NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7781 8.3544 109.7369 45.6414 0.0000 172.5110 2 D 4.5032 8.6021 122.0474 51.4899 40.9741 175.3700 3 T 4.5269 9.0226 116.7355 60.8436 70.7871 174.2017 4 R 3.9870 7.5735 121.1431 55.9620 30.5875 174.9079 5 P 4.2882 0.0000 0.0000 62.8475 31.9771 175.7180 6 R 4.5303 7.7372 117.9590 54.4357 32.6056 175.9031 7 F 4.7600 8.4652 117.9474 55.9248 41.9590 174.0750 8 L 4.9818 8.2955 127.6359 53.2652 44.6396 175.5345 9 W 5.6473 8.6123 132.2297 56.3680 33.6514 173.7675 10 Q 4.6180 8.5451 125.8920 53.9260 32.2873 174.3750 11 L 4.7909 8.0502 122.6245 53.4189 45.2710 175.3760 12 K 4.5592 8.7329 125.1010 54.5732 35.8989 175.0692 13 F 4.8217 9.0590 123.7310 55.9641 40.8418 175.0582 14 E 4.5458 9.4188 125.4317 54.9888 31.1763 174.9537 15 C 4.9906 8.8419 123.4379 55.9648 41.2213 172.9639 16 H 4.7134 8.7995 122.5140 54.0232 30.4852 174.2524 17 F 5.1490 8.4529 121.5159 55.6253 41.5594 174.5034 18 F 4.5597 8.9644 122.6360 56.2609 41.5292 174.0918 19 N 4.3024 9.5175 122.5089 54.9653 37.2301 174.2602 20 G 3.6538 7.6889 114.2792 47.1769 0.0000 171.7965 21 T 4.1894 8.1191 118.2768 61.3892 68.1390 175.2085 22 E 3.9586 8.4075 121.9161 57.3488 29.0370 177.6635 23 R 4.3133 5.8400 115.1379 56.2064 32.2836 175.6318 24 V 4.9980 8.3220 124.5181 61.2201 35.0730 174.1546 25 R 4.6293 8.9090 126.9078 54.4674 33.2484 173.3568 26 L 5.0239 9.1196 129.1982 53.4977 44.2924 174.6361 27 L 5.0298 9.2101 129.6191 53.5033 44.1018 174.2618 28 E 4.9113 9.5550 129.5236 54.7715 31.2325 174.9459 29 R 5.0995 8.7892 123.4697 54.6881 33.1225 173.7258 30 C 4.6924 9.0095 120.3336 58.0677 30.9036 172.8558 31 I 4.4256 7.3419 123.0096 60.1928 39.9945 174.4604 32 Y 4.9336 9.6229 131.3881 58.0802 38.7668 175.6636 33 N 4.3934 7.4873 118.5487 54.1976 40.6700 175.8211 34 Q 4.5150 7.6349 116.2439 55.4837 30.7625 174.2695 35 E 4.6545 8.0180 115.4813 53.7842 32.3220 174.6405 36 E 4.6102 8.8297 125.0112 56.0018 30.5131 175.6853 37 S 4.6988 9.1190 121.2601 59.2124 65.0007 174.2096 38 V 5.0934 7.5469 118.7349 61.0808 35.6640 173.7173 39 R 5.3093 8.6574 118.5319 55.8786 33.5493 173.4742 40 F 4.8051 9.5963 121.7012 56.6921 42.6779 172.5446 41 D 5.2434 8.1221 126.7243 52.3153 41.9156 176.7822 42 S 3.5142 9.0885 122.7548 61.4659 62.9896 176.4856 43 D 4.0856 8.2354 119.6782 56.1111 40.7332 177.1941 44 V 3.7877 8.2247 118.8753 62.3948 32.1616 176.9491 45 G 3.8404 8.8936 106.9235 44.9997 0.0000 172.2525 46 E 4.6593 6.6584 114.9379 55.1437 32.1327 174.3893 47 Y 4.7264 8.8161 117.7075 58.3261 38.8296 176.0202 48 R 4.8525 9.2218 121.4834 54.3231 34.3438 174.5492 49 A 4.5594 8.8108 125.5619 52.1527 18.7035 177.3941 50 V 4.1924 9.4108 122.7958 64.2104 32.6037 175.9101 51 T 4.7819 7.6576 108.6667 58.7901 71.9301 174.2291 52 E 4.0615 8.8777 121.6332 59.7108 29.0908 179.5910 53 L 4.1328 8.0918 117.9319 57.1257 42.0038 178.5490 54 G 3.9485 8.1546 103.8043 44.6461 0.0000 175.3599 55 R 3.8985 7.8030 122.1691 59.0569 30.0356 176.5262 56 P 4.1702 0.0000 0.0000 65.6056 31.3083 178.3768 57 D 3.4799 7.6427 116.9054 56.8250 40.7622 178.3029 58 A 4.1000 7.4646 120.7753 55.3688 18.1331 179.6429 59 E 3.9626 7.8029 115.6700 59.5686 29.8855 178.6599 60 Y 4.3868 7.9772 119.5448 60.7154 38.8808 178.0755 61 W 4.0429 8.1361 120.0453 59.7825 28.9583 178.1968 62 N 4.7167 8.1675 114.8015 55.5095 38.0556 176.5434 63 S 4.7317 7.9170 114.1163 58.3353 64.2926 174.2756 64 Q 4.4952 8.1047 123.5400 53.9988 28.5703 176.0495 65 K 3.9917 8.5394 123.5325 59.3124 32.2053 178.3744 66 D 4.3538 8.1679 118.6693 57.4905 40.7111 178.3033 67 L 3.8437 7.9365 119.8706 58.3850 42.0181 178.4251 68 L 3.9472 8.0070 119.9775 58.3238 41.7753 178.7861 69 E 3.9178 8.7307 119.5581 59.2185 29.3786 178.5892 70 Q 3.9175 7.7963 118.5654 59.0846 29.3281 178.1292 71 R 3.7437 8.1427 119.4147 59.3672 29.8395 179.1931 72 R 4.0857 7.9626 116.1410 58.9811 30.3420 178.0562 73 A 4.3909 7.8058 118.2637 52.6227 18.9737 178.8519 74 A 4.1757 8.1258 121.8387 54.2919 18.4176 180.1254 75 V 3.6456 8.0066 110.7599 64.3331 31.3803 177.1794 76 D 4.6150 7.8936 117.7148 56.5757 41.5191 178.6460 77 T 3.9358 8.3212 110.2276 65.0729 68.5791 173.9434 78 Y 4.5353 7.9018 120.4710 59.1973 39.7432 177.6859 79 C 4.3050 9.1482 117.0114 60.5534 39.0723 176.7008 80 R 4.0473 8.2317 119.0541 59.5418 29.7449 178.4520 81 H 4.0943 8.0912 117.8002 59.7135 29.5961 176.9865 82 N 4.2038 8.4867 118.3675 56.2184 38.0563 176.7403 83 Y 3.8257 7.8825 120.3982 60.7330 38.7077 178.4159 84 G 3.6484 8.2030 106.4311 47.3729 0.0000 175.7010 85 V 3.7142 7.4331 120.1093 65.0402 31.2875 177.1344 86 G 3.1618 7.1800 105.9437 44.5608 0.0000 174.4344 87 E 3.3930 7.4485 123.7703 58.5048 29.8336 179.3939 88 S 4.0065 7.7213 112.8123 60.5376 63.2115 174.7382 89 F 4.6957 7.0885 112.7333 56.2530 37.8519 175.0031 90 T 4.4978 6.7678 108.9135 63.4911 70.8302 176.3664 91 V 3.5112 7.4884 122.7063 65.0538 31.7536 177.4578 92 Q 4.2146 7.8306 116.0534 56.7680 29.0673 176.4418 93 R 4.0148 7.1833 118.0006 57.1610 30.4807 175.7047 94 R 5.1502 8.2985 122.0665 54.9650 34.6006 174.6238 95 V 4.4772 9.5096 123.1585 60.9490 34.9105 174.0331 96 E 5.0044 9.2592 129.5408 55.1168 30.1647 174.5700 97 P 4.7339 0.0000 0.0000 62.7459 32.8786 175.8909 98 K 4.3537 9.2081 124.4585 55.5505 32.9315 175.0483 99 V 4.8759 8.2363 127.7651 61.6745 33.2266 174.7658 100 T 4.8590 8.7123 120.8595 60.7008 71.3409 172.2527 101 V 5.1436 8.4799 126.7031 61.4345 34.2029 173.9731 102 Y 5.1657 8.2700 124.1475 55.1626 41.6133 171.9985 103 P 4.5273 0.0000 0.0000 62.4622 32.1727 176.2987 104 S 4.4047 8.8704 118.1656 57.7516 64.0849 173.7084 105 K 4.6295 8.2503 118.2624 56.5311 33.4594 177.6958 106 T 4.5760 7.7271 112.2064 62.8600 71.2725 178.0413 107 Q 3.4776 8.8823 129.0842 56.4606 28.3779 171.8503 *111 H 4.6924 8.3510 118.3102 57.6544 30.1901 172.9527 112 H 5.0770 8.8534 114.7751 53.7740 32.0749 173.0913 113 N 4.7580 8.8396 119.3401 51.7478 41.5949 173.2669 114 L 4.4462 8.3133 129.1444 53.9611 42.8224 175.4609 115 L 4.0429 8.0576 127.1590 54.1171 43.3640 176.3601 116 V 4.5518 8.2828 121.7640 61.1441 34.6369 173.2506 117 C 5.1157 8.8881 128.0057 55.0438 41.6464 172.1582 118 S 5.0025 9.0415 122.8171 56.7965 63.9349 172.8482 119 V 4.6191 8.7436 128.3598 61.3010 33.3186 174.3855 120 S 5.2682 8.7120 122.3425 56.5238 67.0168 174.1172 121 G 4.6642 8.7507 106.5487 47.5086 0.0000 173.5998 122 F 5.2316 7.8596 113.5757 55.7268 40.8863 173.7771 123 Y 4.7271 8.7213 119.8716 55.7867 42.6089 172.6068 124 P 2.9700 0.0000 0.0000 61.7871 31.9037 176.5697 125 G 2.0829 7.3015 108.8885 47.4800 0.0000 174.8350 126 S 4.0618 7.4367 114.9456 58.3908 63.2675 173.0204 127 I 4.4742 7.7842 123.4501 59.9678 41.4275 173.0416 128 E 4.6253 8.7067 125.0126 54.6897 32.9819 174.2702 129 V 5.4190 8.2891 119.1430 58.7294 35.0258 175.0699 130 R 4.6934 8.5278 123.4850 54.1167 34.4438 174.6065 131 W 5.4260 8.5133 120.8213 55.7752 31.8013 175.2617 132 F 5.3041 9.9807 120.5070 55.9368 43.3041 174.1341 133 R 4.5696 8.7611 121.2962 54.5843 32.4738 175.0167 134 N 3.8388 9.3829 126.5426 54.5952 36.2590 175.9044 135 G 3.9695 9.1895 103.6140 45.4090 0.0000 173.6570 136 Q 4.5996 8.0609 116.5380 55.1149 31.0653 173.5498 137 E 3.4117 8.0006 123.5932 53.3038 32.7494 176.3637 138 E 4.7129 7.8454 121.5562 54.2986 29.3202 175.8007 139 K 3.7092 7.8386 120.2437 60.0925 33.0221 177.9831 140 A 4.1584 7.5220 121.0345 52.7682 19.5212 176.4232 141 G 4.0986 8.7507 107.5977 45.5028 0.0000 174.6781 142 V 4.2239 7.2291 111.1064 61.8190 32.7579 176.5580 143 V 4.3040 8.3843 122.1583 62.2912 34.9397 172.7673 144 S 5.2851 8.7232 122.3405 56.9393 64.6444 173.4688 145 T 4.1080 8.8800 118.1494 62.6722 67.6614 175.9595 146 G 4.0179 8.0937 105.5145 44.8808 0.0000 172.6276 147 L 4.3007 8.2385 121.4443 55.0622 42.8410 175.9689 148 I 4.2904 8.9165 128.2659 59.7953 39.1721 175.0050 149 Q 3.5555 8.4364 129.5375 54.2703 28.1834 175.7665 150 N 4.1501 8.3018 123.8302 54.4145 38.8629 176.7642 151 G 3.9010 7.5997 106.3710 45.0633 0.0000 173.6891 152 D 4.9725 7.5603 118.1122 52.8686 39.8553 175.9030 153 W 3.4661 8.2332 115.9541 58.7205 26.4453 174.0298 154 T 4.9948 7.6524 110.6693 60.7937 70.9314 172.2654 155 F 5.6128 8.8121 125.7465 55.0841 43.1171 173.5526 156 Q 5.4350 7.9855 115.0155 56.7300 31.3582 172.7771 157 T 4.5828 8.5939 111.7415 61.5747 71.6789 171.5281 158 L 5.2127 8.2949 126.7225 53.0861 44.9258 175.6986 159 V 4.6581 8.7006 122.6194 61.4799 33.9285 174.6282 160 M 4.9775 8.9388 127.9236 54.7941 34.0922 175.3309 161 L 4.5297 8.1998 121.7210 53.3202 45.4995 174.5115 162 E 4.5846 8.0489 127.5457 55.5203 30.3960 175.3997 163 T 4.4705 8.2134 115.9603 60.1435 72.8578 173.0105 164 V 4.3197 8.1229 123.1923 59.6494 30.8917 172.3643 165 P 4.7739 0.0000 0.0000 62.6892 32.0659 176.9102 166 R 4.6281 9.3094 120.1351 53.8957 33.4866 174.6479 167 S 4.2159 8.1424 115.3360 59.5260 62.7008 174.4486 168 G 4.0413 8.8055 115.2751 45.3328 0.0000 173.5907 169 E 3.9784 8.1618 119.9743 56.3416 31.0102 176.4996 170 V 4.7073 8.0848 122.3387 61.5250 33.9350 174.1936 171 Y 4.8992 9.0073 127.7914 57.3383 38.8972 174.9544 172 T 4.8603 9.1443 122.3748 62.5613 71.0464 173.3481 173 C 4.3204 8.8331 126.5053 54.8523 46.4767 171.8869 174 Q 5.0684 9.1739 128.5632 54.3916 31.1576 174.2714 175 V 4.8875 8.7752 125.5604 61.0868 35.2048 173.8443 176 E 4.9925 9.0921 126.7069 54.9031 33.0460 174.3846 177 H 4.8409 8.6939 121.7513 54.3542 32.9054 172.2995 178 P 4.3790 0.0000 0.0000 65.8628 31.4939 177.8118 179 S 4.3993 8.4940 111.4725 59.8839 63.4034 174.0032 180 V 4.7527 8.0077 114.7965 59.5976 34.6469 175.7304 181 T 4.0073 8.7266 115.2402 64.3306 69.1629 174.6810 182 S 4.7113 7.6195 116.9441 54.7267 64.8609 171.8833 183 P 4.4950 0.0000 0.0000 63.5424 31.7845 175.2486 184 L 4.6404 8.8012 122.2325 54.0644 43.1685 175.8688 185 T 5.0788 8.3868 112.8018 59.9606 72.2567 173.8083 186 V 4.3406 8.3402 122.5690 61.7546 34.4509 174.2417 187 E 5.0403 8.9388 127.5070 55.5148 31.4665 176.2132 188 W 4.9399 8.8263 130.9219 55.8093 33.6655 174.2358 189 R 4.5979 8.2416 126.8517 55.6224 30.5823 176.7283 190 A 4.4333 9.1179 125.3345 52.0807 19.2297 176.8123 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 G 8.35 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 2 D 8.60 4.50 0.00 2.72 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 3 T 9.02 4.53 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 4 R 7.57 3.99 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 5 P 0.00 4.29 0.00 1.77 1.97 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 6 R 7.74 4.53 0.00 1.62 1.78 0.00 3.30 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 7 F 8.47 4.76 0.00 3.11 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 8 L 8.30 4.98 0.00 1.56 1.49 0.98 1.31 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 9 W 8.61 5.65 0.00 3.54 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 10 Q 8.55 4.62 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 11 L 8.05 4.79 0.00 1.42 1.45 0.60 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.73 4.56 0.00 1.58 1.60 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.26 7.81 13 F 9.06 4.82 0.00 3.00 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 14 E 9.42 4.55 0.00 2.00 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 2.26 2.28 0.00 15 C 8.84 4.99 0.00 2.88 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 16 H 8.80 4.71 0.00 3.24 3.04 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.45 5.15 0.00 2.84 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 18 F 8.96 4.56 0.00 3.07 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 19 N 9.52 4.30 0.00 2.95 2.85 0.00 0.00 7.11 7.90 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 20 G 7.69 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.12 4.19 3.50 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 1.11 0.00 0.00 22 E 8.41 3.96 0.00 2.13 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 2.35 2.26 0.00 23 R 5.84 4.31 0.00 2.01 1.87 0.00 2.84 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 24 V 8.32 5.00 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 0.71 0.00 0.00 1.08 0.00 0.00 25 R 8.91 4.63 0.00 1.97 1.91 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 26 L 9.12 5.02 0.00 1.88 1.66 1.13 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.21 5.03 0.00 1.83 1.62 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.56 4.91 0.00 2.10 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 2.06 1.57 0.00 29 R 8.79 5.10 0.00 1.78 2.10 0.00 2.81 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 30 C 9.01 4.69 0.00 3.02 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 31 I 7.34 4.43 1.63 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 1.03 0.68 0.84 0.00 0.00 32 Y 9.62 4.93 0.00 3.03 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 33 N 7.49 4.39 0.00 2.46 2.53 0.00 0.00 6.54 7.69 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 34 Q 7.63 4.51 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 35 E 8.02 4.65 0.00 2.09 1.87 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 2.31 2.27 0.00 36 E 8.83 4.61 0.00 1.92 1.87 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 2.32 2.43 0.00 37 S 9.12 4.70 0.00 4.04 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.55 5.09 2.40 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 1.39 0.00 0.00 1.10 0.00 0.00 39 R 8.66 5.31 0.00 2.15 2.26 0.00 2.79 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 40 F 9.60 4.81 0.00 2.14 2.68 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 41 D 8.12 5.24 0.00 2.66 2.33 0.00 0.00 0.00 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7.46 4.10 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 0.00 0.00 0.00 0.00 0.00 59 E 7.80 3.96 0.00 1.98 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 0.00 2.36 2.64 0.00 60 Y 7.98 4.39 0.00 2.87 2.78 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 61 W 8.14 4.04 0.00 3.23 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 62 N 8.17 4.72 0.00 2.96 3.01 0.00 0.00 7.07 7.87 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 63 S 7.92 4.73 0.00 4.11 4.21 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 64 Q 8.10 4.50 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 65 K 8.54 3.99 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.63 7.81 66 D 8.17 4.35 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.94 3.84 0.00 1.70 1.91 0.78 0.53 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 68 L 8.01 3.95 0.00 2.03 1.73 1.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.73 3.92 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 2.31 2.32 0.00 70 Q 7.80 3.92 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 71 R 8.14 3.74 0.00 1.60 0.97 0.00 2.92 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 72 R 7.96 4.09 0.00 2.01 2.07 0.00 3.40 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 73 A 7.81 4.39 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 74 A 8.13 4.18 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 75 V 8.01 3.65 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 1.03 0.00 0.00 1.06 0.00 0.00 76 D 7.89 4.62 0.00 2.87 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 77 T 8.32 3.94 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 1.23 0.00 0.00 78 Y 7.90 4.54 0.00 3.00 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 79 C 9.15 4.30 0.00 3.26 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 80 R 8.23 4.05 0.00 2.16 2.04 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 81 H 8.09 4.09 0.00 3.26 3.59 0.00 5.79 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 82 N 8.49 4.20 0.00 2.64 2.73 0.00 0.00 6.76 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 83 Y 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.79 0.00 0.00 120 S 8.71 5.27 0.00 4.02 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 0.00 121 G 8.75 4.66 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 0.00 122 F 7.86 5.23 0.00 3.00 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 0.00 123 Y 8.72 4.73 0.00 3.38 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 0.00 124 P 0.00 2.97 0.00 1.65 1.59 0.00 3.59 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 1.93 2.22 0.00 125 G 7.30 2.08 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 0.00 126 S 7.44 4.06 0.00 3.90 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 0.00 127 I 7.78 4.47 1.76 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 0.81 0.00 0.00 128 E 8.71 4.63 0.00 2.02 1.67 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 2.18 2.26 0.00 129 V 8.29 5.42 1.87 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 0.74 0.00 0.00 0.83 0.00 0.00 130 R 8.53 4.69 0.00 1.66 1.76 0.00 3.30 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 131 W 8.51 5.43 0.00 3.22 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 0.00 132 F 9.98 5.30 0.00 3.03 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 0.00 133 R 8.76 4.57 0.00 2.02 1.83 0.00 3.38 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.00 134 N 9.38 3.84 0.00 2.93 2.88 0.00 0.00 7.12 7.63 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 0.00 135 G 9.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.06 4.60 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.53 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 137 E 8.00 3.41 0.00 1.76 1.77 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 2.17 2.23 0.00 138 E 7.85 4.71 0.00 2.10 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 2.33 2.48 0.00 139 K 7.84 3.71 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 140 A 7.52 4.16 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 0.00 141 G 8.75 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 0.00 0.00 0.00 0.00 142 V 7.23 4.22 2.16 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 0.86 0.00 0.00 1.02 0.00 0.00 143 V 8.38 4.30 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 0.82 0.00 0.00 0.96 0.00 0.00 144 S 8.72 5.29 0.00 3.92 3.72 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 T 8.88 4.11 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 1.31 0.00 0.00 146 G 8.09 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 0.00 147 L 8.24 4.30 0.00 1.77 1.72 1.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.92 4.29 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.87 0.00 0.00 149 Q 8.44 3.56 0.00 1.75 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.09 1.74 0.00 150 N 8.30 4.15 0.00 2.96 2.81 0.00 0.00 7.10 7.53 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 0.00 151 G 7.60 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.56 4.97 0.00 2.83 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 0.00 153 W 8.23 3.47 0.00 3.34 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 0.00 154 T 7.65 4.99 4.38 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 1.35 0.00 0.00 155 F 8.81 5.61 0.00 1.51 2.39 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 0.00 156 Q 7.99 5.44 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 157 T 8.59 4.58 4.45 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 1.30 0.00 0.00 158 L 8.29 5.21 0.00 1.65 1.55 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.70 4.66 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 1.05 0.00 0.00 0.92 0.00 0.00 160 M 8.94 4.98 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 161 L 8.20 4.53 0.00 0.27 0.13 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.05 4.58 0.00 2.00 1.70 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 2.18 2.24 0.00 163 T 8.21 4.47 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 164 V 8.12 4.32 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 0.74 0.00 0.00 0.75 0.00 0.00 165 P 0.00 4.77 0.00 2.38 2.23 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 166 R 9.31 4.63 0.00 1.93 1.83 0.00 3.18 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 167 S 8.14 4.22 0.00 3.83 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 0.00 168 G 8.81 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 0.00 169 E 8.16 3.98 0.00 1.95 1.39 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 2.22 2.43 0.00 170 V 8.08 4.71 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 1.04 0.00 0.00 0.94 0.00 0.00 171 Y 9.01 4.90 0.00 3.19 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 0.00 172 T 9.14 4.86 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 0.00 173 C 8.83 4.32 0.00 1.30 2.50 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 0.00 174 Q 9.17 5.07 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 175 V 8.78 4.89 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 0.83 0.00 0.00 0.76 0.00 0.00 176 E 9.09 4.99 0.00 1.86 1.76 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 2.19 2.20 0.00 177 H 8.69 4.84 0.00 3.04 2.99 0.00 5.71 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 0.00 178 P 0.00 4.38 0.00 1.96 2.09 0.00 3.03 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 1.85 2.00 0.00 179 S 8.49 4.40 0.00 4.07 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 0.00 180 V 8.01 4.75 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 1.08 0.00 0.00 181 T 8.73 4.01 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 0.00 182 S 7.62 4.71 0.00 3.97 3.87 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 0.00 183 P 0.00 4.50 0.00 2.04 2.08 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 184 L 8.80 4.64 0.00 1.54 1.58 0.87 0.63 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 0.00 185 T 8.39 5.08 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 1.12 0.00 0.00 186 V 8.34 4.34 2.08 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 1.06 0.00 0.00 0.94 0.00 0.00 187 E 8.94 5.04 0.00 1.97 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 2.35 2.35 0.00 188 W 8.83 4.94 0.00 3.64 3.33 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 0.00 189 R 8.24 4.60 0.00 1.50 1.74 0.00 3.38 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 190 A 9.12 4.43 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 * Residues marked with a * may have inaccurate shift predictions.