NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4967 8.3231 115.4282 59.2132 64.1764 173.0520 7 G 3.7464 9.0164 108.5542 44.5812 0.0000 172.9311 8 W 4.0900 8.0624 120.6714 56.5131 30.5167 174.1854 9 V 3.6676 8.4209 122.7555 62.1661 31.4955 175.2193 10 A 4.3529 7.7150 128.8127 51.2399 22.4098 176.3208 11 F 4.9477 8.4422 121.7156 56.2414 38.7000 175.0934 12 D 5.0396 7.8905 116.1912 53.0502 40.1349 177.4360 13 K 4.7447 7.6783 118.1080 56.4341 33.3406 176.6422 14 Q 4.1355 8.2456 116.8814 55.3891 29.4284 176.9374 15 V 3.5314 7.7763 120.2174 62.0604 32.0784 175.1291 16 L 4.6214 8.4388 122.9766 53.1365 43.0204 175.5251 17 S 5.2384 8.4895 117.4943 56.5048 65.9363 172.8430 18 F 5.1389 9.5364 122.1970 55.7148 42.5036 173.7523 19 D 5.1845 9.0513 123.4554 53.3810 42.2854 175.5805 20 A 5.7417 9.4725 124.6286 50.6598 23.4874 173.9378 21 Y 5.5225 9.1508 116.2099 55.6129 42.1698 174.0768 22 L 4.6904 9.1093 121.1069 53.6404 46.2933 174.2639 23 E 5.1097 8.5738 123.6521 54.6673 31.6230 175.3150 24 E 4.2386 9.1823 126.9699 55.6014 30.4354 175.1403 25 E 4.8865 8.7317 127.9126 54.9144 31.0184 175.9179 26 V 4.1565 8.5240 126.5224 61.1200 33.1121 174.6158 27 L 4.4593 8.5650 131.1620 54.7799 42.8918 175.9094 28 D 4.6744 9.4947 127.4985 52.6312 41.4815 176.3751 29 K 4.0353 8.7052 127.4557 56.0962 30.1068 176.5233 30 S 4.6244 8.5693 119.6955 57.8438 65.5805 174.4295 31 Q 4.4953 8.0132 123.3330 54.9013 30.1475 173.7683 32 T 5.0090 8.4083 120.8404 62.0444 70.6401 173.3979 33 N 5.3021 8.8197 123.9618 52.1093 41.8176 173.2419 34 Y 5.9401 8.2410 117.5786 56.6720 41.4002 173.5671 35 R 4.4366 8.4768 114.5485 54.8570 33.3253 173.5230 36 I 4.9100 8.2899 120.7025 59.8864 39.0939 175.2603 37 R 4.6448 9.1157 125.5575 54.5290 33.2148 174.1808 38 Y 5.3161 8.4723 120.2152 56.7013 40.6730 174.3358 39 Y 5.1775 9.8539 120.4395 56.2055 43.3160 173.9506 40 K 4.9965 9.2916 122.4664 54.9039 35.0031 174.6230 41 I 4.8659 9.4131 129.0256 60.0380 39.4735 174.0721 42 Y 5.3190 9.2321 125.4134 56.2773 40.3015 174.4295 43 F 4.8359 8.9422 126.4705 56.4676 42.4347 173.3302 44 Y 4.5027 8.0951 124.7187 55.7724 38.4303 174.9121 45 P 4.4024 0.0000 0.0000 65.4773 31.9142 177.6786 46 E 4.1365 8.4594 118.2913 58.7792 29.4584 176.9537 47 D 4.7361 7.4461 112.5568 52.1176 40.5111 174.6826 48 D 4.0758 8.2044 117.9191 55.7537 38.9441 173.8035 49 T 4.4162 7.2045 108.5547 60.8310 71.2618 173.4497 50 I 5.1522 8.5568 122.5716 59.7542 41.5545 174.4088 51 Q 4.9605 9.0756 125.0489 54.5670 33.1207 173.6882 52 V 5.0273 8.7617 124.4173 61.1629 35.1552 173.9057 53 N 5.4614 8.9974 123.6043 51.4693 39.8080 173.1640 54 E 4.6399 8.8766 123.1082 53.5609 29.8459 174.4320 55 P 4.4850 0.0000 0.0000 65.4326 32.6026 177.7147 56 E 3.5016 7.6322 112.2706 59.9811 28.4737 177.2845 *62 L 4.2585 8.6662 117.2213 53.6757 44.3962 177.0150 63 L 3.9927 7.9479 119.4881 55.3766 41.8766 176.6795 64 Q 4.4912 8.5872 122.4030 55.5912 30.5506 175.4401 65 G 4.0331 8.7266 107.2907 46.9149 0.0000 174.6023 66 T 4.8210 8.1386 110.0206 61.8384 70.1781 174.0112 67 S 5.2050 7.7442 114.7055 57.7670 66.0063 174.1832 68 I 4.7284 8.6062 121.4969 59.2557 40.4694 175.6911 69 R 4.3788 8.7099 123.6247 55.8248 30.5354 176.2278 70 R 4.8837 8.7353 121.0558 56.6474 30.6793 175.0410 71 H 4.4462 8.1644 120.1703 55.0208 31.5156 172.9960 72 R 4.2265 8.4526 118.3119 55.8885 30.6485 176.2282 73 I 4.6454 8.2357 124.5523 59.4992 39.5192 175.3903 74 T 4.5721 8.7214 117.3200 61.4780 69.8779 174.3595 75 L 3.7747 8.4427 123.8144 53.7370 43.2147 175.1830 76 P 4.5874 0.0000 0.0000 61.3934 32.2995 174.0019 77 P 4.5723 0.0000 0.0000 62.8893 31.5736 174.3034 78 P 4.7663 0.0000 0.0000 63.1017 31.6772 175.6106 79 D 4.9922 7.8343 117.7847 54.8579 41.0971 177.9496 80 E 4.2623 8.4084 117.4438 57.3807 29.3976 177.4556 81 D 4.4349 7.7459 117.6009 53.9578 40.3413 175.7451 82 Q 4.6058 7.8290 119.0353 54.1951 32.5798 174.3844 83 F 5.4600 8.3926 118.5626 55.7478 41.9545 175.3279 84 Y 4.2617 9.2018 119.6325 58.4727 38.6502 175.5636 85 T 5.1303 8.7903 111.9695 59.3018 72.1871 175.1742 86 V 2.5261 7.9371 120.0589 64.4555 31.2086 177.4979 87 Y 4.3787 7.2846 115.9728 59.7834 37.7323 175.9195 88 H 4.5264 8.3020 116.2591 56.0141 29.3684 174.9013 89 F 4.3659 7.5099 119.1841 55.5179 39.9136 174.5078 90 N 4.8404 7.8905 121.4727 52.4059 41.6304 173.4179 91 V 3.8001 8.3509 122.0582 64.1127 32.1006 176.0429 92 G 4.0080 9.0882 114.3961 46.2336 0.0000 173.0284 93 T 4.7442 7.5270 114.4479 61.4032 72.0653 172.8550 94 E 5.0437 8.6356 122.9901 54.8096 32.0486 175.7829 95 V 4.3825 8.3752 115.6401 59.3418 35.9768 174.7771 96 V 4.7564 8.6603 123.1090 61.2574 33.7063 174.8384 97 F 5.1821 8.9397 126.9060 57.2051 41.2891 175.3356 98 Y 3.6519 9.4618 123.8290 59.1932 35.3031 171.9981 99 G 4.0094 8.4611 105.2424 45.6825 0.0000 173.8125 100 R 4.4447 8.0115 119.6512 54.6102 31.8537 175.1903 101 T 4.7124 8.1184 119.1301 62.6206 69.5561 174.0182 102 F 4.4023 9.1870 126.3812 55.7095 41.4457 175.1921 103 K 4.6151 8.4731 123.4809 54.6025 33.8436 175.6498 104 I 4.6932 8.4169 127.8664 61.3243 37.8130 176.2677 105 Y 4.9780 8.6198 124.1669 56.6946 39.6347 174.2291 106 D 4.6345 7.4789 118.7986 54.7896 44.8444 173.5871 107 C 4.8354 8.2704 112.8348 55.7940 31.7258 173.8782 108 D 4.6191 7.7337 122.6299 52.7676 41.1565 177.3531 109 A 3.9662 8.4488 120.7504 55.2650 18.2870 179.3705 110 F 3.9357 8.2375 118.5825 61.8365 39.3762 177.3994 111 T 3.8353 8.5345 115.3867 66.6737 68.2439 176.9567 112 R 3.9265 8.0998 120.0465 59.3881 30.0877 178.9384 113 N 4.2985 8.4239 116.6090 56.0719 38.3603 177.2595 114 F 3.9046 8.0435 122.0409 61.1947 39.4613 177.1277 115 L 3.9386 8.2055 118.7901 57.8279 41.4370 179.4430 116 R 3.9961 8.0230 118.5305 59.5058 29.7851 178.7404 117 K 4.0318 7.8810 117.2249 58.4443 31.9054 178.0612 118 M 4.5020 7.1161 116.0862 54.7992 31.8878 176.8892 119 G 3.8551 7.8017 106.2786 46.2186 0.0000 173.9995 120 V 3.9555 7.7074 119.8065 61.3871 32.2247 175.2881 121 K 4.2671 8.4954 128.7193 54.9428 32.3395 176.0442 122 V 4.0446 8.2756 127.1491 62.3774 32.0619 175.5819 123 N 4.5783 8.9411 125.2748 52.3805 38.9929 173.0279 124 P 4.5699 0.0000 0.0000 61.5009 32.0733 174.3411 125 P 4.3973 0.0000 0.0000 63.2731 31.5460 177.9973 126 V 3.7540 8.4984 113.9689 62.7710 32.0081 176.4440 127 Q 4.2598 7.5529 124.0441 55.9546 29.0641 175.1665 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 S 8.32 4.50 0.00 4.03 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 7 G 9.02 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 0.00 0.00 0.00 0.00 8 W 8.06 4.09 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.42 3.67 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 0.51 0.00 0.00 0.89 0.00 0.00 10 A 7.72 4.35 1.20 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 0.00 0.00 0.00 11 F 8.44 4.95 0.00 3.07 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 12 D 7.89 5.04 0.00 2.87 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 13 K 7.68 4.74 0.00 1.77 1.84 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.50 7.81 14 Q 8.25 4.14 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 15 V 7.78 3.53 1.30 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 -0.24 0.00 0.00 -0.33 0.00 0.00 16 L 8.44 4.62 0.00 1.62 1.30 0.39 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.49 5.24 0.00 3.95 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 18 F 9.54 5.14 0.00 3.07 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 19 D 9.05 5.18 0.00 1.88 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 0.00 0.00 0.00 0.00 20 A 9.47 5.74 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.15 5.52 0.00 2.82 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 22 L 9.11 4.69 0.00 1.21 1.44 0.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.57 5.11 0.00 1.86 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 2.28 2.43 0.00 24 E 9.18 4.24 0.00 2.10 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 2.31 2.32 0.00 25 E 8.73 4.89 0.00 1.89 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 2.28 2.49 0.00 26 V 8.52 4.16 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 0.93 0.00 0.00 0.95 0.00 0.00 27 L 8.57 4.46 0.00 1.71 1.58 0.93 1.26 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 28 D 9.49 4.67 0.00 2.65 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 29 K 8.71 4.04 0.00 1.95 1.76 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.48 7.81 30 S 8.57 4.62 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.01 4.50 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 32 T 8.41 5.01 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 1.26 0.00 0.00 33 N 8.82 5.30 0.00 2.74 2.69 0.00 0.00 6.09 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 34 Y 8.24 5.94 0.00 3.04 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 35 R 8.48 4.44 0.00 1.77 1.89 0.00 2.92 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 36 I 8.29 4.91 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.43 0.00 0.00 37 R 9.12 4.64 0.00 1.86 1.81 0.00 3.32 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 38 Y 8.47 5.32 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.85 5.18 0.00 3.10 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 40 K 9.29 5.00 0.00 1.81 1.54 0.00 1.63 0.00 0.00 2.04 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 1.49 7.81 41 I 9.41 4.87 2.12 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 1.20 0.54 1.10 0.00 0.00 42 Y 9.23 5.32 0.00 2.86 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 0.00 0.00 0.00 0.00 43 F 8.94 4.84 0.00 2.68 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 44 Y 8.10 4.50 0.00 2.82 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 45 P 0.00 4.40 0.00 2.06 2.28 0.00 3.79 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 1.78 2.05 0.00 46 E 8.46 4.14 0.00 1.94 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 2.29 2.37 0.00 47 D 7.45 4.74 0.00 2.64 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 48 D 8.20 4.08 0.00 2.83 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 49 T 7.20 4.42 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 1.10 0.00 0.00 50 I 8.56 5.15 1.59 0.00 0.00 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 1.23 0.79 0.65 0.00 0.00 51 Q 9.08 4.96 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 52 V 8.76 5.03 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 0.85 0.00 0.00 0.74 0.00 0.00 53 N 9.00 5.46 0.00 2.79 2.79 0.00 0.00 6.33 7.73 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 54 E 8.88 4.64 0.00 1.81 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 2.11 1.92 0.00 55 P 0.00 4.49 0.00 2.09 2.13 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 56 E 7.63 3.50 0.00 1.97 1.73 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 2.33 2.32 0.00 *62 L 8.67 4.26 0.00 1.71 1.74 0.92 0.94 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 63 L 7.95 3.99 0.00 1.65 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.59 4.49 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 65 G 8.73 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 0.00 0.00 0.00 66 T 8.14 4.82 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 1.31 0.00 0.00 67 S 7.74 5.20 0.00 3.97 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 68 I 8.61 4.73 1.86 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 1.01 0.00 0.00 69 R 8.71 4.38 0.00 1.78 1.91 0.00 2.98 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 70 R 8.74 4.88 0.00 1.77 1.76 0.00 2.21 0.00 0.00 3.48 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 0.00 71 H 8.16 4.45 0.00 3.13 3.27 0.00 5.50 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.45 4.23 0.00 0.90 0.66 0.00 2.86 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.25 0.00 73 I 8.24 4.65 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 1.02 0.62 0.94 0.00 0.00 74 T 8.72 4.57 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 1.03 0.00 0.00 75 L 8.44 3.77 0.00 1.58 1.30 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.59 0.00 2.21 2.22 0.00 3.51 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 77 P 0.00 4.57 0.00 2.04 2.03 0.00 3.65 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 2.03 2.37 0.00 78 P 0.00 4.77 0.00 2.14 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 79 D 7.83 4.99 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 4.26 0.00 1.88 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 2.45 2.20 0.00 81 D 7.75 4.43 0.00 2.69 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 82 Q 7.83 4.61 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 83 F 8.39 5.46 0.00 3.02 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 84 Y 9.20 4.26 0.00 3.25 3.27 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 85 T 8.79 5.13 4.50 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 1.52 0.00 0.00 86 V 7.94 2.53 1.63 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 0.07 0.00 0.00 0.77 0.00 0.00 87 Y 7.28 4.38 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.30 4.53 0.00 3.27 3.29 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.51 4.37 0.00 2.33 1.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.89 4.84 0.00 2.71 2.63 0.00 0.00 6.85 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 91 V 8.35 3.80 2.31 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 1.07 0.00 0.00 1.05 0.00 0.00 92 G 9.09 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 93 T 7.53 4.74 4.33 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 1.16 0.00 0.00 94 E 8.64 5.04 0.00 1.75 1.74 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 2.14 2.26 0.00 95 V 8.38 4.38 1.01 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 -0.04 0.00 0.00 0.22 0.00 0.00 96 V 8.66 4.76 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 0.85 0.00 0.00 0.90 0.00 0.00 97 F 8.94 5.18 0.00 3.36 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.46 3.65 0.00 3.28 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 99 G 8.46 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 0.00 100 R 8.01 4.44 0.00 1.96 1.52 0.00 3.20 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 101 T 8.12 4.71 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 1.09 0.00 0.00 102 F 9.19 4.40 0.00 2.53 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 0.00 103 K 8.47 4.62 0.00 0.79 1.46 0.00 0.87 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.08 7.81 104 I 8.42 4.69 2.16 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 1.37 0.60 1.18 0.00 0.00 105 Y 8.62 4.98 0.00 3.06 3.30 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 0.00 106 D 7.48 4.63 0.00 2.68 2.52 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 0.00 107 C 8.27 4.84 0.00 2.84 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 0.00 108 D 7.73 4.62 0.00 3.15 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 0.00 109 A 8.45 3.97 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 0.00 110 F 8.24 3.94 0.00 3.13 3.16 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 0.00 111 T 8.53 3.84 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 0.66 0.00 0.00 112 R 8.10 3.93 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 113 N 8.42 4.30 0.00 2.68 2.74 0.00 0.00 6.66 8.29 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 0.00 114 F 8.04 3.90 0.00 2.81 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.21 3.94 0.00 1.92 1.76 1.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.02 4.00 0.00 1.95 2.02 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 117 K 7.88 4.03 0.00 1.64 1.68 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.55 7.81 118 M 7.12 4.50 0.00 1.82 2.12 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 119 G 7.80 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 0.00 120 V 7.71 3.96 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 0.86 0.00 0.00 1.11 0.00 0.00 121 K 8.50 4.27 0.00 1.77 1.73 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.43 7.81 122 V 8.28 4.04 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 0.98 0.00 0.00 0.99 0.00 0.00 123 N 8.94 4.58 0.00 3.02 2.79 0.00 0.00 7.09 7.57 0.00 0.00 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 4.57 0.00 2.21 2.09 0.00 3.82 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 2.02 2.01 0.00 125 P 0.00 4.40 0.00 2.25 2.10 0.00 3.63 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 2.16 2.18 0.00 126 V 8.50 3.75 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 0.85 0.00 0.00 1.10 0.00 0.00 127 Q 7.55 4.26 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.