NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2094 8.0249 120.7986 60.6742 39.8430 175.4488 4 E 4.3545 7.8281 118.3603 52.1612 30.9384 173.7110 5 P 4.4454 0.0000 0.0000 62.8546 33.4766 175.1089 6 V 4.5140 8.5797 121.7426 61.6436 33.5238 174.4800 7 F 4.8899 9.5310 127.4304 56.5189 40.7266 174.7428 8 I 4.8371 9.1076 125.1283 59.5538 39.9435 174.5796 9 L 4.8902 9.0019 128.8273 53.6847 43.1540 176.0091 10 V 4.3442 8.8307 125.3213 61.4063 32.5538 176.0476 11 R 4.2735 8.9681 129.3153 55.1536 28.4147 175.1221 12 P 4.4064 0.0000 0.0000 63.4132 32.1137 176.6179 13 Q 4.5368 8.5991 118.5137 56.3445 29.2019 176.5979 *15 G 4.1250 7.9634 109.3996 45.4859 0.0000 175.3416 16 E 3.9535 8.1590 118.2874 59.4540 29.3407 178.9414 17 N 4.3409 8.1616 116.8661 55.9682 38.6601 177.2882 18 I 3.8349 7.7696 120.9208 64.4270 37.3681 178.5303 19 G 3.6581 8.4318 106.5155 47.7796 0.0000 175.5826 20 A 4.0084 8.3616 123.1233 54.6870 18.1459 179.4801 21 A 3.8500 8.1204 118.5787 55.2788 18.5317 179.3558 22 A 4.0173 7.7605 117.8394 55.3818 18.7871 179.6649 23 R 4.0196 8.0206 116.2971 59.2454 29.2983 179.6577 24 A 3.8740 7.7984 117.0048 53.0981 18.2744 178.7433 *26 L 4.4883 7.9110 124.2702 56.3907 43.9451 178.4364 27 N 3.9785 7.9395 115.3878 55.8563 38.4496 175.6086 28 F 4.7324 7.4884 114.5776 57.0266 39.1328 176.1392 29 G 3.9457 8.2564 107.7804 46.2951 0.0000 173.8886 30 L 4.7912 7.8383 118.3237 53.0734 43.2616 176.8128 31 G 4.0153 9.2132 108.2072 45.0353 0.0000 172.3466 32 R 4.5509 7.8675 120.0194 54.5149 31.7816 174.8759 33 L 5.3963 8.4855 125.7766 53.2677 45.7927 175.2380 34 R 5.2136 9.1323 122.8875 54.5132 34.8708 174.1645 35 I 4.7550 8.8623 122.2634 59.4601 40.6840 174.5082 36 V 4.5404 8.8356 127.4771 61.3187 33.5298 175.1768 37 D 4.3492 8.8064 129.9110 54.6085 40.0018 171.3778 38 P 4.6418 0.0000 0.0000 62.6177 32.7149 177.1084 39 R 4.0117 8.8097 121.4575 59.5928 30.0711 177.2562 40 D 4.6633 8.2018 114.5411 53.6564 40.9084 177.5493 41 G 4.0187 8.8468 109.9411 45.2101 0.0000 172.8475 42 W 4.5480 8.0852 124.3738 55.6762 33.3046 172.5631 43 P 2.9700 0.0000 0.0000 62.0248 31.5281 176.1116 44 N 4.6618 7.0257 116.9456 50.8093 41.1357 173.0924 45 P 4.1960 0.0000 0.0000 65.3471 31.2255 178.8096 46 K 3.9378 7.9007 116.4050 59.1218 31.9656 178.8729 47 A 4.3490 8.0007 119.8195 55.1861 18.6457 179.2022 48 V 3.6690 7.6228 116.5311 66.0702 31.2859 178.4013 49 A 4.0921 7.6935 114.6901 53.3681 18.1459 177.7658 *51 A 4.4515 7.9222 124.9593 51.7300 22.1426 180.6875 52 S 3.5451 7.8503 108.2733 59.1785 63.0053 175.7876 53 G 3.6807 9.2196 107.2663 47.3860 0.0000 173.4250 54 A 4.5510 8.1759 123.0370 51.9470 19.3841 178.8542 55 G 3.8077 8.1108 107.5832 49.0123 0.0000 176.4736 56 R 4.1998 8.0631 119.4063 59.1189 29.8068 178.8375 57 L 4.0726 7.7800 118.2672 57.7786 41.7562 179.2567 58 L 4.4421 7.8214 118.4471 57.9601 41.5339 178.8274 59 D 4.4312 7.9596 117.8120 57.3336 40.8332 177.7872 60 H 4.8440 7.8502 112.9301 54.4528 29.2340 174.7387 61 A 5.0373 6.8766 124.4213 50.8373 18.9477 178.3351 62 G 3.7568 8.9961 110.6720 46.3471 0.0000 171.7934 63 L 5.0990 8.1667 126.0532 53.2166 43.6928 175.4176 64 F 4.9310 9.1194 124.6114 55.1188 42.5507 174.4519 65 P 4.3776 0.0000 0.0000 64.9812 32.2627 176.6110 66 T 4.7345 7.5184 108.0239 58.9088 73.2016 174.7537 67 V 3.4723 8.2849 120.6697 66.0029 31.4089 177.7331 68 A 3.9553 7.9815 118.8963 55.5607 18.3048 179.0123 69 E 4.1007 8.2176 116.5204 59.5298 29.3446 179.4774 70 A 2.5800 7.6331 119.4865 53.2632 18.5405 178.5492 71 I 4.1410 7.1382 109.4753 60.5445 37.8755 177.2696 72 R 3.7931 7.5427 122.4471 59.6110 29.9084 176.7195 73 D 4.7379 7.9404 113.7599 53.3059 39.8250 175.5483 74 C 4.5431 7.7392 118.0134 59.3069 29.2140 173.5885 75 D 4.6397 8.7011 123.6484 56.7865 41.4774 176.4259 76 Y 4.6346 7.7095 119.0236 56.0813 42.6442 173.5627 77 V 4.6821 8.6354 126.4007 61.0982 34.6722 174.0971 78 F 5.1976 9.1013 126.6060 56.1917 41.2495 174.5477 79 A 4.9281 8.8776 124.9437 50.1721 21.2753 175.6604 80 T 4.7051 8.4856 114.4477 61.6638 70.0441 174.1535 81 T 4.6192 8.8055 113.6681 60.0174 72.2301 174.8433 82 A 3.6791 8.4922 125.5518 54.4343 18.5833 177.9837 83 R 4.6433 7.2994 111.8403 54.1473 34.1354 176.3228 84 G 3.8585 8.2875 109.1626 44.8829 0.0000 173.2879 85 R 3.9742 7.9265 123.7535 56.4071 30.9156 177.3620 86 E 4.4049 8.4202 121.9002 55.3188 28.2797 175.4692 87 L 4.7008 7.7597 121.8768 54.2901 43.4245 178.1389 88 T 3.4763 8.3108 107.6799 61.4871 67.4479 171.4789 89 K 4.6509 7.4529 120.8675 54.2149 34.1627 174.6009 90 P 4.5254 0.0000 0.0000 63.1924 32.5751 175.1225 91 V 5.2318 8.2658 119.6610 60.1889 35.2660 174.4322 *93 T 4.4729 8.1119 112.4262 60.6963 69.7594 173.1303 94 P 4.1762 0.0000 0.0000 65.7253 31.4780 177.8406 95 E 4.2546 8.0139 117.0930 58.8841 29.9988 178.1641 96 R 3.9876 8.0445 117.0766 59.1167 30.5439 179.0467 97 A 3.8277 8.4179 117.5179 53.0966 17.9979 178.6823 *99 A 4.1024 8.0820 122.9726 53.6603 20.5736 179.4837 100 H 4.2835 8.3641 115.1631 59.2384 29.7660 177.4913 101 G 3.9933 8.7143 107.9711 48.2749 0.0000 175.8163 102 R 3.7494 7.9136 120.0840 58.5531 29.8569 178.8523 103 A 3.9291 7.9491 120.6080 55.0767 18.4201 179.6240 104 L 3.9214 8.0684 117.9551 58.2447 41.7200 179.9904 105 T 4.5617 7.8200 111.3652 64.3365 68.5399 176.6262 106 G 3.7804 8.2293 107.9067 47.3333 0.0000 174.3382 107 E 4.4963 7.6149 118.3124 55.7267 29.5852 176.9113 108 G 3.9125 7.9301 106.7818 46.1618 0.0000 173.9165 109 R 4.7045 7.8587 118.3083 54.8066 32.4683 175.6186 110 R 4.6804 9.5104 121.6809 55.1164 31.9801 175.5225 111 V 4.8493 8.5168 123.6037 61.0369 34.3525 174.3494 112 G 4.4964 9.0121 114.3888 44.4679 0.0000 171.9829 113 I 4.9886 8.4150 121.9482 59.2098 40.8431 174.5533 114 L 4.8382 8.9198 127.8137 53.7819 43.4573 175.8369 115 F 5.0353 8.5926 121.3296 54.5729 42.6426 175.4894 116 G 4.3530 8.7966 110.7679 44.1346 0.0000 171.3761 117 P 4.5724 0.0000 0.0000 62.2765 31.9210 177.0151 118 E 3.9504 8.9269 121.3867 59.3596 29.6111 178.1896 119 R 4.3773 7.9287 115.6637 57.1741 30.8273 176.9822 120 T 4.3363 7.7116 105.2422 59.8625 70.6760 175.0636 121 G 3.9276 8.2525 111.1802 44.0668 0.0000 172.9554 122 L 4.1411 8.1112 118.0482 54.5741 42.3401 177.9333 123 E 4.2786 9.1593 121.9549 55.8548 31.5412 177.9456 124 N 4.2981 8.7576 119.0839 56.7559 38.3769 177.5169 125 E 3.9405 8.0581 117.4187 59.2277 29.9914 178.6304 126 D 4.4168 7.8758 119.6752 57.3190 40.9662 178.6089 127 V 3.5344 7.8660 118.4951 65.7807 31.2396 177.7072 128 A 3.9368 8.0078 120.0439 54.8812 18.1863 178.8582 129 L 4.1275 7.5628 115.2962 55.0794 42.1460 176.9638 130 A 4.3216 7.2356 122.1126 51.0432 20.0646 176.8421 131 N 4.3958 8.2488 117.1065 55.5300 39.1929 175.9860 132 A 4.7518 7.2741 117.8296 50.6572 22.8061 175.3278 133 I 4.7339 8.8176 121.2754 60.2210 39.5112 175.0552 134 V 4.5374 8.7614 125.6586 61.4274 33.9716 174.4283 135 T 5.1029 8.1834 122.7759 60.3112 72.0315 173.5843 136 V 3.8070 8.6096 127.1369 61.8224 32.2244 173.5453 137 P 4.4110 0.0000 0.0000 62.7519 31.3957 175.6919 138 V 4.4962 8.0222 122.0931 60.0094 34.9749 174.1221 139 N 4.2648 8.9093 121.8771 53.6548 38.8530 173.8122 140 P 4.3519 0.0000 0.0000 65.6125 31.5772 177.3786 141 E 4.2864 8.3221 115.7253 57.5376 29.8075 176.6048 142 F 4.7102 8.0643 121.3472 56.9401 42.3041 172.9166 143 F 4.7289 8.1825 129.8313 56.5290 41.8369 174.4587 144 S 4.1492 7.3615 118.9724 57.8052 64.1846 173.5849 145 L 3.9763 5.9280 121.6582 54.9787 41.7014 177.4437 146 N 4.7479 8.4058 122.8080 51.4135 40.3344 175.8561 147 L 3.9575 9.1145 121.2266 58.5147 42.1233 178.7231 148 A 3.9523 7.9929 120.1196 55.2773 18.1979 179.5172 149 Q 3.9793 9.0210 116.9986 59.0222 28.9208 178.2201 150 C 4.1812 8.2758 119.8120 62.6449 31.7001 175.7443 151 V 3.4782 7.8814 119.7887 65.8970 31.0320 177.5715 152 L 4.1277 8.4150 120.2771 58.3186 41.8503 179.0008 153 L 4.1102 8.3055 118.9997 57.8866 41.5128 179.5550 154 L 4.0952 8.1622 118.3644 57.7062 41.6025 179.4797 155 A 4.2734 8.4931 120.8118 55.2784 18.3172 178.7914 156 Y 2.6186 8.0585 118.4113 60.6856 38.8535 178.4280 157 E 3.6446 8.4665 119.5349 58.9794 29.3034 179.0281 158 W 4.1805 8.1914 127.6840 60.5680 30.7867 177.6672 159 R 4.0717 7.7540 117.3089 59.0274 29.6669 178.0236 160 R 3.7173 7.3536 117.2398 59.2513 30.1727 176.4311 161 Q 3.5288 7.1779 118.7174 56.3596 29.5070 173.6088 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 3 I 8.02 4.21 1.93 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 1.49 1.47 0.97 0.00 0.00 4 E 7.83 4.35 0.00 2.07 1.78 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 2.29 2.42 0.00 5 P 0.00 4.45 0.00 1.65 1.50 0.00 3.14 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 6 V 8.58 4.51 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 1.05 0.00 0.00 0.93 0.00 0.00 7 F 9.53 4.89 0.00 3.01 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 8 I 9.11 4.84 1.94 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 1.14 0.87 0.81 0.00 0.00 9 L 9.00 4.89 0.00 1.55 1.61 0.90 0.49 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 10 V 8.83 4.34 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 0.75 0.00 0.00 0.92 0.00 0.00 11 R 8.97 4.27 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.13 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 12 P 0.00 4.41 0.00 2.25 2.20 0.00 3.83 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 2.08 1.95 0.00 13 Q 8.60 4.54 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 *15 G 7.96 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 0.00 0.00 0.00 0.00 16 E 8.16 3.95 0.00 2.18 2.24 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 2.38 2.36 0.00 17 N 8.16 4.34 0.00 2.79 2.93 0.00 0.00 7.16 7.21 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 18 I 7.77 3.83 2.21 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 1.11 0.00 0.00 19 G 8.43 3.66 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 0.00 0.00 0.00 20 A 8.36 4.01 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 21 A 8.12 3.85 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 22 A 7.76 4.02 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 23 R 8.02 4.02 0.00 2.01 1.96 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 24 A 7.80 3.87 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 *26 L 7.91 4.49 0.00 1.78 1.66 0.90 0.61 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 27 N 7.94 3.98 0.00 2.71 2.08 0.00 0.00 6.91 6.76 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 28 F 7.49 4.73 0.00 3.34 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 29 G 8.26 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 30 L 7.84 4.79 0.00 1.41 1.35 0.95 0.79 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 31 G 9.21 4.02 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 0.00 0.00 0.00 32 R 7.87 4.55 0.00 1.98 1.92 0.00 3.10 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 33 L 8.49 5.40 0.00 1.73 1.49 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.13 5.21 0.00 1.66 1.70 0.00 2.86 0.00 0.00 2.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 35 I 8.86 4.75 1.22 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.50 0.00 0.00 36 V 8.84 4.54 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 1.04 0.00 0.00 0.88 0.00 0.00 37 D 8.81 4.35 0.00 3.08 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.64 0.00 2.33 2.04 0.00 3.83 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 2.08 1.92 0.00 39 R 8.81 4.01 0.00 1.82 2.04 0.00 3.44 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 40 D 8.20 4.66 0.00 2.78 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 41 G 8.85 4.02 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 0.00 0.00 0.00 42 W 8.09 4.55 0.00 3.34 2.94 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 43 P 0.00 2.97 0.00 1.74 1.43 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 44 N 7.03 4.66 0.00 2.67 2.46 0.00 0.00 6.90 7.71 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 45 P 0.00 4.20 0.00 2.14 2.01 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 46 K 7.90 3.94 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 47 A 8.00 4.35 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.62 3.67 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 0.94 0.00 0.00 0.78 0.00 0.00 49 A 7.69 4.09 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 *51 A 7.92 4.45 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.85 3.55 0.00 3.95 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 53 G 9.22 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.18 4.55 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 55 G 8.11 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 56 R 8.06 4.20 0.00 1.90 2.08 0.00 3.16 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 57 L 7.78 4.07 0.00 1.83 1.76 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.82 4.44 0.00 1.90 1.92 0.99 1.35 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 59 D 7.96 4.43 0.00 2.70 2.57 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 60 H 7.85 4.84 0.00 3.22 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 6.88 5.04 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 62 G 9.00 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 63 L 8.17 5.10 0.00 1.44 1.45 0.69 0.76 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 64 F 9.12 4.93 0.00 2.89 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 65 P 0.00 4.38 0.00 2.20 2.19 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 66 T 7.52 4.73 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 1.23 0.00 0.00 67 V 8.28 3.47 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 0.96 0.00 0.00 0.90 0.00 0.00 68 A 7.98 3.96 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 69 E 8.22 4.10 0.00 2.21 2.33 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 2.40 2.38 0.00 70 A 7.63 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.14 4.14 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.81 0.00 0.00 72 R 7.54 3.79 0.00 1.88 2.13 0.00 3.30 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 73 D 7.94 4.74 0.00 2.84 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 74 C 7.74 4.54 0.00 3.01 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 75 D 8.70 4.64 0.00 2.70 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 76 Y 7.71 4.63 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.64 4.68 1.83 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 0.80 0.00 0.00 0.79 0.00 0.00 78 F 9.10 5.20 0.00 2.91 2.82 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 79 A 8.88 4.93 1.13 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 0.00 0.00 80 T 8.49 4.71 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 0.64 0.00 0.00 81 T 8.81 4.62 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 1.16 0.00 0.00 82 A 8.49 3.68 0.27 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 83 R 7.30 4.64 0.00 1.65 1.72 0.00 3.09 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.00 84 G 8.29 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 85 R 7.93 3.97 0.00 1.78 1.84 0.00 3.15 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 86 E 8.42 4.40 0.00 1.93 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 2.25 2.30 0.00 87 L 7.76 4.70 0.00 1.54 1.56 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.31 3.48 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 1.19 0.00 0.00 89 K 7.45 4.65 0.00 1.63 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.30 7.81 90 P 0.00 4.53 0.00 2.16 2.20 0.00 3.79 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 2.11 1.99 0.00 91 V 8.27 5.23 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 0.99 0.00 0.00 0.93 0.00 0.00 *93 T 8.11 4.47 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 94 P 0.00 4.18 0.00 2.09 2.18 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 95 E 8.01 4.25 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 96 R 8.04 3.99 0.00 1.91 1.97 0.00 3.34 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 97 A 8.42 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 A 8.08 4.10 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 0.00 100 H 8.36 4.28 0.00 3.28 3.62 0.00 5.80 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 0.00 101 G 8.71 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 0.00 102 R 7.91 3.75 0.00 1.72 1.68 0.00 2.61 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 103 A 7.95 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 0.00 104 L 8.07 3.92 0.00 1.80 1.68 0.17 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.82 4.56 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 106 G 8.23 3.78 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 0.00 0.00 0.00 107 E 7.61 4.50 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 2.30 2.47 0.00 108 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.86 4.70 0.00 1.93 1.87 0.00 3.13 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 110 R 9.51 4.68 0.00 1.72 1.85 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 111 V 8.52 4.85 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 1.32 0.00 0.00 1.05 0.00 0.00 112 G 9.01 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 4.99 1.44 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.25 0.00 0.00 114 L 8.92 4.84 0.00 1.40 1.48 0.83 0.72 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 0.00 115 F 8.59 5.04 0.00 2.96 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 0.00 116 G 8.80 4.35 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 0.00 0.00 0.00 117 P 0.00 4.57 0.00 2.26 2.41 0.00 3.83 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 1.98 0.00 118 E 8.93 3.95 0.00 1.99 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 2.33 2.46 0.00 119 R 7.93 4.38 0.00 1.86 1.99 0.00 3.22 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 120 T 7.71 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 0.00 121 G 8.25 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.11 4.14 0.00 1.61 1.58 0.92 0.86 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 0.00 123 E 9.16 4.28 0.00 2.03 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 2.32 2.48 0.00 124 N 8.76 4.30 0.00 2.70 2.86 0.00 0.00 6.65 7.66 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 0.00 125 E 8.06 3.94 0.00 2.09 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 2.26 2.33 0.00 126 D 7.88 4.42 0.00 2.79 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 0.00 127 V 7.87 3.53 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 1.04 0.00 0.00 0.94 0.00 0.00 128 A 8.01 3.94 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 0.00 129 L 7.56 4.13 0.00 1.69 1.65 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.24 4.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.25 4.40 0.00 1.44 1.98 0.00 0.00 6.70 7.07 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 0.00 132 A 7.27 4.75 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 0.00 133 I 8.82 4.73 1.98 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 1.08 0.79 0.90 0.00 0.00 134 V 8.76 4.54 2.00 0.00 0.00 0.00 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 0.82 0.00 0.00 135 T 8.18 5.10 4.24 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 1.21 0.00 0.00 136 V 8.61 3.81 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 0.89 0.00 0.00 1.03 0.00 0.00 137 P 0.00 4.41 0.00 2.25 2.10 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 138 V 8.02 4.50 2.26 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 1.06 0.00 0.00 1.13 0.00 0.00 139 N 8.91 4.26 0.00 2.87 3.14 0.00 0.00 6.95 7.71 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 0.00 140 P 0.00 4.35 0.00 2.12 2.13 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 141 E 8.32 4.29 0.00 2.19 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 2.38 2.29 0.00 142 F 8.06 4.71 0.00 2.97 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 0.00 143 F 8.18 4.73 0.00 2.90 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 0.00 144 S 7.36 4.15 0.00 3.77 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 0.00 145 L 5.93 3.98 0.00 1.33 1.56 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.41 4.75 0.00 3.23 2.95 0.00 0.00 6.18 6.54 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 0.00 147 L 9.11 3.96 0.00 1.78 1.83 1.03 1.07 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 0.00 148 A 7.99 3.95 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 0.00 149 Q 9.02 3.98 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 150 C 8.28 4.18 0.00 3.25 3.30 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 0.00 151 V 7.88 3.48 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 0.06 0.00 0.00 152 L 8.42 4.13 0.00 1.95 1.90 1.20 0.70 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 0.00 153 L 8.31 4.11 0.00 1.97 1.80 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.16 4.10 0.00 2.08 1.91 0.82 0.68 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 0.00 155 A 8.49 4.27 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 0.00 156 Y 8.06 2.62 0.00 2.34 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 E 8.47 3.64 0.00 2.28 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 2.37 2.58 0.00 158 W 8.19 4.18 0.00 3.53 3.37 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 0.00 159 R 7.75 4.07 0.00 2.07 1.93 0.00 3.52 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 160 R 7.35 3.72 0.00 1.59 1.74 0.00 3.38 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.00 161 Q 7.18 3.53 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 1.93 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.