NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2548 0.0000 0.0000 61.6371 32.7836 175.8786 6 R 3.0606 8.1801 119.8139 55.7075 30.5256 174.0252 7 P 4.6508 0.0000 0.0000 63.6393 33.0618 174.8304 8 L 5.4789 9.1815 122.8294 52.9113 44.5976 177.6975 9 R 3.4730 8.8704 123.4243 60.3565 30.1172 179.3944 10 E 4.2813 8.1936 111.0395 57.7368 29.8000 179.3837 11 Q 4.3628 8.2595 115.2625 56.9568 29.2694 175.1762 12 Y 4.5484 7.9126 118.2564 56.6705 40.9864 176.1399 13 L 4.3347 8.3993 122.8092 55.7378 42.2515 175.5483 14 H 5.0819 7.6737 117.1763 54.1311 33.4292 172.5773 15 F 5.2163 8.2732 120.9997 55.7342 42.4997 174.1864 16 Q 4.6461 8.5663 122.7256 53.5102 32.2592 172.2222 17 P 4.6400 0.0000 0.0000 63.0935 32.0848 175.8075 18 I 4.5803 8.3412 122.7495 59.2332 40.3748 175.2962 19 S 4.5039 8.5767 119.6457 58.1503 63.9477 174.0250 20 T 4.6141 8.3534 112.7596 61.1600 70.3166 173.7622 21 R 4.7545 9.6452 122.0489 53.6772 33.4497 176.8380 22 W 2.7280 8.2371 129.3625 60.5532 30.3621 176.9438 23 H 4.5373 7.9602 113.4306 56.0557 29.8010 175.0197 24 D 4.4287 7.8997 119.8890 57.9821 40.9169 177.0089 25 N 4.6291 7.5081 116.3851 53.3329 39.1704 174.7095 26 D 4.8024 8.7529 122.7032 51.5425 41.8819 176.8493 27 I 3.5832 7.8811 111.3909 63.5838 37.3494 176.0150 28 Y 4.5973 8.1528 117.9654 58.0614 38.1406 176.4388 29 G 3.8290 8.6261 108.9732 45.2096 0.0000 172.4118 30 H 5.1232 7.7025 115.5486 53.0412 33.2275 173.0610 31 V 4.1523 8.9630 120.7544 63.2071 31.8276 175.4456 32 N 4.6210 9.0770 127.3873 53.2097 39.8578 175.5352 33 N 3.9430 8.8588 122.0700 55.8723 37.5652 177.3245 34 V 3.9089 7.9739 117.9738 66.0736 31.5852 178.1393 35 T 3.6143 7.9531 115.5869 66.4961 68.2724 175.9871 36 Y 3.7510 7.6931 117.8755 61.1536 37.7251 178.3510 37 Y 3.6601 7.8764 117.4259 60.3977 37.8543 177.8769 38 A 4.0071 7.6040 121.5865 55.0385 18.5430 179.4739 39 F 4.5250 7.6941 116.2723 60.7597 38.9188 177.9050 40 F 4.5845 8.2116 117.1013 60.8538 38.7991 177.2664 41 D 4.2987 8.4681 117.6701 57.5309 40.9360 178.3631 42 T 3.8763 8.4234 116.2956 66.5879 68.5014 176.3133 43 A 4.3529 8.5231 124.2808 54.6847 18.4638 179.7434 44 V 3.4083 7.9704 116.4791 66.4263 31.6368 177.9927 45 N 4.6176 8.3313 115.7878 55.9745 38.3237 177.5973 46 T 3.9242 8.2713 117.9265 66.8563 68.6084 175.6912 47 Y 3.9914 7.9040 120.8094 60.8929 38.7820 178.2797 48 L 4.2526 8.2217 119.7907 57.5569 41.8368 179.6570 49 I 4.0017 7.8883 119.9696 64.3513 36.9525 178.3079 50 E 3.9846 8.2640 118.4412 58.9218 29.5179 178.5031 51 R 4.2897 8.0744 116.1733 56.2256 31.0129 176.6551 52 G 3.7478 7.7466 105.0774 44.6478 0.0000 174.2177 53 G 3.8344 7.8193 108.7923 46.5831 0.0000 174.5229 54 L 3.9112 8.0266 119.6826 54.5392 41.2196 180.2660 55 D 4.8675 8.5041 123.1221 51.4835 41.1142 176.2691 56 I 3.8184 8.2787 122.6926 63.7629 38.4575 178.7742 57 Q 4.1624 8.4003 119.1887 57.4246 28.1417 181.4691 58 G 4.2190 8.1206 102.8519 44.3118 0.0000 173.0334 59 G 3.7524 8.3671 111.5157 46.1973 0.0000 174.7036 60 E 4.3140 8.7239 118.7461 57.6065 31.1782 176.5960 61 V 5.0860 7.8683 117.0574 61.5082 34.1068 174.7882 62 I 4.8471 9.0388 120.0091 59.1494 41.5166 174.0239 63 G 3.5791 8.6110 110.3069 44.4446 0.0000 172.7385 64 L 4.8017 8.4871 126.1072 52.7586 44.2244 176.0680 65 V 4.4041 8.4671 124.0775 63.2862 31.4898 175.7873 66 V 4.5131 8.5778 120.8918 61.5229 33.5325 175.6327 67 S 4.8122 7.9516 113.5379 57.9840 65.7889 173.9387 68 S 5.4805 8.4885 114.3060 58.1376 65.9512 173.0467 69 S 4.9203 9.3462 113.7866 58.4083 66.5178 173.3390 70 C 4.9056 8.5157 119.5288 58.4588 34.3567 172.4403 71 D 4.7466 8.8472 126.0167 52.5299 43.4759 174.7638 72 Y 4.3024 8.0811 119.6811 56.4936 39.3295 175.0293 73 F 4.9687 8.8907 123.6289 58.6109 40.8252 176.6289 74 A 4.7376 7.8226 118.6238 49.7651 22.0547 173.6236 75 P 4.7423 0.0000 0.0000 62.7378 32.6987 175.7600 76 V 4.8838 8.1436 110.2896 59.7230 35.9343 174.4416 77 A 5.2305 9.2927 123.1606 48.8292 22.6515 175.6863 78 F 4.3900 9.5673 122.8067 57.7917 39.6865 173.1356 79 P 4.1626 0.0000 0.0000 62.2339 31.6594 175.7930 80 Q 4.0369 8.1923 118.0438 57.2056 29.5096 176.3680 81 R 4.4832 8.3869 120.2627 55.5013 31.7032 175.5620 82 I 4.9613 7.9479 117.0584 59.3676 41.1900 174.3713 83 E 5.0936 8.1513 122.6076 54.2079 33.7965 174.5679 *85 G 3.7155 8.6007 107.8289 47.0112 0.0000 171.8341 86 L 5.3876 8.4384 124.3070 53.1259 45.6183 175.3109 87 R 4.9015 9.1657 121.4930 54.8114 33.7100 173.6812 88 V 4.0221 8.5640 120.5884 62.5077 32.7487 174.4160 89 A 4.2067 9.4578 134.6222 53.0792 18.0195 177.7238 90 R 4.4481 8.1050 113.3546 53.9842 32.7036 178.1291 91 L 4.7366 8.5228 125.3058 52.6356 43.1774 175.5793 92 G 4.1162 8.2266 118.4648 44.3378 0.0000 171.3816 93 N 4.4558 8.8720 116.4895 56.4020 39.2907 177.1457 94 S 5.1472 8.3170 110.5284 57.0409 65.6605 173.6837 95 S 5.3623 7.9671 113.9294 56.7881 66.9054 173.2047 96 V 4.7807 8.6590 119.5224 60.1263 35.2458 173.7579 97 Q 4.5678 8.8459 125.1220 54.6486 30.8811 173.8649 98 Y 4.7381 8.3179 125.3958 57.1869 39.8708 174.4879 99 E 5.0660 9.4677 122.7951 54.6292 32.5161 175.1545 100 L 5.2987 8.9874 123.1235 52.9980 46.1630 175.3961 101 A 4.8023 8.2607 122.2765 50.2331 22.5514 175.2085 102 L 4.6471 8.5647 123.8650 53.6401 44.0470 175.3246 103 F 5.2673 9.1691 124.7544 55.5905 42.6758 174.7405 104 L 4.7499 8.7530 123.8780 54.3557 43.3896 176.7117 105 E 3.8436 8.3200 117.0800 57.5762 29.6939 177.7986 106 G 3.9698 8.7576 111.4381 45.3729 0.0000 172.5587 107 Q 4.6546 7.9507 117.9949 53.7418 30.9462 176.0124 108 R 4.0834 8.6165 122.8898 59.2489 31.3370 176.0665 109 E 5.1233 8.2174 116.7866 55.3112 30.6610 176.6591 110 A 3.7343 9.1665 126.1892 52.2564 18.7484 177.8267 111 C 4.5042 9.5495 118.9612 62.1142 29.4705 173.3449 112 A 4.3074 7.7975 117.6025 51.5651 22.0772 174.9274 113 A 4.7829 8.1108 119.0972 51.6691 23.3558 176.4904 114 G 4.0492 8.7647 106.9716 46.1472 0.0000 171.9470 115 R 5.4662 8.9593 117.1488 54.4871 35.1614 174.3240 116 F 5.4142 8.2395 114.5034 56.1391 41.7617 172.6075 117 V 5.3589 8.7676 119.6583 60.9519 33.6965 174.1475 118 H 5.3364 8.8447 124.8074 54.9876 30.7401 174.0330 119 V 4.7597 8.6630 122.9371 61.2298 34.0147 174.4091 120 F 4.9850 9.3796 127.0212 56.9447 40.2074 175.3230 121 V 5.0206 9.1393 119.1137 59.6578 36.2256 175.4316 122 E 4.5696 9.2157 123.6699 57.3237 29.9115 179.8311 123 R 3.9624 8.8213 128.0593 59.3160 29.5375 175.9250 124 R 4.3106 8.1599 117.4489 58.8651 30.5424 182.1707 125 S 4.2987 7.9901 113.7727 59.1969 62.5809 177.4594 126 S 4.2198 8.4462 116.2213 58.9913 60.9302 169.9282 127 R 4.3201 7.6228 121.9180 55.5523 30.4233 178.7022 128 P 4.9095 0.0000 0.0000 62.6779 31.6074 176.0106 129 V 4.6606 9.2125 121.9013 59.3856 35.3538 174.5545 130 A 4.4535 8.7654 123.8516 52.5350 18.7436 177.5198 131 I 3.5968 8.5285 124.3674 60.7876 37.8141 174.8551 132 P 4.2757 0.0000 0.0000 62.9656 32.2216 177.6538 133 Q 4.0312 9.1014 126.6737 61.4808 27.3744 179.8497 134 E 4.2186 8.2566 122.2847 61.3069 29.7213 181.6098 135 L 4.1559 7.6848 122.3206 59.4587 41.0498 181.5378 136 R 4.1058 8.4751 122.8735 60.0801 29.9482 178.9845 137 D 4.3715 8.4787 120.8326 58.0554 39.6271 180.3348 138 A 4.2955 7.5197 120.1773 55.2322 18.6610 179.5157 139 L 4.2041 8.2453 117.3000 57.9766 41.7617 179.5814 140 A 4.0001 8.3650 120.6986 54.9928 18.0675 179.4450 141 A 4.1023 8.0090 118.3723 54.5350 18.6324 178.1695 142 L 4.3257 7.7863 116.3196 54.8427 42.1025 177.0306 143 Q 4.5686 7.7501 123.4197 55.5204 28.6548 175.7066 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 P 0.00 4.25 0.00 2.01 2.00 0.00 3.66 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 1.90 2.09 0.00 6 R 8.18 3.06 0.00 1.57 1.63 0.00 3.09 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 7 P 0.00 4.65 0.00 2.20 2.46 0.00 3.43 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 8 L 9.18 5.48 0.00 1.69 1.63 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.87 3.47 0.00 1.67 1.85 0.00 2.81 0.00 0.00 2.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 10 E 8.19 4.28 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 2.23 1.90 0.00 11 Q 8.26 4.36 0.00 2.25 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 12 Y 7.91 4.55 0.00 2.86 2.49 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 13 L 8.40 4.33 0.00 1.66 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.67 5.08 0.00 3.07 2.93 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.27 5.22 0.00 2.85 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 16 Q 8.57 4.65 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 P 0.00 4.64 0.00 2.11 2.03 0.00 3.80 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 2.00 2.01 0.00 18 I 8.34 4.58 1.45 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.95 0.00 0.00 19 S 8.58 4.50 0.00 4.05 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 20 T 8.35 4.61 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 R 9.65 4.75 0.00 1.80 1.81 0.00 3.20 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 22 W 8.24 2.73 0.00 2.92 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 23 H 7.96 4.54 0.00 3.18 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.90 4.43 0.00 2.95 2.73 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 0.00 0.00 0.00 25 N 7.51 4.63 0.00 2.53 2.58 0.00 0.00 6.72 7.96 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 26 D 8.75 4.80 0.00 2.65 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 27 I 7.88 3.58 1.63 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 0.90 -0.36 0.77 0.00 0.00 28 Y 8.15 4.60 0.00 3.10 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 29 G 8.63 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 30 H 7.70 5.12 0.00 3.12 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.96 4.15 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 0.65 0.00 0.00 1.09 0.00 0.00 32 N 9.08 4.62 0.00 2.74 2.59 0.00 0.00 6.56 6.29 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 33 N 8.86 3.94 0.00 2.10 2.21 0.00 0.00 5.81 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 34 V 7.97 3.91 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 1.08 0.00 0.00 0.94 0.00 0.00 35 T 7.95 3.61 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 0.80 0.00 0.00 36 Y 7.69 3.75 0.00 2.88 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 37 Y 7.88 3.66 0.00 3.18 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 38 A 7.60 4.01 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.69 4.52 0.00 3.29 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 40 F 8.21 4.58 0.00 3.33 3.33 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 41 D 8.47 4.30 0.00 3.04 2.68 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 42 T 8.42 3.88 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 1.31 0.00 0.00 43 A 8.52 4.35 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 44 V 7.97 3.41 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 0.49 0.00 0.00 0.24 0.00 0.00 45 N 8.33 4.62 0.00 2.96 2.93 0.00 0.00 7.09 7.12 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 46 T 8.27 3.92 4.67 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 1.34 0.00 0.00 47 Y 7.90 3.99 0.00 3.16 3.19 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 0.00 48 L 8.22 4.25 0.00 1.98 1.83 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.89 4.00 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.06 0.98 0.00 0.00 50 E 8.26 3.98 0.00 1.97 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 2.34 2.31 0.00 51 R 8.07 4.29 0.00 1.28 0.98 0.00 3.16 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.30 0.00 52 G 7.75 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 53 G 7.82 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 54 L 8.03 3.91 0.00 1.65 1.50 0.92 0.81 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 55 D 8.50 4.87 0.00 2.72 2.59 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 0.00 0.00 0.00 0.00 56 I 8.28 3.82 1.90 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 1.30 0.73 0.96 0.00 0.00 57 Q 8.40 4.16 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 58 G 8.12 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 59 G 8.37 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 60 E 8.72 4.31 0.00 1.67 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 2.29 1.87 0.00 61 V 7.87 5.09 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 1.20 0.00 0.00 0.97 0.00 0.00 62 I 9.04 4.85 1.90 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 1.20 1.03 0.96 0.00 0.00 63 G 8.61 3.58 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 64 L 8.49 4.80 0.00 1.52 1.55 0.91 0.51 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 65 V 8.47 4.40 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 0.69 0.00 0.00 0.71 0.00 0.00 66 V 8.58 4.51 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 0.77 0.00 0.00 0.97 0.00 0.00 67 S 7.95 4.81 0.00 3.90 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 68 S 8.49 5.48 0.00 4.33 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 69 S 9.35 4.92 0.00 3.98 4.06 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 70 C 8.52 4.91 0.00 2.27 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 0.00 0.00 0.00 0.00 71 D 8.85 4.75 0.00 2.30 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 0.00 0.00 0.00 0.00 72 Y 8.08 4.30 0.00 2.51 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 73 F 8.89 4.97 0.00 2.90 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 74 A 7.82 4.74 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 75 P 0.00 4.74 0.00 1.74 1.92 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 76 V 8.14 4.88 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 0.83 0.00 0.00 0.96 0.00 0.00 77 A 9.29 5.23 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 78 F 9.57 4.39 0.00 3.09 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 79 P 0.00 4.16 0.00 1.80 0.84 0.00 3.61 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 80 Q 8.19 4.04 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 81 R 8.39 4.48 0.00 1.74 1.82 0.00 3.04 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 82 I 7.95 4.96 1.65 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.83 0.83 0.00 0.00 83 E 8.15 5.09 0.00 2.01 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 2.19 2.08 0.00 *85 G 8.60 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 0.00 0.00 0.00 86 L 8.44 5.39 0.00 1.63 1.33 0.77 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.17 4.90 0.00 1.85 1.84 0.00 2.63 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 88 V 8.56 4.02 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 0.80 0.00 0.00 0.94 0.00 0.00 89 A 9.46 4.21 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 90 R 8.10 4.45 0.00 1.51 1.80 0.00 3.20 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 91 L 8.52 4.74 0.00 1.48 1.55 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.23 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 0.00 0.00 0.00 93 N 8.87 4.46 0.00 2.82 2.84 0.00 0.00 6.70 7.63 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 94 S 8.32 5.15 0.00 3.82 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 95 S 7.97 5.36 0.00 3.95 3.92 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 96 V 8.66 4.78 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 0.34 0.00 0.00 0.59 0.00 0.00 97 Q 8.85 4.57 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 98 Y 8.32 4.74 0.00 2.24 2.39 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 99 E 9.47 5.07 0.00 1.86 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 2.17 2.18 0.00 100 L 8.99 5.30 0.00 0.64 1.10 0.33 0.36 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 0.00 101 A 8.26 4.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.65 0.00 1.84 1.61 0.71 0.81 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 0.00 103 F 9.17 5.27 0.00 3.00 2.88 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 0.00 104 L 8.75 4.75 0.00 1.66 1.60 0.96 1.05 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 0.00 105 E 8.32 3.84 0.00 2.02 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 2.28 2.18 0.00 106 G 8.76 3.97 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 0.00 0.00 0.00 107 Q 7.95 4.65 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 108 R 8.62 4.08 0.00 1.90 1.95 0.00 3.15 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 109 E 8.22 5.12 0.00 1.96 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 2.32 2.37 0.00 110 A 9.17 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 9.55 4.50 0.00 2.94 3.33 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 0.00 112 A 7.80 4.31 1.06 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 0.00 0.00 113 A 8.11 4.78 1.41 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 0.00 114 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 0.00 115 R 8.96 5.47 0.00 1.84 1.85 0.00 3.18 0.00 0.00 3.33 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 116 F 8.24 5.41 0.00 3.40 3.34 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 0.00 117 V 8.77 5.36 2.17 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 0.89 0.00 0.00 0.95 0.00 0.00 118 H 8.84 5.34 0.00 3.19 2.64 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.66 4.76 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 1.11 0.00 0.00 0.94 0.00 0.00 120 F 9.38 4.98 0.00 3.13 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 0.00 121 V 9.14 5.02 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 0.78 0.00 0.00 0.95 0.00 0.00 122 E 9.22 4.57 0.00 1.64 1.84 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 2.24 2.14 0.00 123 R 8.82 3.96 0.00 1.63 1.88 0.00 3.22 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 124 R 8.16 4.31 0.00 1.82 1.86 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 125 S 7.99 4.30 0.00 3.63 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 0.00 126 S 8.45 4.22 0.00 4.06 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 0.00 127 R 7.62 4.32 0.00 1.50 1.81 0.00 3.28 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 128 P 0.00 4.91 0.00 1.95 2.08 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 129 V 9.21 4.66 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 0.86 0.00 0.00 0.96 0.00 0.00 130 A 8.77 4.45 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 0.00 131 I 8.53 3.60 1.78 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 1.33 0.85 0.40 0.00 0.00 132 P 0.00 4.28 0.00 2.07 1.91 0.00 3.27 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 133 Q 9.10 4.03 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 134 E 8.26 4.22 0.00 1.97 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 0.00 2.31 1.95 0.00 135 L 7.68 4.16 0.00 1.64 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.48 4.11 0.00 1.80 2.18 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 137 D 8.48 4.37 0.00 2.71 2.65 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 0.00 138 A 7.52 4.30 1.41 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 0.00 139 L 8.25 4.20 0.00 1.94 1.74 1.00 0.86 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 0.00 140 A 8.36 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.10 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 0.00 142 L 7.79 4.33 0.00 1.79 1.62 0.32 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.75 4.57 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.