NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3687 8.3044 118.1971 54.3055 33.1862 174.3963 2 K 4.2592 7.7904 121.5549 54.1684 33.3513 174.2316 3 T 3.9862 8.6743 123.5429 63.6771 70.1459 172.9888 4 Y 4.2013 8.6334 125.3234 58.1556 39.2835 175.6326 5 V 3.9793 6.4601 122.9317 60.0344 33.8203 174.0509 6 P 4.9263 0.0000 0.0000 62.6301 31.8534 175.3460 7 K 4.5435 8.5614 115.0450 56.2583 35.7516 173.9707 8 Q 4.1808 7.9735 122.9677 56.2159 27.4063 177.4889 9 V 4.1302 8.1002 121.8053 60.9851 33.1684 175.2660 10 E 4.1243 8.5188 124.9773 55.1794 30.0071 174.3633 11 P 4.6372 0.0000 0.0000 62.1115 32.1085 175.7623 12 R 4.5486 8.5798 120.4449 55.5001 31.1684 175.8713 13 W 4.8436 9.0535 121.3586 55.9328 31.2483 175.4433 14 V 4.8396 8.4453 120.4790 61.3840 35.4955 173.7614 15 L 5.2740 8.4992 124.9179 53.4155 45.6352 174.8922 16 I 4.7687 9.0165 125.6601 59.6518 41.8824 173.1030 17 D 5.4311 9.1369 128.2181 50.9334 42.0634 174.6767 18 A 4.6845 8.1013 131.2879 51.3416 19.7107 178.9699 19 E 4.0993 8.1066 119.6622 60.1117 29.5318 177.5802 20 G 4.1335 7.9058 104.0586 45.7957 0.0000 173.1715 21 K 4.5422 8.3911 121.2228 55.4033 34.8222 176.3298 22 T 4.6409 8.2862 118.0499 62.6036 69.0415 174.4789 23 L 4.0802 7.9631 129.0417 56.6813 42.4845 176.4341 24 G 4.1605 9.1962 113.5467 45.7228 0.0000 174.8683 25 R 4.4143 8.2292 116.4968 56.2094 31.1121 177.1306 26 L 4.4135 7.6840 119.3493 56.4588 43.2272 177.4511 27 A 3.9642 8.1105 120.2658 55.7903 18.3664 178.8611 28 T 3.7103 7.9872 110.4496 65.7561 67.2753 175.6820 29 K 4.0121 7.6530 119.7497 59.1140 32.0231 179.4749 30 I 3.7078 7.7725 118.2781 64.3265 37.1284 177.7358 31 A 4.1641 7.9821 122.5915 54.5422 18.1607 179.2382 32 T 3.7294 7.9569 106.9089 65.0109 68.5844 176.0338 33 L 4.0274 8.0944 122.6658 57.9595 42.1911 178.6463 34 L 4.0859 8.1120 119.6201 57.1106 41.5679 179.1222 35 R 4.6103 7.6891 113.3657 60.1395 30.6722 177.6937 36 G 3.5200 7.5571 103.3621 48.0868 0.0000 175.2353 37 K 3.6428 7.7311 119.3290 56.2534 32.6571 176.2490 38 H 4.6399 7.5442 114.1845 56.4058 30.1481 175.4122 39 R 4.2362 7.6598 117.8943 54.4879 30.0198 175.2124 40 P 4.4038 0.0000 0.0000 64.3885 31.0957 176.4599 41 D 5.0323 8.1631 118.2850 54.3122 40.5806 176.0699 42 W 4.6117 7.6660 129.4120 58.6805 30.8900 176.0284 43 T 3.8275 7.2990 122.1484 61.3918 69.9708 172.5985 44 P 3.6417 0.0000 0.0000 64.0443 31.2220 176.6647 45 N 4.7286 7.5829 114.7554 52.5910 38.5543 175.6238 46 V 3.7239 7.4768 118.0312 62.9794 32.8688 176.4453 47 A 3.7027 8.0185 119.7918 52.6666 14.6392 179.4414 48 M 4.5593 7.5440 119.4017 53.4680 30.8067 175.2574 49 G 4.7856 7.4490 111.1190 43.2762 0.0000 170.1074 50 D 4.8671 8.3086 118.8965 53.8125 41.9092 176.6368 51 F 4.1281 8.3697 120.2544 57.0559 40.5964 174.9331 52 V 4.4799 8.3050 121.1415 61.1237 35.0064 174.1634 53 V 4.8883 8.6008 127.5917 61.3215 33.8020 174.2680 54 V 4.7417 8.8622 129.7602 61.7274 32.9571 175.2358 55 V 4.6262 8.6897 127.6391 59.7600 34.4698 174.4736 56 N 5.0920 8.9458 116.8407 53.5955 37.1916 175.0265 57 A 4.3528 8.0837 124.0139 52.5696 19.3151 177.1410 58 D 4.0136 9.6051 112.7606 53.9683 40.8519 176.0936 59 K 4.2255 8.9333 113.3184 57.8900 31.4652 175.4733 60 I 3.9492 8.7180 111.8836 61.4223 37.7881 176.5051 61 R 4.5616 8.6769 124.5082 55.4956 32.6110 175.6626 62 V 4.3461 7.9807 114.3663 61.5653 33.2739 173.2354 63 T 3.9632 8.6098 116.7723 63.1504 68.7437 172.5417 64 G 3.6702 8.2554 107.4251 47.4514 0.0000 174.0138 65 K 4.3513 8.7503 122.8694 57.3313 32.7172 179.7853 66 K 4.9588 7.6189 120.8010 59.4343 32.2470 178.0584 67 L 3.9275 8.1463 118.6530 57.6475 41.7845 179.1406 68 E 4.2414 9.0762 117.0834 58.1533 30.3858 177.6156 69 Q 4.0281 7.8762 116.6698 58.3911 29.4432 175.8853 70 K 3.9592 7.9347 117.4441 56.8851 33.2054 174.6264 71 I 5.1819 8.4176 127.0695 59.8837 40.2654 174.5697 72 Y 4.6734 9.7644 126.0543 57.5630 39.5870 174.8274 73 T 4.9721 8.3293 117.9606 62.2248 72.5245 174.6327 74 R 4.4443 8.3842 123.7089 55.3850 33.0210 173.6260 75 Y 4.7081 8.5424 126.1314 56.3779 39.1320 175.3354 76 S 4.5389 8.7185 130.7039 58.6214 62.6132 175.5816 77 G 3.5638 8.6286 104.5090 46.5781 0.0000 172.9894 78 Y 4.2043 7.9813 116.0451 56.5773 38.5499 173.9037 79 P 4.4416 0.0000 0.0000 63.8101 31.8520 176.6960 80 G 4.0785 8.8969 109.3277 47.0322 0.0000 173.9158 81 G 4.2464 7.9510 105.1286 44.5830 0.0000 176.2895 82 L 3.8684 8.3709 122.9666 56.2581 42.6953 176.3830 83 K 3.6742 7.8217 113.2132 57.1650 29.6608 172.1623 84 K 4.9895 8.2332 124.7169 54.9825 35.1554 175.6390 85 I 4.7907 8.7123 122.8572 58.9532 41.0185 173.5029 86 P 4.8590 0.0000 0.0000 61.8672 32.6285 175.9731 87 L 3.5802 8.5727 122.3362 58.1918 41.6625 178.1804 88 E 3.6947 7.5504 115.3934 59.6818 28.9414 179.8216 89 K 4.1653 7.6804 121.8609 60.5709 32.7431 177.9071 90 M 4.0722 7.8960 118.9930 57.4242 31.5404 178.2920 91 L 3.9457 7.7550 119.9566 58.3363 42.1435 178.5874 92 A 4.3716 7.9074 117.5763 52.8123 18.2441 177.0269 93 T 4.5139 9.1543 111.1690 64.2790 72.7591 174.7194 94 H 5.3148 7.9038 116.1462 51.8956 29.6856 172.5471 95 P 4.2940 0.0000 0.0000 66.0556 30.9299 177.9720 96 E 4.0275 8.1666 116.9107 59.7003 29.5999 178.9464 97 R 4.0089 8.0993 119.5966 58.8215 30.1657 178.9216 98 V 3.9068 7.5241 116.5477 66.3106 31.5328 177.9475 99 L 4.0727 7.9324 119.2979 58.3627 42.0911 177.6156 100 E 4.0053 8.8572 118.3157 60.2156 29.4267 178.5917 101 H 3.9813 9.3267 117.6332 59.6069 29.8535 177.0239 102 A 3.9078 7.6269 120.5316 55.4515 18.2055 179.6234 103 V 3.6452 8.0250 116.2245 66.0132 31.7256 177.8168 104 K 4.0243 8.1518 119.7036 59.7970 31.7114 178.3943 105 G 3.6631 7.8260 103.2718 46.6745 0.0000 174.2638 106 M 4.4147 8.6907 120.0973 54.1609 33.0271 175.4485 107 L 4.5857 7.1380 119.9621 52.1715 43.6175 174.7153 108 P 4.3496 0.0000 0.0000 62.8912 31.9974 177.3551 109 K 4.0395 8.5243 119.2077 58.7047 32.7100 178.5193 110 G 3.8885 7.7601 105.1790 43.6517 0.0000 171.8557 111 P 4.3258 0.0000 0.0000 65.2100 31.0184 178.7547 112 L 4.0160 7.8774 119.1456 58.0195 42.1832 178.6282 113 G 4.3209 8.0589 106.5362 47.5275 0.0000 175.6000 114 R 4.0372 7.8467 119.2724 58.9225 30.5438 178.8656 115 R 4.0359 8.0150 118.5299 59.1170 29.9163 178.6312 116 L 3.9758 8.1066 119.4073 57.4919 41.4623 178.8965 117 F 4.1603 7.8896 119.1980 60.9836 38.9674 176.7612 118 K 3.9488 7.6241 116.3576 58.0003 31.9376 178.1797 119 R 3.5154 7.5913 118.2064 55.5731 29.8091 174.8995 120 L 4.8957 7.0021 119.7371 53.0908 44.3221 175.7286 121 K 4.3098 9.3741 126.6444 54.6288 34.4297 175.2910 122 V 4.6465 7.8987 125.3340 61.2255 33.3678 174.2859 123 Y 4.9339 8.8977 124.8734 55.9719 41.4222 176.7134 124 A 3.8260 9.4054 123.8792 54.4032 19.4498 178.5926 125 G 3.8313 7.9466 101.4360 44.5622 0.0000 172.0386 126 P 4.4439 0.0000 0.0000 63.4641 31.8748 175.1133 127 D 4.8035 9.1081 118.3255 55.0187 39.8904 174.2438 128 H 4.3095 8.1130 117.8411 52.7321 30.2343 171.9919 129 P 4.2329 0.0000 0.0000 62.4893 31.5127 175.6475 130 H 4.3079 10.7322 110.1411 55.9136 31.4049 172.8052 131 Q 4.2448 8.6232 125.1824 54.5891 30.1807 175.9275 132 A 4.2327 7.7743 130.7175 50.9192 19.4288 174.7227 133 Q 3.6980 7.4263 123.3971 54.5338 29.8150 172.7369 134 R 5.6072 8.1552 127.7850 55.7759 29.5337 172.9784 135 P 4.2555 0.0000 0.0000 63.4694 32.8981 177.1658 136 E 4.3703 8.8551 126.1594 56.3877 30.0678 175.7670 137 K 4.6494 9.3901 127.4484 54.7436 35.8048 175.9668 138 L 4.4391 8.4742 126.1878 53.1582 41.7644 177.3773 *139 E 4.1515 8.3433 117.6170 55.8600 30.3597 175.3764 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 M 8.30 4.37 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 K 7.79 4.26 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.51 7.81 3 T 8.67 3.99 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 1.27 0.00 0.00 4 Y 8.63 4.20 0.00 3.04 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 5 V 6.46 3.98 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 0.71 0.00 0.00 0.81 0.00 0.00 6 P 0.00 4.93 0.00 2.05 2.13 0.00 3.62 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 7 K 8.56 4.54 0.00 1.80 1.65 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.38 7.81 8 Q 7.97 4.18 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 V 8.10 4.13 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 0.79 0.00 0.00 1.11 0.00 0.00 10 E 8.52 4.12 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 2.33 2.42 0.00 11 P 0.00 4.64 0.00 2.44 2.26 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 12 R 8.58 4.55 0.00 2.02 2.19 0.00 3.01 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 13 W 9.05 4.84 0.00 3.23 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 14 V 8.45 4.84 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 1.00 0.00 0.00 1.01 0.00 0.00 15 L 8.50 5.27 0.00 1.74 1.50 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 I 9.02 4.77 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.25 0.94 0.00 0.00 17 D 9.14 5.43 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.68 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 19 E 8.11 4.10 0.00 2.10 2.47 0.00 0.00 0.00 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 2.38 0.00 20 G 7.91 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 21 K 8.39 4.54 0.00 1.67 1.75 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.57 7.81 22 T 8.29 4.64 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 23 L 7.96 4.08 0.00 1.64 1.64 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.20 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 0.00 0.00 0.00 0.00 25 R 8.23 4.41 0.00 1.93 1.98 0.00 3.30 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 1.58 1.75 0.00 26 L 7.68 4.41 0.00 1.74 1.77 0.93 1.00 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 27 A 8.11 3.96 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 28 T 7.99 3.71 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 1.28 0.00 0.00 29 K 7.65 4.01 0.00 2.02 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.33 7.81 30 I 7.77 3.71 2.00 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 1.46 0.73 0.90 0.00 0.00 31 A 7.98 4.16 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 32 T 7.96 3.73 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 1.09 0.00 0.00 33 L 8.09 4.03 0.00 2.01 1.70 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.11 4.09 0.00 1.85 1.69 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.69 4.61 0.00 2.20 2.14 0.00 3.01 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 36 G 7.56 3.52 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 0.00 0.00 0.00 0.00 37 K 7.73 3.64 0.00 1.29 1.42 0.00 1.20 0.00 0.00 1.39 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.63 0.21 7.81 38 H 7.54 4.64 0.00 3.25 3.35 0.00 5.58 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 39 R 7.66 4.24 0.00 2.38 2.23 0.00 3.26 0.00 0.00 3.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 40 P 0.00 4.40 0.00 2.29 2.38 0.00 3.74 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 2.11 2.02 0.00 41 D 8.16 5.03 0.00 2.82 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 42 W 7.67 4.61 0.00 3.21 3.08 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 43 T 7.30 3.83 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 1.02 0.00 0.00 44 P 0.00 3.64 0.00 2.03 2.02 0.00 3.19 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 45 N 7.58 4.73 0.00 2.71 2.82 0.00 0.00 6.03 7.68 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 46 V 7.48 3.72 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 0.63 0.00 0.00 0.88 0.00 0.00 47 A 8.02 3.70 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 48 M 7.54 4.56 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 49 G 7.45 4.79 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 50 D 8.31 4.87 0.00 2.61 2.75 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 0.00 51 F 8.37 4.13 0.00 1.51 1.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.48 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 0.94 0.00 0.00 0.94 0.00 0.00 53 V 8.60 4.89 2.18 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 1.27 0.00 0.00 1.33 0.00 0.00 54 V 8.86 4.74 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 1.04 0.00 0.00 0.94 0.00 0.00 55 V 8.69 4.63 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 0.75 0.00 0.00 1.02 0.00 0.00 56 N 8.95 5.09 0.00 2.86 3.16 0.00 0.00 7.31 7.96 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 57 A 8.08 4.35 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 58 D 9.61 4.01 0.00 2.92 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 59 K 8.93 4.23 0.00 2.01 2.18 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 60 I 8.72 3.95 1.89 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 1.34 0.55 1.00 0.00 0.00 61 R 8.68 4.56 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 62 V 7.98 4.35 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 0.64 0.00 0.00 0.96 0.00 0.00 63 T 8.61 3.96 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 64 G 8.26 3.67 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 0.00 0.00 0.00 65 K 8.75 4.35 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 66 K 7.62 4.96 0.00 1.86 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.65 7.81 67 L 8.15 3.93 0.00 1.73 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.08 4.24 0.00 1.79 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 2.44 2.25 0.00 69 Q 7.88 4.03 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 70 K 7.93 3.96 0.00 1.99 1.86 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.83 7.81 71 I 8.42 5.18 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.97 0.00 0.00 72 Y 9.76 4.67 0.00 2.93 2.79 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 73 T 8.33 4.97 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 1.31 0.00 0.00 74 R 8.38 4.44 0.00 1.62 1.85 0.00 3.16 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 75 Y 8.54 4.71 0.00 2.92 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 76 S 8.72 4.54 0.00 3.95 3.61 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 77 G 8.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.20 0.00 2.95 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 79 P 0.00 4.44 0.00 2.11 2.04 0.00 4.00 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 80 G 8.90 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 0.00 0.00 0.00 81 G 7.95 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 0.00 0.00 0.00 0.00 82 L 8.37 3.87 0.00 1.69 1.77 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.82 3.67 0.00 1.93 1.98 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 84 K 8.23 4.99 0.00 1.81 1.79 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.46 7.81 85 I 8.71 4.79 1.90 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 1.29 1.06 0.86 0.00 0.00 86 P 0.00 4.86 0.00 2.03 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 87 L 8.57 3.58 0.00 1.63 1.79 0.92 0.76 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 88 E 7.55 3.69 0.00 2.03 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 0.00 2.26 2.62 0.00 89 K 7.68 4.17 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.51 7.81 90 M 7.90 4.07 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.51 0.00 91 L 7.76 3.95 0.00 1.71 1.75 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.91 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 9.15 4.51 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 1.24 0.00 0.00 94 H 7.90 5.31 0.00 3.19 3.26 0.00 5.98 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 95 P 0.00 4.29 0.00 2.28 2.48 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 96 E 8.17 4.03 0.00 2.18 2.27 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 2.40 2.36 0.00 97 R 8.10 4.01 0.00 2.11 2.16 0.00 3.19 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 98 V 7.52 3.91 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 1.10 0.00 0.00 0.91 0.00 0.00 99 L 7.93 4.07 0.00 1.77 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.86 4.01 0.00 2.25 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 0.00 2.44 2.49 0.00 101 H 9.33 3.98 0.00 3.21 3.45 0.00 5.81 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 0.00 102 A 7.63 3.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.02 3.65 2.29 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 1.03 0.00 0.00 1.00 0.00 0.00 104 K 8.15 4.02 0.00 1.21 1.86 0.00 1.33 0.00 0.00 1.38 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.20 7.81 105 G 7.83 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 0.00 106 M 8.69 4.41 0.00 1.81 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 107 L 7.14 4.59 0.00 1.83 1.59 1.03 0.88 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 0.00 108 P 0.00 4.35 0.00 2.19 2.03 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 109 K 8.52 4.04 0.00 1.73 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 G 7.76 3.89 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 0.00 0.00 0.00 111 P 0.00 4.33 0.00 2.16 2.12 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 112 L 7.88 4.02 0.00 1.74 1.64 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.06 4.32 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 0.00 114 R 7.85 4.04 0.00 1.96 2.03 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 115 R 8.01 4.04 0.00 2.09 1.99 0.00 3.08 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 116 L 8.11 3.98 0.00 1.91 1.65 0.95 1.00 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 0.00 117 F 7.89 4.16 0.00 2.91 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 0.00 118 K 7.62 3.95 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.70 7.81 119 R 7.59 3.52 0.00 1.34 0.66 0.00 2.21 0.00 0.00 2.75 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 120 L 7.00 4.90 0.00 1.44 1.37 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.37 4.31 0.00 1.91 1.75 0.00 1.75 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.88 7.81 122 V 7.90 4.65 1.94 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 0.79 0.00 0.00 0.88 0.00 0.00 123 Y 8.90 4.93 0.00 3.05 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 0.00 124 A 9.41 3.83 1.35 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 0.00 125 G 7.95 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 0.00 0.00 0.00 126 P 0.00 4.44 0.00 2.22 2.13 0.00 3.79 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 2.01 2.02 0.00 127 D 9.11 4.80 0.00 2.76 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 0.00 128 H 8.11 4.31 0.00 3.04 3.27 0.00 5.49 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.23 0.00 2.11 2.12 0.00 2.60 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 130 H 10.73 4.31 0.00 3.16 3.20 0.00 5.50 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.62 4.24 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 132 A 7.77 4.23 0.59 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 0.00 0.00 133 Q 7.43 3.70 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.80 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 134 R 8.16 5.61 0.00 2.10 2.06 0.00 3.14 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 135 P 0.00 4.26 0.00 2.14 2.12 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 136 E 8.86 4.37 0.00 2.00 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 0.00 2.31 2.48 0.00 137 K 9.39 4.65 0.00 1.73 1.63 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 138 L 8.47 4.44 0.00 1.63 1.57 0.93 0.86 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 *139 E 8.34 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.