NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2446 8.3344 116.7840 58.3770 65.0193 173.5579 -7 D 5.2985 8.0409 128.4301 52.1852 41.9198 174.0980 -6 P 4.0415 0.0000 0.0000 65.9472 32.1355 178.3832 -5 S 4.9311 7.7292 109.0291 59.7061 62.8078 174.5953 -4 S 4.7939 8.3776 117.9325 58.5222 64.1507 176.0747 -3 I 4.5743 7.9242 121.5760 62.0074 38.6027 177.6142 -2 N 5.2371 7.6208 115.8601 52.2969 40.0454 175.9051 -1 G 3.9543 7.7912 105.0659 44.4224 0.0000 171.9949 -7 G 4.6185 8.0309 116.8301 43.0852 0.0000 172.6980 -6 I 3.7915 9.4923 128.1604 63.7472 38.8355 177.4832 -5 V 4.5811 7.4492 112.5291 63.6061 31.9078 176.2953 -4 V 4.4439 8.0976 121.4325 62.4222 33.2508 177.7747 -3 A 4.7243 8.1642 125.4760 53.4074 18.9027 179.0142 -2 M 4.9771 7.5008 116.7601 54.5969 34.0454 177.0051 -1 T 4.3443 7.6112 109.8659 61.1224 67.4178 171.7949 8 G 3.7887 8.6009 112.6826 44.7092 0.0000 172.6498 9 K 4.1041 8.7374 125.0315 56.0124 31.7732 177.2935 10 D 4.4185 8.4835 129.3092 54.6598 38.5161 173.2967 11 C 4.7396 7.2105 109.3594 57.8357 31.9885 172.8548 12 V 5.0019 8.0776 112.5755 59.9119 35.4327 174.5146 13 A 4.7066 8.3770 122.8752 50.4007 22.3000 175.3634 14 I 5.3629 8.0625 119.1227 59.6053 41.1571 173.9488 15 A 4.9403 8.5080 129.0919 50.7699 22.5602 174.1543 16 C 5.4808 8.3493 112.9989 57.4035 33.2101 172.8208 17 D 4.8319 8.3987 119.0347 52.3142 41.7563 176.1069 18 L 5.1051 8.2396 115.9289 53.5065 43.9462 176.6141 19 R 4.4902 8.0963 119.7743 56.3577 31.2725 176.1543 20 L 4.2546 8.6337 127.3560 54.1399 44.6546 174.4867 21 G 4.4207 8.2560 112.3631 44.5434 0.0000 170.5096 22 S 4.7561 8.8753 114.4960 56.9898 63.7067 174.0469 23 Q 3.5457 8.4489 130.2925 57.1543 26.8716 176.2813 24 S 4.1909 8.8469 119.7007 61.7821 63.3207 174.6186 25 L 3.9466 7.7732 124.5623 54.7384 42.0696 176.0365 26 G 4.0832 8.5475 115.5540 45.1773 0.0000 172.3373 27 V 4.1829 8.4713 121.5571 63.5442 33.7849 175.6636 28 S 4.7085 8.4704 113.9564 56.5369 65.0313 173.3879 29 N 5.2012 8.8569 123.1332 52.7743 37.3296 174.8695 30 K 4.5827 7.9704 114.2690 56.5757 34.4947 176.8445 31 F 4.4465 8.4166 124.8031 57.4853 38.9126 174.2688 32 E 4.1679 8.1892 124.4404 55.7240 30.3912 176.7122 33 K 4.3668 8.4476 120.3421 56.0196 34.1460 175.0551 34 I 4.8584 7.0960 120.9248 59.5272 39.5880 174.6908 35 F 4.9898 9.5149 124.4430 56.1304 43.9407 173.3137 36 H 4.7208 7.4180 112.2979 54.1095 30.8463 172.5005 *38 Y 4.6449 7.7795 117.2255 58.7233 38.9571 175.2553 39 G 3.9413 8.2078 116.8166 47.3521 0.0000 172.9487 40 H 4.7050 8.9243 120.8104 54.9799 29.0225 174.3206 41 V 4.3108 7.4294 121.1668 61.6237 33.3837 174.4814 42 F 5.0745 9.4744 126.6375 55.7340 41.9547 174.5419 43 L 5.3805 9.5089 124.2840 53.5689 45.3332 175.0553 44 G 4.5564 9.7040 114.2485 44.7548 0.0000 172.2296 45 I 5.0934 9.3177 125.1317 59.6862 39.8812 175.1723 46 T 4.5587 9.1364 117.4201 60.5918 71.3845 173.2497 47 G 3.8564 8.8052 107.5476 44.2433 0.0000 173.6025 48 L 4.0017 9.2134 126.1741 54.9773 42.4738 178.1153 49 A 4.1387 9.6311 129.2129 55.9458 18.0434 178.7758 50 T 3.8542 8.0198 110.6528 65.7050 67.4212 175.8043 51 D 4.3823 8.1871 120.2062 57.0074 41.0521 178.6441 52 V 3.6202 8.0880 119.1201 66.4400 31.6300 177.8600 53 T 3.8765 8.6262 115.5458 67.2031 68.3056 176.1639 54 T 3.7463 8.0771 117.3170 67.0904 68.6118 176.4131 55 L 3.2693 8.1190 120.5774 57.5124 41.4090 179.4728 56 N 4.2626 7.5763 117.8086 56.2103 38.9964 176.6391 57 E 3.8941 7.9687 119.9515 59.6898 29.4222 179.2974 58 M 3.7270 8.0191 118.2434 58.7544 32.3701 178.4606 59 F 4.4257 7.6042 117.7207 60.5192 38.9247 177.2484 60 R 3.9095 8.3594 120.4648 58.5143 30.0088 177.5373 61 Y 4.1079 8.1218 118.8082 60.9234 38.7847 178.9443 62 K 4.2175 8.6990 119.5263 59.9248 31.9342 179.5213 63 T 3.8651 8.4324 110.3191 64.8547 68.4354 176.0326 64 N 4.3809 8.7095 119.6442 56.2639 38.6170 177.1387 65 L 3.9413 7.7901 119.8929 58.1258 41.7662 178.9405 66 Y 4.0263 8.4296 119.6475 60.7113 38.5700 178.3865 67 K 4.5404 8.1328 121.7692 58.9675 32.1274 178.7619 68 L 3.9448 7.6944 118.2110 57.7597 41.6266 179.4572 69 K 4.0785 7.8727 117.0000 59.4538 32.3070 179.1165 70 E 3.8584 8.2218 117.2276 56.5037 29.9509 176.4960 71 E 3.8022 8.1793 117.6167 56.5839 27.4538 173.7746 72 R 4.3570 7.1230 111.5776 55.6371 31.8139 173.4640 73 A 4.5477 8.5219 121.8987 51.3006 19.4992 177.5706 74 I 3.8222 8.0896 121.2981 60.9544 39.0029 176.0050 75 E 4.5464 8.3063 124.9173 54.3794 32.3093 175.8104 76 P 4.2915 0.0000 0.0000 66.0299 31.3736 178.6257 77 E 3.9721 8.2806 116.6495 59.9210 29.3031 179.6056 78 T 3.8041 7.8319 114.7796 66.6455 68.5980 176.0491 79 F 4.0091 8.4250 122.9344 61.8246 39.2742 177.0736 80 T 3.6920 8.2645 115.3786 66.9240 68.2663 176.3361 81 Q 3.9201 7.6380 119.2683 58.7728 28.6566 178.7449 82 L 3.8352 7.8203 121.4048 58.0871 42.1621 179.0706 83 V 3.2433 7.6809 118.8218 65.9326 31.2863 177.5674 84 S 4.0643 8.3171 113.2593 61.6906 62.1649 176.3737 85 S 4.1610 8.2723 116.7461 61.4761 62.3805 176.5239 86 S 4.1686 8.1669 118.4742 61.4353 62.9130 176.4787 87 L 4.2340 8.0939 121.4600 58.1391 41.6328 178.8946 88 Y 4.0652 8.2026 119.1324 60.2834 38.3544 177.7144 89 E 4.1210 8.0201 118.9594 58.1458 30.0594 176.9847 90 R 4.4488 8.1340 118.6966 55.3083 30.9505 178.2522 91 R 3.1993 7.1413 120.2900 59.0067 29.8868 177.5998 92 F 4.9575 7.5415 114.5411 56.0016 39.8790 175.9284 93 G 4.9358 7.0131 114.8549 45.5084 0.0000 171.2211 94 P 4.0438 0.0000 0.0000 62.4518 32.3552 175.5202 95 Y 4.0868 7.6749 116.2588 57.3722 39.0306 176.7308 96 F 4.6977 9.1154 124.1328 56.4498 37.7889 174.8781 97 V 5.0432 7.8497 114.3320 59.7626 36.9488 175.7507 98 G 4.1334 9.2537 108.9259 44.2503 0.0000 169.4374 99 P 5.2022 0.0000 0.0000 62.1592 32.7435 175.6940 100 V 4.4575 9.4363 124.2674 61.0744 34.3741 174.1035 101 V 5.0642 8.6116 127.2150 61.2074 33.6522 174.5002 102 A 4.7516 9.4156 128.9900 50.1137 22.7439 175.2762 103 G 4.2418 7.8908 107.3886 46.6287 0.0000 172.1116 104 I 4.6540 8.2895 120.0225 59.0170 39.8326 175.6270 105 N 5.2511 8.7697 121.6126 53.5004 38.7910 174.3677 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 -8 S 8.33 4.24 0.00 3.84 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 -7 D 8.04 5.30 0.00 2.75 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 -6 P 0.00 4.04 0.00 1.44 1.42 0.00 3.34 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 0.74 1.57 0.00 -5 S 7.73 4.93 0.00 4.06 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 0.00 -4 S 8.38 4.79 0.00 3.88 3.77 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 -3 I 7.92 4.57 1.84 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 1.38 0.55 0.87 0.00 0.00 -2 N 7.62 5.24 0.00 2.73 2.71 0.00 0.00 7.68 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 -1 G 7.79 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 -7 G 8.03 4.62 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 -6 I 9.49 3.79 1.87 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 0.62 0.91 0.00 0.00 -5 V 7.45 4.58 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 0.95 0.00 0.00 0.93 0.00 0.00 -4 V 8.10 4.44 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.16 4.72 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 -2 M 7.50 4.98 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 -1 T 7.61 4.34 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 8 G 8.60 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 0.00 0.00 0.00 9 K 8.74 4.10 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.51 7.81 10 D 8.48 4.42 0.00 2.83 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 11 C 7.21 4.74 0.00 3.00 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 12 V 8.08 5.00 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 0.75 0.00 0.00 0.88 0.00 0.00 13 A 8.38 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.06 5.36 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.76 0.00 0.00 15 A 8.51 4.94 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 16 C 8.35 5.48 0.00 3.05 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 17 D 8.40 4.83 0.00 2.72 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 18 L 8.24 5.11 0.00 1.60 1.73 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.10 4.49 0.00 1.85 2.00 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 20 L 8.63 4.25 0.00 1.47 1.54 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.26 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 0.00 0.00 0.00 0.00 22 S 8.88 4.76 0.00 3.78 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 23 Q 8.45 3.55 0.00 2.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 24 S 8.85 4.19 0.00 3.97 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 0.00 25 L 7.77 3.95 0.00 1.68 1.75 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.55 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 27 V 8.47 4.18 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 0.83 0.00 0.00 0.91 0.00 0.00 28 S 8.47 4.71 0.00 3.84 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 29 N 8.86 5.20 0.00 2.87 2.88 0.00 0.00 5.91 7.13 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 30 K 7.97 4.58 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.42 4.45 0.00 3.18 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 32 E 8.19 4.17 0.00 1.53 1.61 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 2.21 2.20 0.00 33 K 8.45 4.37 0.00 1.68 2.03 0.00 1.79 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.64 1.66 7.81 34 I 7.10 4.86 1.76 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 1.35 0.53 1.04 0.00 0.00 35 F 9.51 4.99 0.00 2.67 2.64 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 36 H 7.42 4.72 0.00 2.07 1.53 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.78 4.64 0.00 2.67 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 39 G 8.21 3.94 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 0.00 0.00 0.00 40 H 8.92 4.70 0.00 3.33 3.39 0.00 5.50 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 41 V 7.43 4.31 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 0.75 0.00 0.00 0.71 0.00 0.00 42 F 9.47 5.07 0.00 3.18 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 43 L 9.51 5.38 0.00 2.14 1.87 1.15 1.70 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 44 G 9.70 4.56 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 45 I 9.32 5.09 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 1.04 0.00 0.00 46 T 9.14 4.56 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 1.30 0.00 0.00 47 G 8.81 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 48 L 9.21 4.00 0.00 1.85 1.78 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.63 4.14 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 50 T 8.02 3.85 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 1.30 0.00 0.00 51 D 8.19 4.38 0.00 3.07 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 52 V 8.09 3.62 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 1.40 0.00 0.00 1.21 0.00 0.00 53 T 8.63 3.88 4.48 0.00 0.00 0.00 0.00 0.00 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 54 T 8.08 3.75 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 0.97 0.00 0.00 55 L 8.12 3.27 0.00 1.50 1.47 0.80 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.58 4.26 0.00 1.52 2.46 0.00 0.00 7.09 6.93 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 57 E 7.97 3.89 0.00 2.10 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 2.32 2.42 0.00 58 M 8.02 3.73 0.00 1.49 1.62 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 59 F 7.60 4.43 0.00 2.90 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 60 R 8.36 3.91 0.00 2.15 2.13 0.00 3.23 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 61 Y 8.12 4.11 0.00 3.15 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 62 K 8.70 4.22 0.00 1.99 1.99 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.66 7.81 63 T 8.43 3.87 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 0.86 0.00 0.00 64 N 8.71 4.38 0.00 2.82 2.86 0.00 0.00 6.93 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 65 L 7.79 3.94 0.00 1.90 1.73 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.43 4.03 0.00 3.12 3.07 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 67 K 8.13 4.54 0.00 2.13 1.98 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 68 L 7.69 3.94 0.00 1.80 1.69 0.87 0.93 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 69 K 7.87 4.08 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.52 7.81 70 E 8.22 3.86 0.00 1.46 1.68 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 1.57 1.47 0.00 71 E 8.18 3.80 0.00 2.07 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 2.22 2.18 0.00 72 R 7.12 4.36 0.00 1.97 1.99 0.00 3.01 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 73 A 8.52 4.55 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.82 0.90 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 1.18 0.31 0.60 0.00 0.00 75 E 8.31 4.55 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.29 0.00 2.19 2.15 0.00 3.65 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 2.15 2.17 0.00 77 E 8.28 3.97 0.00 2.07 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 0.00 2.42 2.50 0.00 78 T 7.83 3.80 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 1.24 0.00 0.00 79 F 8.42 4.01 0.00 2.94 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 80 T 8.26 3.69 4.44 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 1.16 0.00 0.00 81 Q 7.64 3.92 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 82 L 7.82 3.84 0.00 1.64 1.52 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.68 3.24 1.69 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 0.76 0.00 0.00 -0.99 0.00 0.00 84 S 8.32 4.06 0.00 3.81 3.94 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 85 S 8.27 4.16 0.00 4.09 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 86 S 8.17 4.17 0.00 4.20 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 87 L 8.09 4.23 0.00 1.91 1.75 0.97 0.64 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 88 Y 8.20 4.07 0.00 3.07 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 89 E 8.02 4.12 0.00 2.18 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 0.00 2.31 2.36 0.00 90 R 8.13 4.45 0.00 1.64 1.65 0.00 2.86 0.00 0.00 2.78 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.00 91 R 7.14 3.20 0.00 0.79 1.03 0.00 2.57 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.54 4.96 0.00 3.01 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 93 G 7.01 4.94 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 0.00 0.00 0.00 94 P 0.00 4.04 0.00 1.89 1.83 0.00 3.60 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 1.53 1.83 0.00 95 Y 7.67 4.09 0.00 2.86 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 96 F 9.12 4.70 0.00 3.04 3.07 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 97 V 7.85 5.04 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 0.79 0.00 0.00 1.06 0.00 0.00 98 G 9.25 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 99 P 0.00 5.20 0.00 1.99 2.10 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 100 V 9.44 4.46 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 0.99 0.00 0.00 0.98 0.00 0.00 101 V 8.61 5.06 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 1.06 0.00 0.00 1.02 0.00 0.00 102 A 9.42 4.75 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 0.00 103 G 7.89 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 0.00 0.00 0.00 0.00 104 I 8.29 4.65 1.92 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 1.31 0.75 0.93 0.00 0.00 105 N 8.77 5.25 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.