NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 G 3.9502 8.3549 109.7397 45.1393 0.0000 173.0896 -5 L 4.5018 8.2041 119.8883 53.7830 42.7344 171.4581 -4 V 4.6314 9.2909 116.0109 58.6962 36.6721 173.0023 -3 P 4.9078 0.0000 0.0000 63.1327 31.9231 175.9206 -2 R 4.6148 9.0835 121.9828 54.8049 35.5606 174.2600 -1 G 4.0434 8.5454 108.5918 45.1414 0.0000 175.8308 0 S 4.2884 8.5320 124.5803 57.9531 61.7937 175.1842 -4 I 4.6814 9.2609 116.7109 57.5962 42.5721 173.1023 -2 K 4.5948 9.1435 121.8828 55.0049 37.7606 174.5600 -1 D 4.7234 8.5554 120.1918 54.2414 41.2725 177.2308 0 G 3.7784 8.5520 117.6803 44.7531 0.0000 175.4842 7 I 4.8448 7.8063 121.5449 59.7090 39.7098 174.7525 8 Y 5.0682 9.2483 124.4365 56.1926 41.5400 174.7333 9 S 5.0747 8.8544 117.4192 57.3821 64.6913 172.7141 10 I 5.2271 8.9177 125.1454 59.5159 41.8327 173.8064 11 I 5.1278 8.9479 128.1221 59.6246 41.2492 174.3536 12 F 5.5552 8.3683 119.9159 55.5566 41.9668 172.9812 13 I 5.1713 8.9885 120.1619 59.4609 41.3433 174.9038 14 S 5.2137 8.8386 123.9922 56.6616 65.0568 174.8856 15 N 3.8815 7.8978 117.6732 55.3016 37.0569 175.7181 16 E 4.1753 7.8449 117.4872 55.7528 29.7053 175.7473 17 D 4.5742 8.0866 117.6173 55.6792 40.2194 173.2144 18 S 4.9030 7.9336 112.0630 56.6065 65.9043 173.4267 19 C 5.3187 8.6851 120.6068 58.2752 31.1630 172.9732 20 G 3.8804 8.0592 106.9700 44.9744 0.0000 171.3014 21 E 4.9435 8.1468 118.1731 55.0006 33.7212 175.9719 22 G 4.3645 9.1078 107.6920 46.1085 0.0000 171.6127 23 I 5.2775 8.5044 119.0924 59.2520 41.9267 175.2892 24 L 5.0999 9.1506 128.5642 53.6344 45.8982 174.6136 25 I 5.3501 9.5531 127.7943 59.4391 40.0755 174.2236 26 K 4.3890 8.9642 127.9698 56.0162 33.5798 173.0296 27 N 4.6850 9.4199 125.7978 53.3355 42.1640 176.0027 28 G 3.7023 9.0329 107.4652 46.8514 0.0000 176.3415 29 N 4.6378 9.0050 120.0575 51.6430 37.9083 173.4306 *31 I 4.5254 7.5092 120.8174 61.2334 39.5124 175.0742 32 T 5.0406 8.8684 116.4675 60.3997 72.6207 173.7591 33 G 4.0858 8.1923 108.9780 48.5421 0.0000 172.0631 34 G 3.3892 6.8188 108.9110 45.4434 0.0000 171.0296 35 D 5.2878 8.3124 118.3396 51.7022 41.8710 176.0481 36 I 3.7232 8.5825 110.7942 63.1458 37.9803 175.8774 37 A 3.9873 7.9732 120.9507 51.3179 21.4524 175.7481 38 S 5.2051 9.3143 110.5704 57.0760 67.9387 173.5722 39 V 4.4935 8.9168 114.2541 59.6856 35.6602 174.3936 40 Y 5.9188 8.2402 119.5496 54.9473 41.7668 174.1089 41 Q 5.0750 8.5144 118.5330 54.9974 33.5902 173.7599 42 G 4.3863 8.7859 108.8953 45.7662 0.0000 172.5482 43 V 4.6540 8.1534 119.6419 60.4168 33.7822 174.6303 44 L 3.7626 10.1545 131.0111 57.4450 41.7369 178.0914 *45 S 4.0581 8.9707 123.4611 57.9439 61.6288 171.8512 46 E 3.8941 8.7454 117.8441 56.3304 26.8517 172.4113 *47 D 4.6374 6.8511 120.9474 52.8913 39.8384 177.8283 48 E 4.8108 7.3235 117.2383 55.7363 33.4809 174.6614 49 D 4.3828 8.5421 122.3496 54.3915 41.5013 176.2730 50 I 3.9001 8.3972 125.0393 61.5076 38.2086 174.7754 51 I 4.6358 8.3504 128.4996 59.4551 39.0606 174.7950 52 L 4.5018 8.8667 130.3921 53.7090 43.9645 174.8578 53 H 4.7898 9.1892 125.1016 54.9915 30.2602 174.4910 54 V 4.5182 8.2797 124.9345 61.6172 33.0598 173.8961 55 H 5.5116 9.1459 128.5615 53.4617 32.1029 172.7639 56 R 4.4462 8.8926 127.7878 56.0789 29.9428 175.5714 57 Y 4.5791 8.7858 124.0189 56.5563 39.7492 175.1347 58 N 4.6869 6.9735 118.6236 52.1463 40.4568 173.5296 59 Y 4.2632 8.4980 122.8948 58.6805 38.4099 177.0299 60 E 4.3633 8.4748 119.1712 57.0142 30.0793 176.4332 61 I 4.5324 6.8440 118.9827 58.4605 39.6974 173.8630 62 P 4.4129 0.0000 0.0000 62.3952 32.0304 176.1662 63 S 4.5423 8.3287 116.0481 57.2683 63.2704 175.5215 64 V 3.8016 8.4681 124.9594 63.6818 31.3118 176.6004 65 L 4.9116 7.8964 118.4719 52.9316 42.8389 175.7407 66 N 4.2069 7.4886 115.1768 54.3352 36.5618 175.6655 67 I 3.8398 7.8307 119.3680 62.3705 37.8196 176.7744 68 E 3.9806 8.5423 117.2574 57.0740 26.3077 173.4897 69 Q 5.0615 7.6144 113.5615 56.0106 30.3587 172.6583 70 D 4.8938 8.1854 118.0661 55.1278 42.3395 175.2613 71 Y 4.8931 8.1809 118.0800 56.4849 42.3185 172.9820 72 Q 4.9575 8.8729 116.8464 54.1370 32.5504 174.8308 73 L 5.1272 8.9012 123.2155 53.0175 44.7517 175.4789 74 V 4.4942 8.5646 123.3597 61.7784 32.5677 175.0315 75 I 4.3604 8.6730 129.8177 58.9406 38.2238 174.3165 76 P 4.3281 0.0000 0.0000 62.8546 31.7847 176.4143 77 K 4.1800 8.5822 122.5080 58.2136 32.9126 176.7622 78 K 4.9137 7.9574 118.4933 54.6074 34.1313 175.8518 79 V 4.5232 8.3305 122.4190 61.3047 35.6278 174.2112 80 L 4.8672 8.2037 123.6982 53.5860 42.8441 176.0385 81 S 5.0719 8.7308 117.5633 57.4835 66.7177 171.8723 82 N 5.2085 9.2537 117.2208 52.3978 41.0653 174.5580 83 D 4.7277 8.6623 119.8745 55.6641 41.3509 176.7129 84 N 5.1253 7.6786 113.2699 53.5749 44.1450 173.5686 85 N 5.7287 8.1163 116.0770 51.7791 43.6031 173.1254 86 L 5.1733 8.3969 119.9187 55.2910 44.0138 173.8537 87 T 5.4027 8.7254 110.2246 60.4218 72.7331 172.4122 88 L 4.5506 8.7636 121.1459 55.2557 44.3890 173.2345 89 H 5.2437 8.8063 119.9520 54.7623 31.8304 172.6536 90 C 5.0679 9.0534 124.4429 58.1988 30.9023 173.1844 91 H 5.4663 8.5796 118.9529 53.5536 31.6351 173.9828 92 V 4.2191 8.6646 120.4512 62.4837 32.6269 175.4053 93 R 4.0335 8.8490 129.1952 58.5549 29.9933 176.5023 94 G 3.9980 10.2612 114.1926 45.4061 0.0000 172.8324 95 N 4.6864 8.5348 118.8809 52.5418 39.8404 174.5135 96 E 4.1070 8.7931 128.2453 59.0218 29.8027 179.3798 97 K 4.3247 8.5659 119.7413 55.8840 32.2062 181.9535 98 L 4.8566 7.7253 118.1176 53.7572 43.7136 175.7910 99 F 5.2456 8.1636 117.8694 56.2534 41.9563 173.2030 100 V 5.1070 9.0925 111.9101 59.7812 35.8570 174.5724 101 D 5.3411 9.6082 124.4939 52.7075 43.1685 175.4344 102 V 5.0274 9.1771 123.8674 61.2086 34.7428 173.4563 103 Y 5.3190 9.2271 128.0718 55.7531 41.6548 173.9055 104 A 5.0535 8.6953 128.2226 49.7843 22.5321 174.5716 105 K 4.8688 8.7574 122.6786 54.1559 35.2842 175.0959 106 F 3.7409 9.3888 131.0918 58.7441 39.3918 173.9847 107 I 4.1548 7.4736 127.3719 62.0139 38.1847 175.5467 108 E 4.4639 6.2287 117.2330 54.4076 32.3648 172.5045 109 P 5.0494 0.0000 0.0000 62.5035 32.7761 175.2249 110 L 4.5778 8.1971 120.0630 53.8313 42.4643 176.7470 111 V 3.7541 8.1440 117.9654 63.3186 31.4713 175.7912 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 -6 G 8.35 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 L 8.20 4.50 0.00 1.64 1.63 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 -4 V 9.29 4.63 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 0.75 0.00 0.00 0.99 0.00 0.00 -3 P 0.00 4.91 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 -2 R 9.08 4.61 0.00 1.70 1.77 0.00 3.12 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 -1 G 8.55 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 0 S 8.53 4.29 0.00 3.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 I 9.26 4.68 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.97 0.00 0.00 -2 K 9.14 4.59 0.00 1.68 1.76 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 -1 D 8.56 4.72 0.00 2.42 2.45 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 G 8.55 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 7 I 7.81 4.84 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.87 0.00 0.00 8 Y 9.25 5.07 0.00 2.96 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 9 S 8.85 5.07 0.00 3.92 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 10 I 8.92 5.23 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 1.23 0.00 0.00 11 I 8.95 5.13 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.88 0.00 0.00 12 F 8.37 5.56 0.00 3.12 3.11 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 13 I 8.99 5.17 1.92 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 1.34 1.06 1.07 0.00 0.00 14 S 8.84 5.21 0.00 3.90 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 15 N 7.90 3.88 0.00 2.26 1.42 0.00 0.00 6.97 7.82 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 16 E 7.84 4.18 0.00 1.93 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 0.00 2.23 2.14 0.00 17 D 8.09 4.57 0.00 2.76 2.74 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 18 S 7.93 4.90 0.00 3.95 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 19 C 8.69 5.32 0.00 2.74 2.69 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 20 G 8.06 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 0.00 0.00 0.00 21 E 8.15 4.94 0.00 1.75 1.79 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 2.08 2.14 0.00 22 G 9.11 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 0.00 0.00 0.00 0.00 23 I 8.50 5.28 1.91 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 1.47 0.92 0.00 0.00 24 L 9.15 5.10 0.00 1.82 1.53 0.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.55 5.35 2.01 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 1.12 0.56 0.95 0.00 0.00 26 K 8.96 4.39 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.43 7.81 27 N 9.42 4.69 0.00 2.72 2.57 0.00 0.00 7.13 7.98 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 28 G 9.03 3.70 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 0.00 0.00 0.00 29 N 9.00 4.64 0.00 2.66 3.07 0.00 0.00 6.79 7.32 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 *31 I 7.51 4.53 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.93 0.00 0.00 32 T 8.87 5.04 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 1.21 0.00 0.00 33 G 8.19 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 34 G 6.82 3.39 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 0.00 0.00 0.00 35 D 8.31 5.29 0.00 2.97 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 36 I 8.58 3.72 1.87 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 1.36 0.50 0.96 0.00 0.00 37 A 7.97 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.31 5.21 0.00 3.88 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 39 V 8.92 4.49 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 0.58 0.00 0.00 0.99 0.00 0.00 40 Y 8.24 5.92 0.00 2.96 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 41 Q 8.51 5.08 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 42 G 8.79 4.39 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 0.00 0.00 0.00 43 V 8.15 4.65 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 0.86 0.00 0.00 0.94 0.00 0.00 44 L 10.15 3.76 0.00 1.62 1.64 0.90 0.83 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 *45 S 8.97 4.06 0.00 3.63 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 0.00 46 E 8.75 3.89 0.00 2.00 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 2.14 2.31 0.00 *47 D 6.85 4.64 0.00 2.83 2.74 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 48 E 7.32 4.81 0.00 1.90 1.82 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 2.22 2.33 0.00 49 D 8.54 4.38 0.00 2.64 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 50 I 8.40 3.90 2.05 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 1.42 0.85 0.89 0.00 0.00 51 I 8.35 4.64 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.74 0.00 0.00 52 L 8.87 4.50 0.00 1.55 1.54 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.19 4.79 0.00 3.18 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.28 4.52 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 0.00 0.00 0.64 0.00 0.00 0.51 0.00 0.00 55 H 9.15 5.51 0.00 3.19 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.89 4.45 0.00 1.63 1.45 0.00 3.15 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.52 0.00 57 Y 8.79 4.58 0.00 3.04 3.03 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 58 N 6.97 4.69 0.00 2.20 2.26 0.00 0.00 7.20 7.56 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 59 Y 8.50 4.26 0.00 3.13 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 60 E 8.47 4.36 0.00 2.12 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 2.32 0.00 61 I 6.84 4.53 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.87 0.00 0.00 62 P 0.00 4.41 0.00 2.04 1.97 0.00 3.65 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 2.02 2.06 0.00 63 S 8.33 4.54 0.00 3.86 3.71 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 64 V 8.47 3.80 2.30 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 0.93 0.00 0.00 1.00 0.00 0.00 65 L 7.90 4.91 0.00 1.34 1.46 0.45 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.49 4.21 0.00 2.75 2.85 0.00 0.00 6.97 7.62 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 67 I 7.83 3.84 1.71 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 1.19 0.19 0.96 0.00 0.00 68 E 8.54 3.98 0.00 2.20 2.20 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 2.24 2.27 0.00 69 Q 7.61 5.06 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 7.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 70 D 8.19 4.89 0.00 2.80 2.69 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 71 Y 8.18 4.89 0.00 3.02 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 72 Q 8.87 4.96 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 73 L 8.90 5.13 0.00 1.42 1.47 0.74 0.85 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 74 V 8.56 4.49 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 0.71 0.00 0.00 0.84 0.00 0.00 75 I 8.67 4.36 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.86 0.00 0.00 76 P 0.00 4.33 0.00 2.16 1.99 0.00 3.64 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 2.07 2.14 0.00 77 K 8.58 4.18 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 78 K 7.96 4.91 0.00 1.65 1.68 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 79 V 8.33 4.52 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 0.90 0.00 0.00 0.91 0.00 0.00 80 L 8.20 4.87 0.00 1.72 1.62 0.93 0.80 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 81 S 8.73 5.07 0.00 3.94 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 82 N 9.25 5.21 0.00 2.90 2.87 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.66 4.73 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.68 5.13 0.00 2.65 2.87 0.00 0.00 6.82 6.92 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 85 N 8.12 5.73 0.00 2.72 2.93 0.00 0.00 6.66 6.74 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 86 L 8.40 5.17 0.00 1.86 1.74 0.84 0.59 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 87 T 8.73 5.40 4.39 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 1.46 0.00 0.00 88 L 8.76 4.55 0.00 1.75 1.76 0.90 0.69 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 89 H 8.81 5.24 0.00 3.15 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.05 5.07 0.00 2.81 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 91 H 8.58 5.47 0.00 3.42 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.66 4.22 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 0.99 0.00 0.00 0.77 0.00 0.00 93 R 8.85 4.03 0.00 1.76 1.87 0.00 3.32 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 94 G 10.26 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 0.00 0.00 0.00 95 N 8.53 4.69 0.00 2.68 2.68 0.00 0.00 7.06 8.31 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 96 E 8.79 4.11 0.00 1.98 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 0.00 2.03 2.23 0.00 97 K 8.57 4.32 0.00 1.76 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 98 L 7.73 4.86 0.00 1.77 1.50 0.81 0.56 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 99 F 8.16 5.25 0.00 2.99 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 0.00 100 V 9.09 5.11 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 0.76 0.00 0.00 0.88 0.00 0.00 101 D 9.61 5.34 0.00 2.67 2.67 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 0.00 102 V 9.18 5.03 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 0.99 0.00 0.00 0.92 0.00 0.00 103 Y 9.23 5.32 0.00 3.11 2.87 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 0.00 104 A 8.70 5.05 1.09 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 0.00 105 K 8.76 4.87 0.00 1.73 1.64 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.46 7.81 106 F 9.39 3.74 0.00 2.84 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 0.00 107 I 7.47 4.15 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.76 0.00 0.00 108 E 6.23 4.46 0.00 1.85 1.80 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 2.00 2.06 0.00 109 P 0.00 5.05 0.00 2.18 2.31 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 110 L 8.20 4.58 0.00 1.75 1.70 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.14 3.75 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 0.77 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.