NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3277 8.3349 115.4138 58.1550 63.0612 171.6872 6 K 4.1951 8.1978 126.6507 53.4042 31.8530 174.3329 7 L 4.4647 8.5557 126.1753 54.0498 43.0857 176.5315 8 A 4.4294 8.6334 123.7447 52.0189 18.7183 176.4794 9 V 4.7258 8.9475 121.5609 62.4197 34.4291 175.1710 10 A 4.7303 7.8052 126.6336 50.6736 21.7288 176.0725 11 V 3.9172 8.3932 122.7145 63.4053 32.8238 175.1654 12 V 4.9194 8.5638 123.9536 62.0809 35.5252 174.1006 13 C 4.5750 8.2594 118.6387 58.3011 32.6374 172.5795 14 S 4.3408 9.2265 110.8357 59.0928 62.0798 176.2059 15 S 4.8758 7.9046 113.5594 57.5390 62.9575 174.5465 16 N 4.3330 8.0862 111.9204 52.9206 37.6905 172.9494 *18 N 4.6521 8.3056 118.9481 52.8317 40.2636 175.8450 19 R 3.9463 5.8400 114.6143 59.4500 31.0942 178.1758 20 S 4.3315 7.8614 111.6898 58.9220 63.2565 174.6004 *22 E 4.3478 8.2629 118.8914 56.6389 31.2654 176.2200 23 A 4.2539 7.7426 118.7399 52.3740 23.4987 178.7665 24 H 4.1489 7.9767 113.9846 59.2307 29.6433 176.9951 25 N 4.3545 8.2483 118.6211 56.7526 38.8648 176.5843 26 F 4.0018 7.9196 117.9702 60.7535 39.2652 176.5346 27 L 4.5276 8.2091 117.8633 56.0458 41.8474 179.8899 28 A 3.9355 8.5693 123.2243 55.2643 19.3889 179.0925 29 K 4.2067 8.1440 113.7736 59.6708 32.4444 179.9374 30 K 4.2255 8.0277 118.8454 56.1907 30.4374 177.3865 31 G 3.7940 7.0396 112.3145 44.8689 0.0000 174.4757 32 F 3.6589 6.2127 115.8496 52.9022 37.5602 176.0687 33 N 4.9285 8.7274 124.8701 52.2184 38.3082 173.7189 34 V 5.6208 8.0167 122.8195 58.8062 35.2716 174.5123 35 R 4.9932 8.2632 118.6147 54.6842 35.0910 174.0576 36 S 5.1486 8.1387 113.7985 57.1181 65.8465 172.8959 37 Y 5.1037 8.5687 117.1286 56.8360 42.9899 174.0312 38 G 4.8717 8.9045 107.3985 45.0216 0.0000 173.5824 39 T 4.8650 8.6269 108.6291 61.2011 70.6459 174.8080 40 G 3.9090 8.7960 109.6098 46.3909 0.0000 174.1633 41 E 4.2395 9.1359 119.7330 58.9776 29.7255 177.5627 42 R 5.0778 7.6930 114.7294 53.9119 34.1096 175.3825 43 V 3.5585 8.3521 121.4365 62.6948 32.0412 174.9343 44 K 5.1400 8.9933 128.0435 54.3173 35.3837 175.4564 45 L 4.6459 8.4835 120.0989 53.7304 43.6819 171.8265 46 P 3.9792 0.0000 0.0000 64.2360 30.6904 175.0728 47 G 4.0363 9.3798 114.7612 45.3584 0.0000 173.5714 *49 A 3.7412 7.4842 119.5471 50.5510 20.0780 177.4557 50 F 4.5256 7.1345 110.9795 58.0393 37.5085 175.6216 51 D 4.7697 8.1883 118.4848 53.1340 41.8556 175.7389 52 K 4.3957 7.6941 120.3162 54.1971 31.8523 173.9020 53 P 5.0586 0.0000 0.0000 62.4277 32.3352 175.3745 54 N 4.9490 8.4582 113.1556 51.5045 42.4255 173.8843 55 V 4.4876 7.6022 121.1798 61.3963 34.8016 174.2180 56 Y 4.9603 8.1567 123.5106 56.4426 42.7531 174.7242 57 E 4.4905 8.9144 121.1283 55.8849 30.4152 177.6909 58 F 4.3095 8.6507 116.5203 58.5035 39.1607 177.6494 59 G 3.6252 8.6777 111.3386 48.7151 0.0000 174.6444 60 T 3.7289 8.2732 109.8499 60.2769 69.5994 174.1165 61 K 4.2416 8.3336 123.2733 56.0250 34.1040 177.9735 62 Y 3.9614 7.9589 121.2257 61.3857 37.6117 178.9028 63 E 4.0964 8.3652 119.3680 58.9903 29.7242 177.8795 64 D 4.5705 7.8375 117.4838 56.6623 41.4879 178.1349 65 I 3.3875 7.5643 120.6457 64.1698 36.8787 177.3063 66 Y 4.0704 8.0600 120.4601 61.1398 38.4628 178.7074 67 R 4.0918 7.6741 118.8357 59.4035 30.4269 178.1991 68 D 4.4073 7.9920 117.2030 57.7827 40.9363 178.9073 69 L 3.6603 7.9556 119.1427 57.4822 41.4067 178.9465 70 E 4.0497 7.7303 118.4708 59.3939 29.7019 178.7380 71 S 4.3409 8.1202 113.2227 61.1856 63.3107 176.0292 72 K 4.3143 8.0856 122.1602 57.6066 32.8034 175.7991 73 D 4.9951 7.7059 118.5967 53.5742 43.7117 176.1959 74 K 4.0188 8.7900 126.3269 59.0843 32.6332 177.4620 75 E 4.0487 8.3975 118.0823 59.4636 29.6787 177.6444 76 F 3.9488 9.7877 121.6800 60.9952 39.5846 175.2727 77 Y 5.3747 7.6599 118.7901 57.7839 37.9785 177.0844 78 T 4.4990 7.5968 104.9853 62.3913 72.1896 173.8095 79 Q 4.1092 7.7957 123.8698 57.4452 28.4416 175.8266 80 N 4.8205 7.9047 113.5881 51.6171 37.7087 174.5132 81 G 4.1710 8.1252 105.2938 46.9901 0.0000 176.4747 82 L 3.9217 7.3990 121.4912 57.6769 42.6888 177.7928 83 L 3.7070 7.5631 118.6836 58.2922 41.7121 179.2725 84 H 3.9616 7.5475 112.4501 57.7651 29.7094 176.1584 *86 L 4.2019 7.8521 119.0717 54.8715 43.3646 178.5266 87 D 4.5283 8.2328 117.1080 56.8913 41.3064 178.0152 88 R 3.9974 7.6747 119.7149 59.4175 29.9411 178.2101 89 N 4.0545 7.8276 114.6108 55.4197 38.6567 176.7229 90 R 4.2132 7.4968 116.1900 57.8144 29.7375 178.0667 91 R 4.3243 7.4576 116.8590 55.3626 30.1976 175.5848 92 I 4.6710 7.7691 119.6529 60.8023 37.3886 179.7008 93 K 4.1971 9.0297 132.7936 57.2769 31.9125 173.9566 94 K 4.5194 8.3039 115.8301 57.3157 34.0853 176.2289 95 C 3.9723 7.4283 109.6680 56.2352 30.8906 172.1685 96 P 4.6209 0.0000 0.0000 62.2117 30.3129 175.2066 97 E 4.8754 8.4808 124.5852 55.1649 31.8553 176.0943 98 R 3.7686 8.4541 119.4581 55.8356 30.8094 176.8385 99 F 4.4111 9.3424 124.4238 61.3888 39.7908 177.8846 100 Q 3.4461 8.0354 118.0853 58.8416 28.4896 177.1748 101 D 4.4635 7.7196 114.2789 54.9226 41.3308 176.1160 102 T 4.1122 7.0686 114.1977 62.2757 67.7015 173.4057 103 K 4.5401 8.1632 119.4347 55.4781 34.2745 176.9506 104 E 3.9773 7.8321 118.5797 56.0697 30.0035 176.0787 105 Q 4.0263 7.3135 118.4868 53.3264 31.5452 174.7282 106 F 5.0890 8.4277 117.2782 56.8454 42.9506 173.2566 107 D 4.7761 8.7488 120.7656 54.9734 41.3594 176.3827 108 I 5.1860 7.5577 122.3894 59.2604 39.8438 174.5818 109 I 4.4285 8.3428 129.5851 59.8447 38.3151 174.8920 110 V 4.3103 8.0154 128.3267 61.9923 32.8339 175.2574 111 T 4.9491 8.4747 117.4920 60.2065 72.0194 174.9098 112 V 4.5515 7.8574 111.6315 60.0960 33.5049 175.0616 113 E 5.4108 7.6986 119.7274 54.2985 32.2839 175.4264 114 E 3.9568 8.9552 124.1455 59.5314 29.6544 179.3628 115 R 3.9977 7.9879 114.1372 59.1205 29.6222 178.6146 116 V 3.6759 7.8714 118.5517 67.0042 31.7175 176.6242 117 Y 4.1048 8.2826 117.4588 62.0285 37.1437 177.8176 118 D 4.1243 8.4207 119.3646 56.3932 41.4257 178.0284 119 L 3.7830 7.6957 119.5179 55.9234 42.5041 177.2112 120 V 4.2178 7.3521 117.0274 65.3302 32.1773 178.3524 121 V 3.6930 6.6679 117.5249 62.9527 30.3344 175.2616 *123 H 4.3907 8.0335 114.4033 55.6961 30.9268 173.6122 *125 E 4.3417 8.2820 118.5376 56.3653 31.2618 178.0945 126 S 3.8730 8.0533 110.4550 59.7751 62.7280 174.3461 *128 E 4.1402 7.9232 119.7426 56.4747 29.0145 174.5391 129 S 4.7806 8.4871 118.2383 56.3282 65.6560 174.1448 130 V 4.2344 7.9721 113.8891 61.4286 30.8292 176.4066 131 D 4.4863 7.7959 118.6188 55.1751 44.3363 176.9758 132 N 4.1314 7.9984 115.8433 53.9193 37.1079 173.6190 133 R 4.7739 7.6576 117.4236 54.4217 32.0908 175.3414 134 P 4.6487 0.0000 0.0000 62.9359 32.4655 175.8022 135 V 4.8147 8.0505 121.6612 60.2762 34.8387 174.0518 136 H 4.9951 9.5492 122.2957 54.1606 30.9825 173.8145 137 V 4.6788 8.4456 125.3096 61.4041 32.6173 175.3574 138 L 5.3245 8.1576 128.2659 53.0116 45.4381 174.8406 139 N 4.9582 8.0320 116.1036 54.0343 42.2957 173.5602 140 V 4.8635 8.5605 127.3118 59.8241 32.2391 172.0285 141 D 4.5489 8.2541 122.3549 54.6215 42.1520 176.2108 142 V 4.2188 8.5435 123.6080 59.7937 33.1305 175.0930 143 V 3.4504 8.6163 125.5201 63.2999 31.7493 175.8442 144 D 4.5558 8.4609 125.2509 53.8644 40.0808 174.8288 145 N 4.5074 8.1256 120.8775 51.5545 39.5497 175.5058 146 A 3.8849 8.9011 122.9442 55.7755 18.7019 179.5127 147 E 4.0600 8.1241 115.6273 59.2667 29.6780 177.9944 148 D 4.2901 9.1584 118.0439 57.4592 41.5866 178.0563 149 A 4.0485 8.2524 121.4523 54.7745 18.0497 179.4381 150 L 3.5157 7.2593 115.9420 55.5713 41.5414 177.9986 *152 G 3.7719 8.1305 106.7267 44.5311 0.0000 175.4211 153 A 3.5077 7.1686 123.6805 54.9725 17.9286 179.0123 154 F 4.3308 7.0206 115.4427 60.3302 38.6815 177.7959 155 V 3.8800 7.7331 118.5869 66.7800 31.8334 178.0706 156 I 3.7339 7.5865 118.7214 64.8279 37.0633 178.4212 157 T 3.9785 7.4403 115.1642 66.1060 68.0419 175.7876 158 D 4.6806 8.6711 118.8957 55.2544 40.8731 177.6004 *160 I 3.7157 7.6660 119.9857 60.8911 39.8378 175.7576 161 N 4.7789 7.4789 119.7683 53.8969 36.8242 174.7344 *164 A 4.3454 7.6736 122.7413 51.6770 21.0315 177.8536 165 K 4.3687 7.9035 111.8272 56.7098 33.0505 176.2824 166 S 4.5630 7.6963 114.5711 57.5302 62.7743 173.2667 167 T 4.1252 7.7738 118.1432 64.1278 69.3285 175.0045 168 D 4.6558 7.7981 121.8088 53.4012 41.4329 178.4628 169 L 3.8758 8.0464 122.3935 58.5242 42.5559 177.6537 170 D 4.5696 8.0806 117.8654 57.6494 41.0110 178.0788 171 N 4.6177 8.1057 115.1386 55.1319 39.0031 175.4106 172 D 4.9341 7.8681 116.5949 52.7954 40.4595 177.5972 173 I 3.7026 7.7927 123.3746 64.7935 38.0049 177.4943 174 D 4.5665 7.9870 117.7487 55.8792 40.9374 177.2041 175 E 4.2040 8.2058 120.4211 58.4805 29.7108 177.5643 176 L 4.3790 7.6717 117.3108 56.2244 42.0390 179.0535 177 I 3.7261 7.6118 120.3331 64.1474 36.6865 177.5839 178 Q 4.2975 8.0201 119.7494 58.5681 28.8918 177.2712 179 E 4.1881 7.7280 117.2580 58.1896 29.3880 177.7421 180 F 4.6128 7.7818 119.2233 58.7497 41.1377 176.7652 181 E 4.0309 8.2197 117.7020 58.3918 28.9764 177.7646 182 E 4.4534 7.6502 115.5443 56.0466 31.0111 176.6200 183 R 4.2323 7.5724 116.0446 57.3067 30.6079 176.1787 184 R 4.2912 7.0371 112.8928 54.8538 33.4042 174.8396 185 K 4.0687 7.9333 115.2492 56.7829 29.1651 173.4473 186 R 4.5823 7.4287 115.0368 54.3045 34.3258 176.4301 187 V 3.9148 8.1166 118.9359 62.0773 30.2739 174.9128 188 I 5.1088 7.6424 128.0414 58.4013 37.3275 175.6463 189 L 4.1794 7.8582 126.8405 55.1549 42.8939 175.3458 190 H 5.5668 8.2822 119.0863 55.3984 33.2481 172.1639 191 S 4.5437 7.4969 115.5235 58.2077 65.2894 175.5240 192 V 5.1210 8.1184 112.7280 58.8443 34.6354 174.7519 193 L 4.6108 7.7474 120.5191 53.5415 46.6586 174.6781 194 F 5.0833 8.3424 118.0216 55.8106 42.0700 175.2471 195 Y 4.2667 8.4439 119.1211 58.4541 37.7193 175.5988 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 5 S 8.33 4.33 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.20 4.20 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.50 7.81 7 L 8.56 4.46 0.00 2.20 1.72 0.99 0.62 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 8 A 8.63 4.43 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 9 V 8.95 4.73 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 0.97 0.00 0.00 1.07 0.00 0.00 10 A 7.81 4.73 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.39 3.92 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 0.81 0.00 0.00 0.80 0.00 0.00 12 V 8.56 4.92 1.86 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 0.73 0.00 0.00 0.63 0.00 0.00 13 C 8.26 4.58 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.23 4.34 0.00 3.98 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 15 S 7.90 4.88 0.00 3.91 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 16 N 8.09 4.33 0.00 3.13 2.95 0.00 0.00 7.25 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 *18 N 8.31 4.65 0.00 2.75 2.74 0.00 0.00 7.31 7.65 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 19 R 5.84 3.95 0.00 1.85 1.91 0.00 3.28 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 20 S 7.86 4.33 0.00 4.01 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 0.00 *22 E 8.26 4.35 0.00 2.06 1.86 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 2.12 2.16 0.00 23 A 7.74 4.25 1.17 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 0.00 0.00 24 H 7.98 4.15 0.00 3.53 3.23 0.00 5.59 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 25 N 8.25 4.35 0.00 2.90 3.00 0.00 0.00 7.19 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 26 F 7.92 4.00 0.00 2.94 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 27 L 8.21 4.53 0.00 1.69 1.34 0.65 -0.44 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 28 A 8.57 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.14 4.21 0.00 1.80 1.90 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.49 7.81 30 K 8.03 4.23 0.00 2.14 1.84 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 31 G 7.04 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 32 F 6.21 3.66 0.00 3.30 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 33 N 8.73 4.93 0.00 2.85 2.99 0.00 0.00 6.70 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 34 V 8.02 5.62 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 0.77 0.00 0.00 0.79 0.00 0.00 35 R 8.26 4.99 0.00 2.01 1.89 0.00 3.38 0.00 0.00 3.60 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 36 S 8.14 5.15 0.00 3.95 3.88 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 37 Y 8.57 5.10 0.00 3.12 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 38 G 8.90 4.87 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 0.00 0.00 0.00 39 T 8.63 4.86 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 40 G 8.80 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 41 E 9.14 4.24 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 42 R 7.69 5.08 0.00 1.71 1.85 0.00 3.24 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 43 V 8.35 3.56 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 0.82 0.00 0.00 -0.06 0.00 0.00 44 K 8.99 5.14 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.22 7.81 45 L 8.48 4.65 0.00 1.82 1.81 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 3.98 0.00 2.30 2.29 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 2.16 2.12 0.00 47 G 9.38 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 0.00 0.00 0.00 *49 A 7.48 3.74 0.97 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 50 F 7.13 4.53 0.00 3.09 3.25 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 0.00 51 D 8.19 4.77 0.00 2.84 2.95 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 52 K 7.69 4.40 0.00 1.72 1.72 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.30 7.81 53 P 0.00 5.06 0.00 2.27 2.00 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 54 N 8.46 4.95 0.00 2.68 2.39 0.00 0.00 6.82 7.29 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 55 V 7.60 4.49 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.81 0.00 0.00 56 Y 8.16 4.96 0.00 2.70 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 57 E 8.91 4.49 0.00 2.21 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 2.54 2.33 0.00 58 F 8.65 4.31 0.00 3.18 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 59 G 8.68 3.63 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 0.00 0.00 0.00 60 T 8.27 3.73 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 61 K 8.33 4.24 0.00 1.84 1.73 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 62 Y 7.96 3.96 0.00 2.96 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 63 E 8.37 4.10 0.00 2.05 1.95 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 2.30 2.26 0.00 64 D 7.84 4.57 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 65 I 7.56 3.39 1.85 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.33 0.00 0.00 66 Y 8.06 4.07 0.00 3.01 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 67 R 7.67 4.09 0.00 2.11 1.99 0.00 3.35 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 68 D 7.99 4.41 0.00 2.85 2.84 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 69 L 7.96 3.66 0.00 1.51 1.30 -0.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.73 4.05 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 71 S 8.12 4.34 0.00 4.11 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 72 K 8.09 4.31 0.00 2.14 2.07 0.00 1.99 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.48 7.81 73 D 7.71 5.00 0.00 2.68 2.53 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 74 K 8.79 4.02 0.00 1.97 1.89 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.60 7.81 75 E 8.40 4.05 0.00 1.96 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 2.31 2.39 0.00 76 F 9.79 3.95 0.00 2.83 2.48 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 0.00 77 Y 7.66 5.37 0.00 3.10 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 78 T 7.60 4.50 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 1.27 0.00 0.00 79 Q 7.80 4.11 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.28 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 80 N 7.90 4.82 0.00 2.84 2.82 0.00 0.00 6.22 7.89 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 81 G 8.13 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 0.00 0.00 0.00 0.00 82 L 7.40 3.92 0.00 1.92 1.75 0.91 1.02 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 83 L 7.56 3.71 0.00 1.62 1.33 0.87 0.31 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 84 H 7.55 3.96 0.00 3.20 3.43 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 L 7.85 4.20 0.00 1.80 1.77 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.23 4.53 0.00 2.84 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 88 R 7.67 4.00 0.00 1.84 1.84 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 89 N 7.83 4.05 0.00 2.03 1.42 0.00 0.00 6.90 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 90 R 7.50 4.21 0.00 2.07 2.23 0.00 2.86 0.00 0.00 3.50 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 91 R 7.46 4.32 0.00 1.98 1.98 0.00 3.07 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 92 I 7.77 4.67 1.72 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 1.08 0.73 0.83 0.00 0.00 93 K 9.03 4.20 0.00 1.74 1.97 0.00 2.09 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 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0.00 0.00 0.00 0.00 130 V 7.97 4.23 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 0.76 0.00 0.00 0.92 0.00 0.00 131 D 7.80 4.49 0.00 2.61 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 0.00 132 N 8.00 4.13 0.00 2.67 2.86 0.00 0.00 6.94 7.65 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 0.00 133 R 7.66 4.77 0.00 2.07 2.12 0.00 3.00 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 134 P 0.00 4.65 0.00 2.16 2.32 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 135 V 8.05 4.81 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 0.60 0.00 0.00 1.03 0.00 0.00 136 H 9.55 5.00 0.00 3.11 3.44 0.00 5.80 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.45 4.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.89 0.00 0.00 138 L 8.16 5.32 0.00 1.57 1.53 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.03 4.96 0.00 2.57 2.31 0.00 0.00 7.08 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 V 8.56 4.86 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 0.96 0.00 0.00 0.85 0.00 0.00 141 D 8.25 4.55 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 142 V 8.54 4.22 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 0.67 0.00 0.00 0.97 0.00 0.00 143 V 8.62 3.45 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 0.77 0.00 0.00 0.92 0.00 0.00 144 D 8.46 4.56 0.00 2.66 2.61 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 0.00 0.00 0.00 0.00 145 N 8.13 4.51 0.00 2.92 2.83 0.00 0.00 6.01 7.64 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 0.00 146 A 8.90 3.88 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 0.00 147 E 8.12 4.06 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 2.38 2.37 0.00 148 D 9.16 4.29 0.00 2.65 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 0.00 149 A 8.25 4.05 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 0.00 150 L 7.26 3.52 0.00 1.93 1.68 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *152 G 8.13 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 0.00 153 A 7.17 3.51 -0.46 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 0.00 154 F 7.02 4.33 0.00 3.11 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 0.00 155 V 7.73 3.88 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 1.16 0.00 0.00 1.03 0.00 0.00 156 I 7.59 3.73 1.73 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 1.44 0.68 0.77 0.00 0.00 157 T 7.44 3.98 4.54 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 1.39 0.00 0.00 158 D 8.67 4.68 0.00 2.99 3.05 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 *160 I 7.67 3.72 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.86 0.00 0.00 161 N 7.48 4.78 0.00 3.03 3.11 0.00 0.00 6.90 8.61 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 *164 A 7.67 4.35 1.54 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 0.00 0.00 165 K 7.90 4.37 0.00 1.91 1.91 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.38 7.81 166 S 7.70 4.56 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.77 4.13 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 0.00 168 D 7.80 4.66 0.00 2.79 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 0.00 169 L 8.05 3.88 0.00 1.65 1.72 0.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.08 4.57 0.00 2.80 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 0.00 171 N 8.11 4.62 0.00 3.15 2.90 0.00 0.00 6.65 8.06 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 0.00 172 D 7.87 4.93 0.00 2.89 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 0.00 173 I 7.79 3.70 2.07 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 1.06 0.00 0.00 174 D 7.99 4.57 0.00 2.72 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 0.00 175 E 8.21 4.20 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 176 L 7.67 4.38 0.00 1.82 1.69 0.92 1.25 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 0.00 177 I 7.61 3.73 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.21 0.95 0.00 0.00 178 Q 8.02 4.30 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 179 E 7.73 4.19 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 180 F 7.78 4.61 0.00 3.33 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 0.00 181 E 8.22 4.03 0.00 2.11 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 0.00 2.36 2.62 0.00 182 E 7.65 4.45 0.00 1.94 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 2.20 2.29 0.00 183 R 7.57 4.23 0.00 1.84 1.56 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 184 R 7.04 4.29 0.00 1.46 1.66 0.00 3.38 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 185 K 7.93 4.07 0.00 1.81 1.81 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.43 7.81 186 R 7.43 4.58 0.00 1.78 1.82 0.00 3.21 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 187 V 8.12 3.91 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 0.75 0.00 0.00 0.91 0.00 0.00 188 I 7.64 5.11 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.87 0.00 0.00 189 L 7.86 4.18 0.00 0.55 1.09 0.39 0.77 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 0.00 190 H 8.28 5.57 0.00 3.05 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.50 4.54 0.00 3.81 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 0.00 192 V 8.12 5.12 1.66 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 0.91 0.00 0.00 0.73 0.00 0.00 193 L 7.75 4.61 0.00 1.28 1.32 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.34 5.08 0.00 2.90 2.96 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 0.00 195 Y 8.44 4.27 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.