NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5273 8.3649 120.3122 53.0664 40.2481 177.7397 6 F 4.8423 9.2475 111.1551 56.1087 40.6598 171.6774 7 E 4.8720 9.2518 124.2775 54.6215 32.2550 174.1491 8 E 5.3591 8.5944 122.7547 53.4262 32.6989 174.4073 9 K 4.7851 8.6916 123.6273 54.6631 35.9297 173.9771 10 M 4.8372 8.4587 123.3089 54.0811 32.3498 175.8730 11 I 4.0526 9.0775 125.7060 63.6691 37.6722 176.1714 12 L 4.6492 7.4978 119.1901 54.9378 43.2190 173.1562 13 I 5.9387 8.7133 113.2872 58.3694 40.3135 174.4238 14 R 4.8369 8.8045 120.7956 54.4761 33.7754 173.9137 15 R 4.9121 8.8402 119.8485 54.0340 31.3041 175.3248 16 T 4.5038 8.1909 117.6248 61.4874 71.5471 172.9517 17 A 4.6236 8.0971 120.3111 51.0595 21.8364 176.0770 18 R 4.6202 8.5732 118.4848 54.6444 32.9457 174.5816 19 M 4.8666 8.3344 119.0661 53.7785 34.2743 175.3652 20 Q 4.3336 8.8138 122.2997 53.8542 32.5943 173.1505 21 A 3.9864 8.5954 126.0134 55.5239 18.1785 176.9331 22 G 3.9998 9.1601 111.6418 44.9088 0.0000 173.6424 23 G 3.9509 7.8306 106.9983 44.8071 0.0000 171.2172 24 R 4.5094 7.7168 118.5262 55.5983 31.4143 177.0657 25 R 4.3384 8.4510 121.3063 54.3794 33.1915 175.3106 26 F 4.9147 8.7507 122.6937 57.3555 40.4984 174.6493 27 R 4.7201 8.0954 118.1935 55.1577 35.5014 174.0253 28 F 5.1068 9.0043 117.2511 56.0441 43.2143 174.4779 29 G 4.5833 9.4421 110.5930 44.5434 0.0000 172.2927 30 A 5.2729 8.7394 124.8608 49.9468 22.5422 174.5497 31 L 5.2288 9.7651 126.7535 53.7551 43.9652 175.3153 32 V 4.8707 9.7361 127.5029 61.1586 34.7245 174.7523 33 V 4.7650 9.1747 128.1419 61.9629 34.2284 175.0086 34 V 4.6629 8.1519 122.6905 60.8676 34.9166 172.9955 35 G 4.6004 9.3254 112.0315 44.7776 0.0000 172.5554 36 D 5.0393 8.4758 116.4355 52.1954 39.6273 176.2445 37 R 4.0778 7.9510 116.1179 57.6196 28.2213 176.4498 38 Q 4.4805 9.4887 114.2491 56.1875 30.4721 176.0343 39 G 4.0489 8.7610 105.6440 44.9403 0.0000 173.6199 40 R 4.9566 8.0880 118.5957 54.3050 33.3007 174.9326 41 V 4.8214 8.4523 116.4611 59.5135 36.6604 174.9249 42 G 4.6812 9.0328 110.1928 44.0814 0.0000 170.8929 43 L 4.9696 8.4342 125.0991 52.9139 44.3151 175.1163 44 G 4.3324 9.3505 113.2712 44.3881 0.0000 171.3845 45 F 6.0671 8.3678 125.4502 55.4659 42.0048 173.7688 46 G 4.2496 8.4375 112.5440 44.2712 0.0000 170.5938 47 K 5.7351 8.5694 119.3454 53.6708 36.1389 175.1826 48 A 4.6986 8.3258 122.9654 50.3941 22.6256 175.3764 49 P 4.5778 0.0000 0.0000 64.4449 31.7518 177.1512 50 E 4.4664 8.0636 118.3377 53.4116 33.6119 174.9076 51 V 3.2718 7.3456 126.7658 66.6196 31.6308 175.8794 52 P 4.0950 0.0000 0.0000 66.5661 31.0388 177.5835 53 L 4.2300 7.8651 120.3374 58.3207 40.6044 179.2771 54 A 3.9488 7.8653 122.6939 55.0566 18.5612 179.2409 55 V 3.5357 8.4775 117.2106 66.3784 31.5778 177.7143 56 Q 3.9751 8.4804 119.3362 59.4587 28.7718 178.8176 57 K 3.9175 8.0193 119.9454 59.3422 32.1691 178.3226 58 A 4.2755 8.3988 121.5507 55.3937 18.3310 179.4736 59 G 3.6753 8.2657 103.9450 48.2388 0.0000 174.6706 60 Y 4.1836 8.0125 122.5610 60.6594 38.5236 178.2456 61 Y 4.0130 7.9383 115.5490 60.9031 38.2387 178.1408 62 A 4.4614 8.3152 123.3652 54.8537 18.2811 179.9549 63 R 3.8888 7.7779 114.7612 59.2761 30.2441 178.7298 64 R 4.1181 7.4029 115.6077 57.0029 31.6614 175.9391 65 N 4.9666 8.0825 116.7449 52.4958 38.7647 171.4460 66 M 4.9012 8.0259 119.8469 53.4590 34.2948 175.7167 67 V 4.2898 8.9409 123.6573 61.0119 34.3935 174.0795 68 E 4.6455 8.7218 129.0063 55.1447 30.0740 175.7137 69 V 3.9620 8.8472 129.9553 60.7964 31.7734 175.3624 70 P 4.6150 0.0000 0.0000 62.3752 28.6182 176.0728 71 L 4.3346 7.5507 124.5900 56.3086 42.6305 178.1769 72 Q 4.3933 8.6160 119.5770 55.9087 30.7052 174.3395 73 N 4.1687 9.3246 124.7209 54.4730 37.5228 175.1534 74 G 3.9113 8.5742 103.8428 45.2728 0.0000 172.9353 75 T 4.8607 7.3689 113.6534 60.1419 70.6097 172.1218 76 I 4.6150 7.9396 122.3376 58.9692 38.6775 174.3511 77 P 4.6027 0.0000 0.0000 65.9556 31.5747 175.2146 78 H 4.7418 7.4670 113.9219 54.4114 31.2611 171.9556 79 E 5.0164 8.9952 116.6289 55.1285 32.3530 175.6800 80 I 4.7394 8.3266 123.0359 59.5514 42.0349 174.3371 81 E 4.9671 8.7124 124.3105 54.8375 32.0725 174.4588 82 V 4.4834 8.6165 127.6139 61.0931 34.3224 173.9068 83 E 4.9980 8.8547 126.8562 54.6994 31.6961 175.4719 84 F 4.7338 9.3604 127.0935 56.9553 41.6565 176.1070 85 G 3.7046 8.2170 121.3155 46.4892 0.0000 172.6079 86 A 4.6364 8.7026 127.4651 51.3381 20.7568 175.4740 87 S 5.3435 7.9319 113.2416 56.3475 64.8926 173.2597 88 K 5.0674 9.0375 125.9440 54.5136 35.3544 174.3808 89 I 4.8712 8.8357 126.5194 59.1121 41.3952 173.8967 90 V 4.8052 8.5164 128.8040 61.1198 33.9018 173.9542 91 L 5.1818 8.7789 127.7569 52.8194 44.7508 175.4734 92 K 4.7403 9.5237 124.7106 53.6978 35.5777 173.7437 93 P 4.8101 0.0000 0.0000 63.0952 32.0529 175.3845 94 A 4.8285 8.6982 122.3754 49.9980 22.4934 176.0753 95 A 4.1594 8.5531 122.8079 51.1063 19.3137 175.7671 96 P 5.2691 0.0000 0.0000 63.4730 31.8202 177.5874 97 G 3.9866 8.9309 108.4650 45.9463 0.0000 174.8862 98 T 3.9367 7.5798 114.9624 65.9339 68.9945 175.5618 99 G 3.8056 8.9150 107.1100 43.5099 0.0000 172.2670 100 V 4.1798 7.7612 118.4543 61.8529 30.8203 175.3303 101 I 4.3107 8.6696 128.2624 59.6450 36.4422 174.2823 102 A 5.3562 7.3984 126.8071 48.6344 23.0871 176.4275 103 G 3.8261 8.4600 104.8048 45.0581 0.0000 173.2140 104 A 4.2595 8.4362 120.0936 54.5069 18.6522 180.1375 105 V 3.5954 7.6372 116.6929 65.6327 32.0493 176.4281 106 P 4.2105 0.0000 0.0000 65.1275 30.8873 178.4581 107 R 3.8646 7.5661 115.9587 59.3338 29.6226 178.4517 108 A 3.4345 7.4101 120.4087 54.0174 18.6383 179.2178 109 I 3.9433 7.5057 117.8206 63.8602 37.7251 177.7015 110 L 4.0356 7.6096 119.2946 58.0485 41.5362 179.2879 111 E 3.9422 8.9016 119.2735 59.7877 29.5615 179.6256 112 L 4.1333 7.5757 116.1427 56.6781 41.7205 178.6451 113 A 4.2449 8.2697 121.0532 52.8466 18.2462 178.6572 114 G 3.7629 7.8158 105.5613 45.2988 0.0000 173.5687 115 V 4.0608 7.4141 118.1864 62.0456 32.6534 175.0896 116 T 4.4842 9.1987 120.0509 62.7793 70.4877 173.2277 117 D 5.2046 7.6181 120.7899 52.5793 44.1932 174.9702 118 I 4.5702 9.0277 121.6046 60.1884 42.3279 172.5450 119 L 5.1768 9.1585 128.5202 53.3174 44.1298 175.7382 120 T 5.5916 8.2855 112.2786 59.6484 73.4881 172.7576 121 K 4.5385 8.1528 120.2750 55.6895 35.5940 173.7477 122 E 4.5038 8.9625 128.0736 55.8615 30.0835 175.8912 123 L 4.6389 8.7528 124.6650 53.0649 45.2002 177.9684 124 G 3.8495 8.7581 108.1374 46.6237 0.0000 175.4115 125 S 4.2383 9.8564 121.7159 57.9619 62.3318 174.6974 126 R 4.2298 8.5780 125.6378 56.3652 30.0697 175.5535 127 N 4.0607 7.9310 117.8844 53.7182 38.5611 172.7056 128 P 4.0935 0.0000 0.0000 66.4211 31.3424 178.1462 129 I 3.5480 7.6471 116.6464 65.4555 37.3750 177.9345 130 N 4.6219 8.4014 116.6883 56.2459 38.3400 177.8924 131 I 3.7190 8.1913 121.7393 64.5589 37.2121 177.6333 132 A 3.9589 8.5326 121.7791 55.7914 18.1733 178.9530 133 Y 3.7819 8.6351 113.7410 61.0167 37.8629 179.3630 134 A 3.8809 7.8500 121.3467 55.4713 18.5706 179.4345 135 T 3.8146 8.1117 114.4529 67.2673 68.5989 176.2394 136 M 3.8624 8.0073 120.2219 58.8262 32.1038 178.9211 137 E 3.8783 8.0899 117.9172 59.1631 29.3953 179.0079 138 A 3.9856 8.2857 120.0919 55.8415 18.6458 179.1208 139 L 3.9134 8.6223 117.5788 57.6183 41.4428 179.6917 140 R 3.2204 8.4914 120.7584 59.4240 30.2746 177.7648 141 Q 4.3123 7.6182 115.3431 55.3218 29.6127 176.0812 142 L 4.0442 8.1506 121.5944 55.2436 42.1776 176.5771 143 R 4.7970 8.2377 119.8301 54.3541 34.0347 175.3001 144 T 4.7077 8.3693 114.7272 60.6083 73.4180 175.0966 145 K 3.8319 8.6721 124.5133 60.3892 32.2650 177.9880 146 A 4.1778 8.1202 120.9228 54.7850 18.0761 178.7054 147 D 4.3603 8.0851 115.0436 57.5239 41.1919 179.5423 148 V 3.5714 8.4438 118.7825 66.0635 31.6279 177.7524 149 E 4.1493 8.8630 116.6531 58.2680 29.3383 178.8382 150 R 4.0166 7.7311 120.3157 59.3809 30.1350 178.0438 151 L 3.9823 7.6723 117.2900 57.6704 41.6867 178.3412 152 R 4.2904 7.6827 114.3758 56.1437 29.7780 177.4078 153 K 3.9129 7.2483 120.5210 54.9548 33.1448 175.8595 154 G 3.5017 7.7383 110.7839 46.5560 0.0000 173.6937 *155 E 4.1319 7.8729 117.0859 56.3651 30.4399 177.3264 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 5 D 8.36 4.53 0.00 2.49 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 0.00 0.00 0.00 0.00 6 F 9.25 4.84 0.00 3.03 2.86 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 7 E 9.25 4.87 0.00 2.05 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 2.23 2.26 0.00 8 E 8.59 5.36 0.00 2.08 1.85 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 2.20 2.15 0.00 9 K 8.69 4.79 0.00 1.81 1.63 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 10 M 8.46 4.84 0.00 2.08 2.09 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 2.52 2.57 0.00 11 I 9.08 4.05 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 1.29 0.81 0.93 0.00 0.00 12 L 7.50 4.65 0.00 1.68 1.74 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.71 5.94 1.97 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 1.07 1.08 0.97 0.00 0.00 14 R 8.80 4.84 0.00 1.93 2.12 0.00 2.99 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 15 R 8.84 4.91 0.00 1.86 1.88 0.00 2.38 0.00 0.00 2.25 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.00 16 T 8.19 4.50 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 1.27 0.00 0.00 17 A 8.10 4.62 0.98 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 0.00 0.00 18 R 8.57 4.62 0.00 1.82 1.95 0.00 2.69 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 19 M 8.33 4.87 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 20 Q 8.81 4.33 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 21 A 8.60 3.99 1.26 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 0.00 0.00 22 G 9.16 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 23 G 7.83 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 24 R 7.72 4.51 0.00 1.06 1.26 0.00 3.04 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 25 R 8.45 4.34 0.00 1.58 1.75 0.00 3.08 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 26 F 8.75 4.91 0.00 2.65 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 27 R 8.10 4.72 0.00 1.63 1.76 0.00 3.06 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 1.57 1.59 0.00 28 F 9.00 5.11 0.00 3.15 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 29 G 9.44 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 5.27 1.32 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 31 L 9.77 5.23 0.00 1.87 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.74 4.87 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 0.87 0.00 0.00 0.99 0.00 0.00 33 V 9.17 4.76 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 0.91 0.00 0.00 0.94 0.00 0.00 34 V 8.15 4.66 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 0.59 0.00 0.00 0.94 0.00 0.00 35 G 9.33 4.60 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 0.00 0.00 0.00 36 D 8.48 5.04 0.00 2.92 3.21 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 37 R 7.95 4.08 0.00 1.98 2.02 0.00 3.27 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 38 Q 9.49 4.48 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 39 G 8.76 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 40 R 8.09 4.96 0.00 2.12 1.78 0.00 3.16 0.00 0.00 3.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 41 V 8.45 4.82 1.97 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 0.78 0.00 0.00 0.85 0.00 0.00 42 G 9.03 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.43 4.97 0.00 1.52 1.23 0.46 0.97 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 44 G 9.35 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 0.00 0.00 0.00 0.00 45 F 8.37 6.07 0.00 2.98 3.01 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 46 G 8.44 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 47 K 8.57 5.74 0.00 1.48 1.68 0.00 0.61 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 0.98 7.81 48 A 8.33 4.70 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 49 P 0.00 4.58 0.00 2.13 2.21 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 50 E 8.06 4.47 0.00 2.04 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 0.00 2.21 2.27 0.00 51 V 7.35 3.27 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 0.86 0.00 0.00 0.15 0.00 0.00 52 P 0.00 4.10 0.00 2.14 1.92 0.00 3.46 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 2.04 2.09 0.00 53 L 7.87 4.23 0.00 1.85 1.92 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.87 3.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.48 3.54 2.23 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 1.01 0.00 0.00 0.98 0.00 0.00 56 Q 8.48 3.98 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 57 K 8.02 3.92 0.00 2.18 2.03 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.84 1.47 7.81 58 A 8.40 4.28 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 0.00 0.00 59 G 8.27 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.01 4.18 0.00 2.97 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 61 Y 7.94 4.01 0.00 3.24 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 62 A 8.32 4.46 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 63 R 7.78 3.89 0.00 1.89 2.09 0.00 3.21 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 64 R 7.40 4.12 0.00 1.73 1.85 0.00 2.48 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 65 N 8.08 4.97 0.00 2.81 2.68 0.00 0.00 7.02 7.36 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 66 M 8.03 4.90 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 67 V 8.94 4.29 2.02 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 0.91 0.00 0.00 0.87 0.00 0.00 68 E 8.72 4.65 0.00 1.99 1.86 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 2.24 2.35 0.00 69 V 8.85 3.96 2.05 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 0.79 0.00 0.00 0.89 0.00 0.00 70 P 0.00 4.62 0.00 2.19 2.06 0.00 3.80 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 1.94 1.95 0.00 71 L 7.55 4.33 0.00 1.65 1.64 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.62 4.39 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.31 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 73 N 9.32 4.17 0.00 2.84 2.87 0.00 0.00 7.41 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 74 G 8.57 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 0.00 0.00 0.00 75 T 7.37 4.86 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 1.27 0.00 0.00 76 I 7.94 4.62 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 1.45 0.55 0.95 0.00 0.00 77 P 0.00 4.60 0.00 2.17 2.14 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 78 H 7.47 4.74 0.00 3.05 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.00 5.02 0.00 1.82 2.02 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 2.21 2.38 0.00 80 I 8.33 4.74 1.89 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 1.32 0.86 0.95 0.00 0.00 81 E 8.71 4.97 0.00 1.91 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 2.19 2.29 0.00 82 V 8.62 4.48 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 1.06 0.00 0.00 0.94 0.00 0.00 83 E 8.85 5.00 0.00 1.91 1.87 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 2.24 2.29 0.00 84 F 9.36 4.73 0.00 2.95 3.06 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 0.00 0.00 0.00 0.00 85 G 8.22 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 86 A 8.70 4.64 1.22 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 87 S 7.93 5.34 0.00 4.05 3.84 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 88 K 9.04 5.07 0.00 1.80 1.74 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.84 4.87 1.89 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 1.12 1.60 0.97 0.00 0.00 90 V 8.52 4.81 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 0.93 0.00 0.00 0.97 0.00 0.00 91 L 8.78 5.18 0.00 1.63 1.52 0.92 0.26 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 92 K 9.52 4.74 0.00 1.74 1.68 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 93 P 0.00 4.81 0.00 2.12 2.28 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.70 4.83 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 95 A 8.55 4.16 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 96 P 0.00 5.27 0.00 2.05 2.00 0.00 3.74 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 97 G 8.93 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 98 T 7.58 3.94 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 1.21 0.00 0.00 99 G 8.91 3.81 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 0.00 0.00 0.00 100 V 7.76 4.18 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 0.82 0.00 0.00 0.98 0.00 0.00 101 I 8.67 4.31 1.99 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 1.16 1.11 0.91 0.00 0.00 102 A 7.40 5.36 1.17 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 0.00 0.00 103 G 8.46 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 0.00 104 A 8.44 4.26 1.32 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 0.00 105 V 7.64 3.60 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 1.09 0.00 0.00 0.94 0.00 0.00 106 P 0.00 4.21 0.00 2.29 2.30 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 107 R 7.57 3.86 0.00 2.17 2.49 0.00 2.79 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 108 A 7.41 3.43 1.36 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 0.00 109 I 7.51 3.94 1.99 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 1.58 0.97 0.85 0.00 0.00 110 L 7.61 4.04 0.00 1.83 1.71 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.90 3.94 0.00 1.91 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 2.33 2.53 0.00 112 L 7.58 4.13 0.00 1.83 1.63 1.00 0.94 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 0.00 113 A 8.27 4.24 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 0.00 114 G 7.82 3.76 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 0.00 0.00 0.00 115 V 7.41 4.06 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 0.86 0.00 0.00 0.91 0.00 0.00 116 T 9.20 4.48 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 1.26 0.00 0.00 117 D 7.62 5.20 0.00 2.68 2.62 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 0.00 118 I 9.03 4.57 1.86 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 1.23 1.25 0.90 0.00 0.00 119 L 9.16 5.18 0.00 1.69 1.54 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.29 5.59 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 1.21 0.00 0.00 121 K 8.15 4.54 0.00 1.86 1.65 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.51 7.81 122 E 8.96 4.50 0.00 1.90 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 2.30 2.34 0.00 123 L 8.75 4.64 0.00 1.58 1.54 0.92 0.60 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 0.00 124 G 8.76 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 0.00 125 S 9.86 4.24 0.00 3.69 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 0.00 126 R 8.58 4.23 0.00 1.84 1.95 0.00 3.64 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 127 N 7.93 4.06 0.00 2.71 2.74 0.00 0.00 7.14 7.89 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 0.00 128 P 0.00 4.09 0.00 2.18 2.04 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 129 I 7.65 3.55 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.21 0.66 0.00 0.00 130 N 8.40 4.62 0.00 2.76 3.16 0.00 0.00 7.18 7.07 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 0.00 131 I 8.19 3.72 2.12 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 1.70 1.01 0.98 0.00 0.00 132 A 8.53 3.96 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 0.00 133 Y 8.64 3.78 0.00 2.44 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 0.00 0.00 0.00 134 A 7.85 3.88 1.45 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 0.00 0.00 135 T 8.11 3.81 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 1.18 0.00 0.00 136 M 8.01 3.86 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 137 E 8.09 3.88 0.00 2.14 1.97 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 2.22 2.46 0.00 138 A 8.29 3.99 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 0.00 139 L 8.62 3.91 0.00 1.80 1.63 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.49 3.22 0.00 1.76 2.17 0.00 3.49 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 141 Q 7.62 4.31 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 142 L 8.15 4.04 0.00 1.51 1.53 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.24 4.80 0.00 1.83 1.83 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 144 T 8.37 4.71 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 145 K 8.67 3.83 0.00 1.81 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 146 A 8.12 4.18 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 0.00 147 D 8.09 4.36 0.00 2.81 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 0.00 148 V 8.44 3.57 2.23 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 1.06 0.00 0.00 1.00 0.00 0.00 149 E 8.86 4.15 0.00 2.19 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 0.00 2.57 2.35 0.00 150 R 7.73 4.02 0.00 1.94 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 151 L 7.67 3.98 0.00 1.85 1.73 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.68 4.29 0.00 1.84 1.96 0.00 3.16 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 153 K 7.25 3.91 0.00 2.02 1.80 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 154 G 7.74 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 0.00 0.00 0.00 *155 E 7.87 4.13 0.00 1.75 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.