 T 5.1693 8.8577 119.3734 60.3867 69.4422 173.0549 121 V 4.9134 8.0728 120.8774 59.1663 34.4272 175.6879 122 A 4.1676 8.6477 126.7101 51.5444 18.9499 178.5100 123 A 4.0049 8.5404 122.3103 55.2139 18.2735 179.1886 124 S 4.2230 7.8836 108.3020 59.1109 63.4463 175.0913 125 D 4.7800 8.3258 120.8989 54.5136 40.3352 174.5352 126 E 4.1464 7.4057 116.2825 55.5143 30.2933 176.4310 127 V 4.1007 8.0079 122.0222 63.3780 32.1273 175.9742 128 E 4.8698 8.9605 122.2906 55.8896 31.3432 174.9339 129 A 4.9289 7.9092 120.7429 51.0561 23.2473 175.0093 130 G 4.1794 9.2490 105.6246 44.5061 0.0000 171.7996 131 I 5.0662 8.5763 123.1425 58.9302 40.8013 174.3546 132 K 4.4299 8.8802 127.7377 54.3179 35.0119 174.5928 133 F 4.9872 9.1372 126.6479 59.3813 40.8052 175.1391 134 G 4.1314 9.0790 110.4323 44.9153 0.0000 172.3209 135 D 4.3407 8.2892 116.9684 54.2091 41.4311 177.5147 136 G 3.6900 7.9508 109.2844 45.1696 0.0000 173.2900 137 D 4.6596 8.1092 120.1722 51.8327 42.5556 177.4160 138 V 3.7743 8.1877 118.2011 65.0136 31.0630 177.8762 139 F 4.4680 7.7521 116.6400 59.6137 38.8500 176.7030 140 T 4.4343 7.7897 113.4625 63.5971 69.5293 174.8795 141 A 4.4851 6.8152 120.3052 51.2755 20.0279 177.9126 142 V 3.9182 8.5062 120.0578 62.5243 32.5091 174.5551 143 N 5.3803 8.7713 126.2580 51.9493 40.5545 174.3923 144 L 5.2528 9.0959 123.3016 52.7873 46.1288 174.9875 145 L 5.2281 8.9823 123.7426 53.6677 44.8629 174.4610 146 H 5.2412 9.6281 127.2695 54.5264 31.7120 172.8715 147 S 4.7271 8.5263 120.5282 56.5343 66.7458 174.3766 148 G 3.9853 9.4495 106.6547 45.8975 0.0000 173.7930 149 Q 3.4128 8.0877 114.3537 56.4590 26.3171 174.2439 150 T 4.5587 7.8317 104.0030 61.3271 71.3599 173.0223 151 H 4.5565 7.4184 121.8106 54.4106 33.6597 171.4590 152 F 5.4550 8.2886 122.4073 55.9585 41.3238 174.3573 153 D 5.1310 9.5200 121.5515 52.4808 45.6022 174.4685 154 A 4.8836 8.5500 121.2482 51.0600 21.0279 176.3927 155 L 5.3434 8.4195 118.9821 53.0111 45.4470 176.4128 156 R 4.8981 9.1333 121.9283 54.0295 33.3248 175.3815 157 I 3.9630 8.8569 124.2928 61.6581 37.8527 176.0030 158 L 4.1163 8.9697 127.0748 54.4572 42.4125 176.4861 159 P 4.2557 0.0000 0.0000 65.8778 31.4878 178.7598 160 Q 3.8326 7.8116 114.3539 58.5224 28.4536 176.8673 161 F 4.7520 7.4796 114.5551 56.7905 39.5337 175.6206 162 E 4.2413 8.0300 126.1817 56.8168 29.6638 174.1040 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 D 8.22 4.62 0.00 2.77 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 3 F 8.15 3.99 0.00 3.00 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 4 L 8.31 3.22 0.00 1.48 1.02 0.41 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.49 4.38 0.00 1.93 2.03 0.00 3.16 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 6 S 7.41 4.53 0.00 3.89 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 7 L 7.36 3.53 0.00 1.40 1.04 1.13 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.02 4.65 0.00 2.57 2.49 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 9 W 8.51 4.81 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 9.29 4.49 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 1.23 0.00 0.00 11 Q 8.77 3.98 0.00 1.64 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.08 0.00 0.00 0.00 0.00 0.00 1.94 1.41 0.00 12 V 8.16 3.74 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 0.67 0.00 0.00 0.88 0.00 0.00 13 I 7.09 4.45 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.86 0.00 0.00 14 A 8.49 4.07 1.21 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 0.00 0.00 15 G 9.52 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 0.00 0.00 0.00 16 Q 8.15 4.98 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 17 Y 8.85 5.27 0.00 2.56 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 18 V 9.12 5.32 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 0.74 0.00 0.00 0.97 0.00 0.00 19 S 8.56 4.76 0.00 3.21 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 20 N 7.95 5.24 0.00 2.80 2.84 0.00 0.00 6.10 7.75 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 21 P 0.00 4.63 0.00 2.61 2.13 0.00 3.84 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.18 0.00 22 R 8.45 4.93 0.00 1.72 1.86 0.00 3.31 0.00 0.00 3.95 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 23 F 7.98 4.71 0.00 3.11 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 24 N 8.65 4.79 0.00 2.72 2.81 0.00 0.00 6.78 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 25 I 8.79 3.97 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 1.02 0.00 0.00 26 S 7.95 4.99 0.00 4.01 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 27 D 8.08 4.32 0.00 2.68 1.79 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 28 Y 7.98 4.67 0.00 2.37 2.23 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 29 F 8.94 5.50 0.00 2.97 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 30 E 9.58 4.74 0.00 2.09 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 2.33 2.34 0.00 31 I 8.41 4.66 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 1.29 0.79 0.94 0.00 0.00 32 V 9.00 4.23 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 1.04 0.00 0.00 0.98 0.00 0.00 33 R 8.61 4.59 0.00 1.74 1.86 0.00 3.36 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 1.65 1.61 0.00 34 Q 10.00 4.70 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 35 P 0.00 4.37 0.00 1.98 1.94 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 36 G 8.32 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 0.00 0.00 0.00 37 D 8.03 4.86 0.00 2.75 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 38 G 8.41 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 0.00 0.00 0.00 0.00 39 N 8.09 5.01 0.00 2.35 1.92 0.00 0.00 6.57 7.60 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 40 C 7.83 4.14 0.00 3.19 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 41 F 8.06 3.78 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.57 3.99 0.00 3.24 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 43 H 8.38 4.26 0.00 3.29 3.31 0.00 5.62 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 44 S 8.06 4.13 0.00 3.82 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 45 I 7.32 3.40 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.73 0.84 0.00 0.00 46 A 7.89 4.05 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 47 E 8.20 4.01 0.00 2.07 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 0.00 2.35 2.44 0.00 48 L 7.41 4.53 0.00 1.62 1.72 1.01 0.93 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 49 T 7.55 4.51 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 *51 P 0.00 4.09 0.00 2.25 2.16 0.00 3.96 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 52 N 8.84 4.15 0.00 2.88 2.91 0.00 0.00 6.92 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 53 K 7.89 4.08 0.00 1.75 1.75 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.53 7.81 54 T 9.03 4.76 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 1.25 0.00 0.00 55 D 8.64 4.68 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 56 H 7.81 4.85 0.00 3.09 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.08 0.00 4.02 3.99 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 58 Y 8.08 4.23 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 6.50 3.59 0.00 2.64 3.00 0.00 5.62 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 60 Y 7.32 4.47 0.00 3.11 2.93 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 61 I 7.81 3.82 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.08 1.16 0.00 0.00 62 K 8.08 3.68 0.00 1.76 1.58 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 1.28 7.81 63 R 7.97 3.93 0.00 2.29 2.03 0.00 3.21 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 64 L 8.38 4.12 0.00 1.98 1.78 0.97 0.61 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 65 T 8.32 4.06 4.52 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 1.47 0.00 0.00 66 E 8.55 3.92 0.00 2.00 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 2.32 2.33 0.00 67 S 8.12 4.06 0.00 3.96 4.06 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 68 A 8.66 4.14 1.57 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 69 A 8.53 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.82 3.93 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 71 K 7.41 3.90 0.00 1.02 0.74 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.25 7.81 72 Y 7.90 4.76 0.00 3.08 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 Y 8.39 4.05 0.00 2.93 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 74 Q 8.19 4.03 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 75 E 7.72 4.53 0.00 2.02 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 2.23 2.25 0.00 76 E 7.81 4.26 0.00 1.78 1.75 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 2.49 2.39 0.00 77 P 0.00 4.18 0.00 2.15 2.07 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 78 E 8.13 3.93 0.00 1.99 1.90 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 2.38 2.32 0.00 79 A 7.60 3.90 0.39 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 80 R 7.68 3.81 0.00 1.92 1.98 0.00 3.11 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 81 L 7.59 4.13 0.00 1.79 1.74 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.63 3.83 2.31 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 1.08 0.00 0.00 1.04 0.00 0.00 83 G 8.17 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 84 L 7.33 4.70 0.00 1.80 1.69 1.01 0.86 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 85 S 8.48 4.40 0.00 4.09 4.06 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 86 L 8.56 3.58 0.00 1.87 1.75 0.90 0.93 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 87 E 8.10 3.95 0.00 2.01 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 0.00 2.40 2.34 0.00 88 D 7.98 4.29 0.00 2.73 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 89 Y 7.79 3.98 0.00 2.62 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 90 L 7.77 3.78 0.00 1.73 1.65 0.92 1.18 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 91 K 7.57 3.93 0.00 1.72 1.80 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 92 R 7.75 4.06 0.00 1.87 1.85 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 *94 L 7.93 4.23 0.00 1.68 1.69 0.93 0.86 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 95 S 7.47 4.22 0.00 4.13 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 96 D 8.49 4.44 0.00 2.70 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 97 N 8.87 4.75 0.00 3.12 3.12 0.00 0.00 6.25 7.54 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 98 E 7.94 4.23 0.00 1.94 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 2.51 2.41 0.00 99 W 8.44 4.70 0.00 3.30 3.13 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 0.00 109 A 8.20 4.16 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 0.00 110 K 7.54 3.79 0.00 0.97 1.09 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.25 7.81 111 E 7.65 4.31 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 *113 G 7.88 3.81 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 0.00 114 I 7.74 4.61 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 1.30 0.77 0.92 0.00 0.00 115 T 8.17 4.77 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 116 I 8.66 4.99 1.98 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 1.20 0.70 1.00 0.00 0.00 117 I 8.76 4.67 1.87 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 0.74 0.63 -0.07 0.00 0.00 118 I 8.65 4.80 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.21 0.00 0.00 119 W 9.31 5.23 0.00 3.33 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.86 5.17 4.36 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 1.29 0.00 0.00 121 V 8.07 4.91 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 0.70 0.00 0.00 0.89 0.00 0.00 122 A 8.65 4.17 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 0.00 123 A 8.54 4.00 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 0.00 124 S 7.88 4.22 0.00 3.97 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 0.00 125 D 8.33 4.78 0.00 2.81 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 0.00 126 E 7.41 4.15 0.00 2.26 2.02 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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 0.00 135 D 8.29 4.34 0.00 2.64 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 0.00 136 G 7.95 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 0.00 0.00 0.00 137 D 8.11 4.66 0.00 3.06 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 0.00 138 V 8.19 3.77 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 1.26 0.00 0.00 139 F 7.75 4.47 0.00 3.20 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 0.00 140 T 7.79 4.43 4.60 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 1.21 0.00 0.00 141 A 6.82 4.49 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 0.00 142 V 8.51 3.92 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 0.96 0.00 0.00 0.94 0.00 0.00 143 N 8.77 5.38 0.00 2.81 2.81 0.00 0.00 6.84 6.74 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 0.00 144 L 9.10 5.25 0.00 1.81 1.73 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.98 5.23 0.00 1.77 1.56 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.63 5.24 0.00 3.19 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.53 4.73 0.00 3.79 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 0.00 148 G 9.45 3.99 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 0.00 0.00 0.00 149 Q 8.09 3.41 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 150 T 7.83 4.56 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 1.42 0.00 0.00 151 H 7.42 4.56 0.00 3.01 3.04 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.29 5.46 0.00 2.93 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 0.00 153 D 9.52 5.13 0.00 2.55 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 0.00 154 A 8.55 4.88 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 0.00 155 L 8.42 5.34 0.00 1.52 1.44 0.53 0.78 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 0.00 156 R 9.13 4.90 0.00 1.82 1.91 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 157 I 8.86 3.96 2.02 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 1.49 0.66 1.04 0.00 0.00 158 L 8.97 4.12 0.00 1.76 1.74 0.99 1.13 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 0.00 159 P 0.00 4.26 0.00 2.12 2.11 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 160 Q 7.81 3.83 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 161 F 7.48 4.75 0.00 3.19 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 0.00 162 E 8.03 4.24 0.00 2.18 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 2.33 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.