NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5479 8.2649 123.5863 52.0539 19.2020 174.8144 2 T 4.6457 8.9186 118.0250 60.8619 72.3066 171.4955 3 K 5.3012 8.9643 125.0577 54.9004 37.2572 174.5437 4 A 5.4330 9.1816 123.6208 50.9428 23.5002 175.1765 5 V 5.0130 8.7713 117.2597 60.9451 35.5435 173.5258 6 C 4.9321 9.0499 122.0157 58.2054 35.5093 172.6194 7 V 4.5023 8.5130 126.3676 61.8306 32.9751 174.1500 8 L 4.9917 8.8662 128.9310 53.4970 43.2950 175.9602 9 K 4.9106 9.0974 122.4699 55.2046 36.7900 176.2192 10 G 4.2541 8.0701 109.7655 45.3279 0.0000 172.3022 11 D 4.6537 8.8241 118.8446 55.0490 42.1861 176.8422 12 G 4.2886 7.5570 109.3625 44.3519 0.0000 171.4618 13 P 4.4094 0.0000 0.0000 63.7777 32.1281 176.3963 14 V 4.2852 7.5588 120.5985 62.7091 32.1385 174.9628 15 Q 4.8328 8.7790 124.9248 55.4778 32.4707 173.5242 16 G 4.3096 8.5548 106.7505 46.1284 0.0000 172.0097 17 I 5.1330 8.4274 119.7149 59.5339 41.3271 174.9739 18 I 4.6917 8.6916 127.2065 59.4525 40.5528 174.2578 19 N 5.0860 8.4230 124.1646 51.3494 41.3329 173.8534 20 F 5.3573 9.1026 120.1244 55.7823 43.2505 173.7228 21 E 5.0889 9.5615 123.2742 54.6536 33.3658 173.7173 22 Q 4.8271 9.4197 127.8775 54.3559 31.2184 175.9637 23 K 4.0805 9.0569 127.5117 58.4495 32.7323 177.5664 24 E 4.7815 7.7763 115.0447 54.0299 32.2546 176.6822 25 S 4.3000 8.8378 116.8439 61.0138 63.0418 174.5891 26 N 4.9862 7.9822 116.9847 52.8089 39.5599 174.5417 27 G 4.0239 8.1720 108.9918 43.2710 0.0000 172.3649 28 P 4.6081 0.0000 0.0000 62.8914 32.2265 175.9211 29 V 4.5954 8.8509 122.2266 61.2467 33.6097 174.4501 30 K 4.8357 9.0577 130.1311 55.9069 33.7872 175.3773 31 V 4.7333 9.1439 127.7503 60.7846 34.1173 174.1674 32 W 6.1704 8.0357 124.0624 54.5191 31.8550 175.6081 33 G 3.8231 7.9110 106.7571 46.3561 0.0000 170.6928 34 S 5.1177 7.8452 114.5516 57.0478 66.6605 174.4338 35 I 5.2039 8.7777 125.8839 59.3566 40.9781 174.6066 36 K 4.8182 9.2528 125.0876 55.5673 36.3475 176.7259 37 G 3.6196 8.8087 106.2020 45.9707 0.0000 173.5562 38 L 4.4453 7.6831 119.8961 52.9744 43.1282 176.3661 39 T 4.3483 8.0555 110.3488 60.9431 69.6325 174.2389 40 E 4.1980 8.5734 124.7836 56.5641 30.6156 175.8765 41 G 3.7361 8.0811 112.1169 44.3112 0.0000 171.8757 42 L 4.8880 8.1564 120.4876 54.3787 43.0985 176.3274 43 H 5.0025 9.2520 119.9662 53.5820 32.6658 173.4086 44 G 3.9902 9.0977 111.0531 46.7472 0.0000 172.5180 45 F 5.4749 9.1789 124.5679 56.9362 42.2872 172.9470 46 H 5.1571 9.0438 122.9743 53.9590 33.4808 172.9043 47 V 4.4250 8.5514 122.1325 62.2991 32.6786 175.0105 48 H 4.9998 9.2749 125.7607 54.5737 30.4853 176.1343 49 E 3.7671 8.7934 122.3031 58.8362 30.0192 177.0757 50 F 5.0083 8.0602 118.2839 54.9178 41.5643 176.8714 51 G 4.1132 8.4014 111.7099 44.5606 0.0000 174.3738 52 D 4.6782 7.9828 118.8736 52.7356 41.7441 174.3640 53 N 5.1744 8.7382 123.4075 52.5796 39.3204 175.5387 54 T 3.9657 8.3500 108.7371 63.9442 69.0837 174.5904 55 A 4.7545 7.9852 125.7571 51.5848 20.4013 177.2052 56 G 3.8331 7.6489 114.5237 48.5514 0.0000 177.9483 57 C 4.5186 8.6340 121.0927 57.8885 40.7163 175.2818 58 T 3.8221 7.5553 117.3203 66.7105 67.8070 175.4866 59 S 4.3236 8.0174 113.7850 59.7825 63.6635 175.3417 60 A 4.2222 7.4571 123.5532 52.3985 18.5254 178.5310 61 G 4.0513 7.5005 105.0395 43.7547 0.0000 170.8281 62 P 4.6934 0.0000 0.0000 62.0100 33.6178 175.1472 63 H 4.3101 8.4225 116.5703 55.6408 29.4962 175.6311 64 F 4.2934 9.0510 125.5935 57.8437 40.2430 175.1930 65 N 4.9491 7.7912 126.0733 51.6148 38.7572 173.2059 66 P 4.1933 0.0000 0.0000 64.8863 32.0264 177.6760 67 L 4.3855 7.5271 116.9109 53.6618 42.2466 176.0915 68 S 3.5966 7.5816 113.5380 59.7656 60.5645 171.7198 69 R 4.4427 8.1449 118.1910 54.6412 32.3417 176.4044 70 K 4.4519 8.7717 118.9837 55.5813 34.0961 176.1988 71 H 4.0991 8.5828 122.2489 56.7628 30.2466 175.1488 72 G 4.0106 7.5318 110.5759 46.0458 0.0000 171.9558 73 G 4.2183 8.9262 110.2857 42.9442 0.0000 173.0686 74 P 4.4004 0.0000 0.0000 64.9653 31.3680 177.4247 75 K 4.3087 7.9101 116.2429 56.6364 32.5585 176.2661 76 D 4.7136 7.6468 119.5655 53.1580 41.9149 176.3952 77 E 3.9183 8.7384 123.5238 59.0942 29.5024 176.8674 78 E 4.2718 7.9247 122.3596 54.9876 28.4055 174.6935 79 R 4.7622 7.5295 119.1446 54.9179 32.6220 175.0041 80 H 4.5141 9.0883 116.7555 55.1309 29.6064 176.9437 81 V 3.4653 8.3192 121.9800 66.4817 31.3538 177.2320 82 G 3.8991 8.3448 104.4693 47.0582 0.0000 173.4288 83 D 4.9317 8.1190 121.8976 53.1760 39.8134 175.7812 84 L 4.5325 8.4831 120.2584 52.8903 42.7713 177.6517 85 G 4.1287 8.5691 110.6280 46.3268 0.0000 175.1345 86 N 5.6420 8.6639 119.8347 51.3363 42.2386 172.9728 87 V 4.2658 8.5415 114.5369 60.1893 35.1979 175.0061 88 T 5.0057 8.1559 117.6676 61.9178 71.4239 173.0662 89 A 4.9134 8.9961 129.4742 50.7237 21.1653 176.9414 90 D 5.0855 8.6089 121.4248 51.8609 41.3867 177.4182 91 K 4.0416 8.4441 117.6979 58.8436 31.9694 177.7953 92 D 4.4611 8.2183 116.7464 53.4607 40.0836 177.1731 93 G 4.2172 8.5511 109.2659 44.6872 0.0000 172.4583 94 V 4.7743 7.9871 119.5112 60.9567 33.8112 174.1760 95 A 5.3972 8.8955 129.9504 49.6090 21.0872 174.9809 96 D 4.8650 8.6809 123.2344 53.6121 42.2434 176.1661 97 V 4.2118 8.7265 124.7357 61.2722 33.4773 174.7699 98 S 5.0177 8.4056 122.3248 57.4506 65.2475 173.0427 99 I 4.8129 9.2684 127.9665 59.5488 41.2710 174.1021 100 E 5.2450 8.9029 124.6215 54.6677 32.1518 174.9302 101 D 4.8644 9.3379 123.2880 52.7107 44.8389 175.7604 102 S 4.6886 8.9372 119.5230 58.5034 63.8029 174.6681 103 V 4.1230 8.0322 120.6762 64.4320 32.2701 176.5052 104 I 4.0177 7.8377 111.5455 61.1550 37.8866 174.7361 105 S 4.6793 8.2511 114.7517 57.2914 65.4948 173.5201 106 L 4.5781 8.8123 122.7024 54.1616 41.4805 176.3719 107 S 4.4906 7.8766 112.2421 58.0776 66.2863 175.4776 108 G 3.8532 8.5176 108.6271 45.0776 0.0000 173.5705 109 D 4.2652 8.7546 117.1249 56.9693 41.5836 176.9121 110 H 4.6772 7.7150 114.5295 54.5540 28.1519 175.6959 *112 I 3.7670 8.0188 117.9641 59.6798 39.2761 175.9199 113 I 3.6773 7.3393 122.8507 62.9316 37.5593 176.2438 114 G 3.8005 9.4664 113.4877 45.2965 0.0000 172.8837 115 R 4.8999 7.4189 118.8326 54.8687 33.5215 174.7318 116 T 4.9585 8.0310 115.8588 61.9889 70.9874 173.8824 117 L 4.7563 8.6163 128.7851 54.0266 44.0250 175.3714 118 V 4.9667 8.8014 125.7456 61.0126 35.1853 174.1872 119 V 5.1084 8.6367 126.7970 60.4972 33.7473 174.6463 120 H 5.2691 8.8648 120.8762 53.9905 30.8469 174.4954 121 E 4.1863 9.2324 121.9971 58.9635 30.0622 176.5490 122 K 4.7719 8.4797 117.3203 53.7660 36.0850 175.4065 123 A 4.4946 8.2886 122.3020 52.1062 19.6143 176.3263 124 D 4.9384 9.2912 122.5914 53.8918 41.9909 175.9464 125 D 4.6086 9.3690 125.0397 53.0344 39.4659 176.8003 126 L 3.7743 9.9860 119.3326 56.0198 39.6366 176.1788 127 G 4.2982 8.7450 109.7913 45.3946 0.0000 174.7771 128 K 4.6915 8.0218 117.5850 55.6159 32.7796 176.5619 129 G 4.0887 8.0360 107.9070 44.6129 0.0000 174.4581 130 G 3.8547 9.2941 106.3708 45.4215 0.0000 171.9975 131 N 5.0008 7.6310 115.1712 49.8349 40.8676 174.3755 132 E 4.0398 8.7671 117.8212 59.4163 29.5032 178.0690 133 E 3.9641 8.1841 118.8160 59.0839 29.5188 178.4137 134 S 4.1113 8.3831 113.7814 61.3781 62.4473 175.4166 135 T 4.3578 7.8388 109.6405 62.2276 68.5664 175.2843 136 K 4.2945 7.7113 119.0999 57.9726 34.3197 177.0001 137 T 4.0199 8.1660 105.7696 60.4487 70.6181 175.2101 138 G 3.8632 7.9793 109.1304 44.4360 0.0000 172.7252 139 N 4.2497 7.7346 114.7625 54.3790 36.6527 174.5409 140 A 4.5948 7.4651 116.9779 50.9256 19.6292 179.6377 141 G 3.6433 7.9102 106.5099 45.2737 0.0000 173.6507 142 S 4.2743 8.6427 113.6365 58.8555 63.8647 175.3542 143 R 4.3682 8.4028 123.4335 55.3794 29.6291 176.2738 144 L 4.3358 8.8651 125.8537 57.2519 43.1370 177.0976 145 A 5.0191 7.6648 117.9174 51.4133 22.8489 173.9443 146 C 5.4308 8.5231 113.2789 56.1910 47.0410 172.5672 147 G 4.6531 8.0656 104.6758 46.4449 0.0000 172.2001 148 V 4.5868 8.2224 120.2762 61.8394 32.9145 175.3597 149 I 4.1431 8.7789 129.5777 61.0194 38.0643 175.3580 150 G 4.4096 9.0820 114.5999 43.9748 0.0000 172.4015 151 I 4.3060 8.3010 121.5761 61.1100 37.7204 175.4156 152 A 4.8195 8.5119 127.6471 49.5227 22.2513 176.2286 153 Q 4.0702 8.5205 118.6267 56.5007 29.1839 176.0174 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 A 8.26 4.55 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 2 T 8.92 4.65 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 1.22 0.00 0.00 3 K 8.96 5.30 0.00 1.70 1.71 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.48 7.81 4 A 9.18 5.43 1.16 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 5 V 8.77 5.01 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 0.74 0.00 0.00 0.92 0.00 0.00 6 C 9.05 4.93 0.00 3.15 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 7 V 8.51 4.50 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.87 4.99 0.00 1.72 1.59 1.05 0.66 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 9 K 9.10 4.91 0.00 1.64 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.07 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 11 D 8.82 4.65 0.00 2.68 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 12 G 7.56 4.29 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 0.00 13 P 0.00 4.41 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 14 V 7.56 4.29 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 0.79 0.00 0.00 0.93 0.00 0.00 15 Q 8.78 4.83 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.36 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 G 8.55 4.31 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 0.00 17 I 8.43 5.13 1.79 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 1.20 0.90 0.78 0.00 0.00 18 I 8.69 4.69 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.45 0.00 0.00 19 N 8.42 5.09 0.00 1.44 2.01 0.00 0.00 6.38 8.00 0.00 0.00 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 F 9.10 5.36 0.00 2.91 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 21 E 9.56 5.09 0.00 2.18 1.89 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 2.29 2.34 0.00 22 Q 9.42 4.83 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 23 K 9.06 4.08 0.00 1.82 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 E 7.78 4.78 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 25 S 8.84 4.30 0.00 3.88 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 26 N 7.98 4.99 0.00 2.63 2.74 0.00 0.00 6.88 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 27 G 8.17 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 28 P 0.00 4.61 0.00 2.13 2.11 0.00 3.77 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 2.02 1.99 0.00 29 V 8.85 4.60 2.21 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 1.28 0.00 0.00 1.04 0.00 0.00 30 K 9.06 4.84 0.00 2.24 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.69 1.49 7.81 31 V 9.14 4.73 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 0.75 0.00 0.00 1.06 0.00 0.00 32 W 8.04 6.17 0.00 3.37 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 33 G 7.91 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 0.00 0.00 0.00 34 S 7.85 5.12 0.00 3.91 3.64 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 0.00 0.00 0.00 0.00 35 I 8.78 5.20 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.88 0.00 0.00 36 K 9.25 4.82 0.00 1.71 1.87 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.81 3.62 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 0.00 0.00 0.00 38 L 7.68 4.45 0.00 1.78 1.40 0.80 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.06 4.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 40 E 8.57 4.20 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 41 G 8.08 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.16 4.89 0.00 1.51 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.25 5.00 0.00 3.01 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.10 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 45 F 9.18 5.47 0.00 2.96 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 46 H 9.04 5.16 0.00 3.17 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.55 4.42 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 0.90 0.00 0.00 0.87 0.00 0.00 48 H 9.27 5.00 0.00 3.02 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.79 3.77 0.00 1.65 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.20 0.00 50 F 8.06 5.01 0.00 3.02 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 51 G 8.40 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.98 4.68 0.00 2.64 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 53 N 8.74 5.17 0.00 2.68 2.75 0.00 0.00 7.37 7.70 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 54 T 8.35 3.97 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 1.25 0.00 0.00 55 A 7.99 4.75 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 56 G 7.65 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 57 C 8.63 4.52 0.00 2.98 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 58 T 7.56 3.82 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 S 8.02 4.32 0.00 4.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.46 4.22 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 61 G 7.50 4.05 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 0.00 0.00 0.00 62 P 0.00 4.69 0.00 2.03 2.19 0.00 3.41 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 63 H 8.42 4.31 0.00 2.74 3.15 0.00 5.72 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 64 F 9.05 4.29 0.00 2.92 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 65 N 7.79 4.95 0.00 2.55 2.42 0.00 0.00 6.93 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 66 P 0.00 4.19 0.00 2.05 1.94 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.24 0.00 67 L 7.53 4.39 0.00 1.52 1.63 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.58 3.60 0.00 3.99 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 69 R 8.14 4.44 0.00 1.86 2.00 0.00 3.35 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 70 K 8.77 4.45 0.00 1.72 1.82 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.36 7.81 71 H 8.58 4.10 0.00 3.18 3.17 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.53 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.93 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 0.00 0.00 0.00 0.00 74 P 0.00 4.40 0.00 2.23 2.37 0.00 3.78 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 2.02 2.05 0.00 75 K 7.91 4.31 0.00 1.77 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 76 D 7.65 4.71 0.00 2.77 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 77 E 8.74 3.92 0.00 1.91 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 2.28 2.23 0.00 78 E 7.92 4.27 0.00 2.05 1.81 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 2.31 2.29 0.00 79 R 7.53 4.76 0.00 1.95 1.87 0.00 2.87 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 80 H 9.09 4.51 0.00 3.42 3.35 0.00 5.65 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 81 V 8.32 3.47 1.59 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 0.87 0.00 0.00 0.62 0.00 0.00 82 G 8.34 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 83 D 8.12 4.93 0.00 2.71 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 84 L 8.48 4.53 0.00 1.80 1.91 0.91 0.98 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 85 G 8.57 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 86 N 8.66 5.64 0.00 2.58 2.69 0.00 0.00 6.67 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 87 V 8.54 4.27 1.81 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 -0.22 0.00 0.00 0.78 0.00 0.00 88 T 8.16 5.01 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 1.20 0.00 0.00 89 A 9.00 4.91 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 90 D 8.61 5.09 0.00 2.91 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 91 K 8.44 4.04 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.37 7.81 92 D 8.22 4.46 0.00 2.76 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 93 G 8.55 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 0.00 0.00 0.00 0.00 94 V 7.99 4.77 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 1.00 0.00 0.00 0.96 0.00 0.00 95 A 8.90 5.40 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 96 D 8.68 4.86 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.73 4.21 1.99 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 0.76 0.00 0.00 0.65 0.00 0.00 98 S 8.41 5.02 0.00 3.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.27 4.81 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 1.02 0.00 0.00 100 E 8.90 5.25 0.00 1.85 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 2.24 2.24 0.00 101 D 9.34 4.86 0.00 2.81 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 0.00 102 S 8.94 4.69 0.00 3.91 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 0.00 103 V 8.03 4.12 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 0.82 0.00 0.00 0.95 0.00 0.00 104 I 7.84 4.02 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 1.03 0.00 0.00 105 S 8.25 4.68 0.00 3.79 3.85 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 0.00 106 L 8.81 4.58 0.00 1.77 1.62 1.03 0.57 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 0.00 107 S 7.88 4.49 0.00 3.93 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 0.00 108 G 8.52 3.85 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 0.00 0.00 0.00 109 D 8.75 4.27 0.00 2.68 2.80 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 0.00 110 H 7.71 4.68 0.00 3.32 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.02 3.77 1.60 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.19 0.96 0.00 0.00 113 I 7.34 3.68 1.77 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 1.19 0.36 0.83 0.00 0.00 114 G 9.47 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 0.00 0.00 0.00 115 R 7.42 4.90 0.00 1.60 1.83 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 116 T 8.03 4.96 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 1.25 0.00 0.00 117 L 8.62 4.76 0.00 1.77 1.53 0.45 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.80 4.97 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 0.79 0.00 0.00 0.83 0.00 0.00 119 V 8.64 5.11 2.28 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 0.82 0.00 0.00 0.99 0.00 0.00 120 H 8.86 5.27 0.00 3.29 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.23 4.19 0.00 2.09 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 2.36 2.34 0.00 122 K 8.48 4.77 0.00 1.70 1.68 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.53 7.81 123 A 8.29 4.49 1.23 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 0.00 0.00 124 D 9.29 4.94 0.00 2.76 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 0.00 125 D 9.37 4.61 0.00 2.94 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 0.00 126 L 9.99 3.77 0.00 1.86 1.79 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.74 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.02 4.69 0.00 1.86 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.35 7.81 129 G 8.04 4.09 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 0.00 0.00 0.00 130 G 9.29 3.85 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 0.00 0.00 0.00 131 N 7.63 5.00 0.00 2.76 2.77 0.00 0.00 6.17 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 0.00 132 E 8.77 4.04 0.00 2.05 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 2.37 2.36 0.00 133 E 8.18 3.96 0.00 2.07 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 2.39 2.35 0.00 134 S 8.38 4.11 0.00 4.06 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 0.00 135 T 7.84 4.36 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 1.21 0.00 0.00 136 K 7.71 4.29 0.00 1.69 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.36 7.81 137 T 8.17 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 138 G 7.98 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 0.00 139 N 7.73 4.25 0.00 3.02 2.91 0.00 0.00 6.81 7.39 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 0.00 140 A 7.47 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.91 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.64 4.27 0.00 3.93 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 0.00 143 R 8.40 4.37 0.00 1.69 1.79 0.00 3.22 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 144 L 8.87 4.34 0.00 1.70 1.69 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.66 5.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.52 5.43 0.00 3.04 3.13 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 0.00 147 G 8.07 4.65 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 0.00 148 V 8.22 4.59 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 0.83 0.00 0.00 0.92 0.00 0.00 149 I 8.78 4.14 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.37 0.47 0.00 0.00 150 G 9.08 4.41 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 0.00 151 I 8.30 4.31 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.51 4.82 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 0.00 153 Q 8.52 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.