NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3341 8.1844 120.6381 54.7529 42.8721 175.6139 8 H 4.4648 8.6593 122.3560 55.2356 31.0487 172.3793 9 K 4.6696 9.3401 127.2356 55.7918 33.3869 175.6020 10 E 4.8963 9.2912 125.2577 53.5786 32.5249 174.0603 11 P 4.9265 0.0000 0.0000 63.3220 32.3109 175.0423 12 A 4.9051 8.4830 121.9348 51.4576 23.0294 175.5707 13 T 4.6198 8.4424 115.2784 61.2500 71.9006 173.8828 14 L 4.2693 8.7205 128.3555 55.7880 42.3560 175.8161 15 I 4.4103 8.1141 125.5000 62.3613 39.7881 176.2422 16 K 4.3471 7.5150 118.5611 55.5113 35.3494 174.3811 17 A 4.4774 8.8573 130.6547 52.2354 19.1777 175.6432 18 I 4.3404 8.1172 120.3531 62.0220 39.7156 175.8164 19 D 4.5706 8.3497 117.3234 52.4889 42.0007 175.2866 20 G 3.9804 8.9303 107.8682 48.9038 0.0000 174.7009 21 N 5.0582 8.1665 117.0226 51.8900 37.9311 173.4619 22 T 5.2058 7.9512 114.7033 63.0190 73.0070 173.4776 23 V 4.8240 8.9110 117.6861 59.8951 37.1043 173.3589 24 K 5.0238 9.2282 124.8092 55.0101 34.1219 175.1947 25 L 5.2974 9.1582 126.2928 53.1603 46.8615 175.3073 26 M 4.7586 9.1655 121.6473 54.8704 32.8927 174.1701 27 Y 4.9666 9.3233 128.3708 56.3533 41.8103 175.1239 28 K 3.6962 9.0828 125.1383 58.3688 29.1653 174.4275 29 G 4.0918 7.7914 101.7811 45.7590 0.0000 171.0737 30 Q 4.7582 7.3716 112.8631 54.0594 32.0706 171.5916 31 P 4.9782 0.0000 0.0000 63.6772 32.4743 175.2758 32 M 4.5473 8.7110 118.8592 54.7627 36.4961 173.6330 33 V 4.3512 8.3408 126.2643 62.6880 33.3985 174.3185 34 F 5.0327 9.7738 126.6107 55.6032 41.6899 174.1306 35 R 4.9718 8.9437 124.2451 54.2141 31.9262 175.0891 36 L 4.5041 8.6721 127.8025 54.6859 42.3031 177.5858 37 L 3.8735 8.6924 124.8145 56.1259 42.3366 177.2081 38 L 3.6642 8.6123 119.0548 55.4278 39.4996 173.4982 39 V 4.8596 7.3427 116.6423 61.2117 33.5702 174.4782 40 D 4.9724 9.1320 127.8530 52.5258 43.9594 175.3085 41 I 4.1064 8.1645 123.6649 60.4870 38.1574 173.8662 42 P 4.0921 0.0000 0.0000 64.4473 30.3450 177.7379 *53 K 3.9924 8.6674 120.5769 57.8602 34.7552 177.2805 54 Y 5.3573 7.1759 115.9519 58.0019 38.6361 176.8324 55 G 3.7867 7.9160 108.5675 47.6563 0.0000 174.1957 56 P 4.2991 0.0000 0.0000 65.0127 31.4438 178.6028 57 E 4.0328 8.2160 116.8182 59.3504 29.4935 179.1063 58 A 4.0084 8.5691 120.9928 55.0108 18.4390 179.4554 59 A 3.9266 8.1991 119.0814 55.4066 18.5254 179.7092 60 A 3.9579 8.5297 119.6497 55.1273 18.4344 179.5825 61 F 4.0076 8.5050 119.1814 61.8685 39.5540 177.5265 62 T 3.8487 8.1552 115.2888 66.3692 68.2761 176.4404 63 K 3.8385 8.1637 121.5921 59.5522 32.3398 178.6943 64 K 3.8823 8.0330 119.7094 59.5873 31.8573 178.4290 65 M 3.8422 7.5585 117.4902 58.7129 32.1257 178.3081 66 V 3.7951 7.8554 112.2907 63.8524 31.5675 178.3994 67 E 3.8531 8.0478 117.7696 58.9479 29.5250 177.4884 68 N 4.5277 7.8400 113.0971 53.7378 39.0624 175.4057 69 A 4.3947 7.5042 121.4732 51.4036 18.8909 177.6324 70 K 4.4232 8.6911 119.8701 56.6696 33.6439 176.7799 71 K 4.5686 7.5396 118.6979 56.1223 35.8670 174.4611 72 I 5.1134 8.4486 124.2967 59.5573 40.7461 174.2422 73 E 5.1953 9.2746 124.6577 54.6950 34.2194 174.8970 74 V 4.7751 9.0873 115.2772 59.4307 35.4816 174.6402 75 A 5.2154 8.6940 125.4059 49.0455 21.6390 175.6167 76 F 4.5078 9.0643 121.3050 57.7049 40.2881 175.7856 77 D 4.9974 8.5623 121.0659 53.1924 43.1892 175.7894 78 K 4.3217 9.3833 118.1889 57.8447 33.4442 177.1405 79 G 4.5989 7.7728 109.3648 43.7679 0.0000 173.1056 80 Q 4.0799 8.5733 119.0209 56.6095 29.2794 176.8011 81 R 4.5477 8.5925 120.0149 57.0273 30.8570 176.1021 82 T 5.0863 7.4597 107.2875 59.9957 71.8258 173.4364 83 D 4.7810 8.5349 123.9990 51.8285 41.3168 177.1368 84 K 3.8213 8.3548 117.4222 60.2279 32.3293 177.2198 85 Y 4.3226 7.7299 114.5678 57.8160 37.6584 176.1062 86 G 3.9199 8.1182 107.7007 45.7082 0.0000 174.1095 87 R 4.3216 8.2844 119.5939 55.0615 31.7860 176.3578 88 G 3.6547 8.3741 111.0780 46.1978 0.0000 172.4768 89 L 5.1934 9.1695 124.9428 52.6398 42.8784 175.4765 90 A 4.3194 8.0789 124.5678 51.1254 23.3785 173.5093 91 Y 4.7079 8.5291 116.6202 57.0150 39.7867 175.3927 92 I 4.6906 8.7853 125.4300 59.7911 39.7836 174.1514 93 Y 5.0551 9.3604 124.2575 56.0310 40.9319 174.4852 94 A 4.8727 9.2214 126.0676 50.1905 21.5275 176.2370 95 D 4.2915 9.9137 125.1433 55.9158 38.9940 176.1443 96 G 4.0781 8.3526 104.7931 45.5528 0.0000 173.6573 97 K 4.5306 7.9413 120.5283 54.6990 33.8548 175.3970 98 M 3.8632 8.4451 123.2800 55.0129 33.0935 177.0747 99 V 3.5848 8.7531 127.2515 65.9832 31.6479 177.4436 100 N 4.2647 8.0753 115.8710 56.6130 38.4472 176.7716 101 E 3.8854 8.0249 119.5495 59.0930 29.8397 178.2687 102 A 4.0785 7.9760 120.8757 55.1994 18.3950 179.5448 103 L 3.4780 8.0881 117.2717 57.8256 41.6682 179.9323 104 V 3.8214 7.3616 119.3958 65.6475 31.3170 178.0189 105 R 4.0164 8.2183 117.2735 59.2102 29.9576 177.3186 106 Q 4.1880 7.8601 116.7792 55.5597 29.4185 175.8037 107 G 3.9755 8.1536 107.4373 47.5317 0.0000 174.9425 108 L 4.2027 7.6425 117.2547 54.0484 41.8256 176.1077 109 A 4.5439 7.1670 118.9617 51.0892 22.5056 175.6782 110 K 4.6756 8.4234 119.0668 54.5823 35.4468 175.8563 111 V 4.3377 8.8544 122.4866 62.7653 31.8752 175.8680 112 A 4.4153 8.3617 129.8988 50.8741 19.9423 176.7121 113 Y 4.3551 7.9901 116.7520 57.6981 38.6140 176.9130 114 V 3.8166 8.4867 122.8411 63.2366 32.4125 174.5909 115 Y 4.6116 8.5173 126.4858 57.1586 41.4868 175.7703 116 K 3.5394 9.0898 127.5603 57.4762 29.6111 176.0226 117 G 3.9787 8.0587 104.4990 45.8875 0.0000 174.1926 118 N 4.8714 8.1203 118.9050 51.8585 37.1414 174.1767 119 N 5.1642 8.1396 114.6807 52.2980 38.9384 177.0707 120 T 3.8401 8.3909 117.4715 67.2505 68.6850 174.7305 121 H 4.8113 8.3249 115.9464 55.6133 29.2828 176.1286 122 E 4.0015 8.3079 122.9046 59.7030 29.3516 179.0483 123 Q 3.9970 8.0635 117.3562 59.3171 28.8678 178.0653 124 H 4.1546 8.2696 118.7030 59.3740 29.8031 177.1339 125 L 4.0781 8.3072 120.9449 57.7625 41.4052 179.6047 126 R 3.9430 8.4433 118.4844 58.9519 29.8838 179.3538 127 K 3.8931 8.1118 118.1968 59.3448 32.0758 179.0378 128 A 3.9631 7.7581 120.5950 55.3102 18.2066 179.2121 129 E 3.8272 8.5105 117.7671 59.3198 29.6745 178.8711 130 A 3.6790 7.9890 120.8825 55.0959 18.3953 179.3645 131 Q 3.7931 8.1360 117.8589 59.2749 29.1938 178.2838 132 A 3.9270 8.0232 121.8539 55.0057 18.3730 179.5704 133 K 3.1787 7.6475 118.3618 59.2112 31.9184 179.0010 134 K 3.8662 7.9653 119.2235 59.2325 32.1789 177.7285 135 E 4.2255 8.0724 116.0466 55.4662 29.5979 176.3229 136 K 4.4834 7.9633 117.7252 55.9418 30.7388 174.6839 137 L 4.4620 7.9583 117.8479 55.7122 44.2830 178.1027 138 N 3.7864 9.6002 119.0445 52.7118 38.1346 176.9062 139 I 3.4985 5.4200 122.3823 63.7664 38.1232 177.1620 140 W 4.8467 7.9391 120.7732 56.4896 29.0753 176.5471 141 S 4.7851 8.2220 120.9471 58.5199 62.1507 174.1646 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 7 L 8.18 4.33 0.00 1.76 1.83 1.16 0.88 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 8 H 8.66 4.46 0.00 3.40 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.34 4.67 0.00 1.52 1.56 0.00 1.44 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.97 1.22 7.81 10 E 9.29 4.90 0.00 2.18 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 0.00 2.38 2.33 0.00 11 P 0.00 4.93 0.00 2.10 2.06 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 12 A 8.48 4.91 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 13 T 8.44 4.62 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 1.22 0.00 0.00 14 L 8.72 4.27 0.00 1.62 1.56 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.11 4.41 2.09 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 1.15 1.06 0.94 0.00 0.00 16 K 7.51 4.35 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.38 7.81 17 A 8.86 4.48 1.24 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 18 I 8.12 4.34 1.97 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 1.48 0.86 0.90 0.00 0.00 19 D 8.35 4.57 0.00 2.86 2.76 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 20 G 8.93 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 0.00 0.00 0.00 21 N 8.17 5.06 0.00 2.77 2.97 0.00 0.00 6.82 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 22 T 7.95 5.21 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 23 V 8.91 4.82 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 0.72 0.00 0.00 0.94 0.00 0.00 24 K 9.23 5.02 0.00 1.82 1.83 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 25 L 9.16 5.30 0.00 1.70 1.61 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.17 4.76 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.32 4.97 0.00 3.26 3.10 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 28 K 9.08 3.70 0.00 1.40 1.55 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.99 0.21 7.81 29 G 7.79 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 30 Q 7.37 4.76 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 31 P 0.00 4.98 0.00 2.15 2.14 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 8.71 4.55 0.00 2.33 1.98 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 2.23 1.74 0.00 33 V 8.34 4.35 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 1.00 0.00 0.00 0.94 0.00 0.00 34 F 9.77 5.03 0.00 3.05 2.83 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 35 R 8.94 4.97 0.00 1.84 1.74 0.00 3.10 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 36 L 8.67 4.50 0.00 1.51 1.58 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.69 3.87 0.00 1.17 1.30 0.35 0.75 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 38 L 8.61 3.66 0.00 1.94 1.78 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.34 4.86 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 0.76 0.00 0.00 1.02 0.00 0.00 40 D 9.13 4.97 0.00 2.55 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 41 I 8.16 4.11 1.84 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 1.31 0.82 0.89 0.00 0.00 42 P 0.00 4.09 0.00 1.95 1.76 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 *53 K 8.67 3.99 0.00 1.68 1.75 0.00 1.30 0.00 0.00 1.20 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 1.12 7.81 54 Y 7.18 5.36 0.00 2.93 2.89 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 55 G 7.92 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 56 P 0.00 4.30 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.22 4.03 0.00 2.39 2.12 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 2.57 2.51 0.00 58 A 8.57 4.01 1.42 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 59 A 8.20 3.93 1.42 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 60 A 8.53 3.96 1.42 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 61 F 8.51 4.01 0.00 3.27 3.25 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 62 T 8.16 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 1.25 0.00 0.00 63 K 8.16 3.84 0.00 1.87 2.04 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 64 K 8.03 3.88 0.00 1.89 1.76 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 65 M 7.56 3.84 0.00 1.95 1.67 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 66 V 7.86 3.80 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 0.80 0.00 0.00 1.04 0.00 0.00 67 E 8.05 3.85 0.00 1.94 1.98 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 2.32 2.50 0.00 68 N 7.84 4.53 0.00 2.77 2.82 0.00 0.00 7.01 6.72 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 69 A 7.50 4.39 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 70 K 8.69 4.42 0.00 1.88 1.91 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.35 7.81 71 K 7.54 4.57 0.00 1.80 1.90 0.00 1.43 0.00 0.00 1.81 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.46 7.81 72 I 8.45 5.11 2.04 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 1.32 0.89 0.83 0.00 0.00 73 E 9.27 5.20 0.00 1.89 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 2.19 2.25 0.00 74 V 9.09 4.78 1.35 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 0.59 0.00 0.00 75 A 8.69 5.22 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 76 F 9.06 4.51 0.00 3.08 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 77 D 8.56 5.00 0.00 2.73 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 78 K 9.38 4.32 0.00 1.89 1.98 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.53 7.81 79 G 7.77 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 80 Q 8.57 4.08 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 R 8.59 4.55 0.00 1.76 1.66 0.00 3.35 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.69 0.00 82 T 7.46 5.09 4.28 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 1.18 0.00 0.00 83 D 8.53 4.78 0.00 2.81 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 84 K 8.35 3.82 0.00 1.61 1.81 0.00 0.71 0.00 0.00 1.28 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.78 0.21 7.81 85 Y 7.73 4.32 0.00 3.12 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 86 G 8.12 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 0.00 0.00 0.00 87 R 8.28 4.32 0.00 1.93 1.87 0.00 3.11 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 G 8.37 3.65 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 0.00 0.00 0.00 89 L 9.17 5.19 0.00 1.59 1.64 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.08 4.32 0.73 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 0.00 0.00 91 Y 8.53 4.71 0.00 3.02 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 92 I 8.79 4.69 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 0.78 0.00 0.00 93 Y 9.36 5.06 0.00 2.84 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 94 A 9.22 4.87 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 95 D 9.91 4.29 0.00 2.82 2.71 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 96 G 8.35 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 97 K 7.94 4.53 0.00 1.87 1.75 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.50 7.81 98 M 8.45 3.86 0.00 1.82 1.52 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.31 0.00 99 V 8.75 3.58 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 1.01 0.00 0.00 0.88 0.00 0.00 100 N 8.08 4.26 0.00 2.85 2.91 0.00 0.00 6.77 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.02 3.89 0.00 1.89 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 2.33 2.29 0.00 102 A 7.98 4.08 1.65 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 0.00 0.00 103 L 8.09 3.48 0.00 1.89 1.65 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.36 3.82 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 1.37 0.00 0.00 1.03 0.00 0.00 105 R 8.22 4.02 0.00 1.81 1.98 0.00 3.45 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 106 Q 7.86 4.19 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 1.87 2.19 0.00 107 G 8.15 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 0.00 0.00 0.00 108 L 7.64 4.20 0.00 1.42 1.53 0.40 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.17 4.54 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 0.00 110 K 8.42 4.68 0.00 1.68 1.88 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.26 1.11 7.81 111 V 8.85 4.34 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 0.75 0.00 0.00 1.03 0.00 0.00 112 A 8.36 4.42 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 0.00 113 Y 7.99 4.36 0.00 3.08 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 0.00 114 V 8.49 3.82 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 0.83 0.00 0.00 1.09 0.00 0.00 115 Y 8.52 4.61 0.00 3.07 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 0.00 116 K 9.09 3.54 0.00 1.55 1.56 0.00 1.67 0.00 0.00 1.41 0.00 0.00 2.50 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.52 7.81 117 G 8.06 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 0.00 0.00 0.00 118 N 8.12 4.87 0.00 2.93 2.86 0.00 0.00 6.68 8.68 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 0.00 119 N 8.14 5.16 0.00 3.11 3.04 0.00 0.00 6.10 7.22 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 0.00 120 T 8.39 3.84 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 1.06 0.00 0.00 121 H 8.32 4.81 0.00 3.00 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 4.00 0.00 2.21 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 2.37 2.44 0.00 123 Q 8.06 4.00 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 124 H 8.27 4.15 0.00 3.24 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.31 4.08 0.00 1.99 1.73 1.04 0.91 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 0.00 126 R 8.44 3.94 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 127 K 8.11 3.89 0.00 1.99 1.83 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.69 7.81 128 A 7.76 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 0.00 129 E 8.51 3.83 0.00 2.12 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 2.08 2.53 0.00 130 A 7.99 3.68 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 0.00 131 Q 8.14 3.79 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 132 A 8.02 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 3.18 0.00 0.79 1.45 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.07 0.90 7.81 134 K 7.97 3.87 0.00 1.73 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 8.07 4.23 0.00 2.15 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 2.31 2.38 0.00 136 K 7.96 4.48 0.00 1.96 1.94 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 137 L 7.96 4.46 0.00 1.95 1.60 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.60 3.79 0.00 2.52 1.42 0.00 0.00 7.35 7.55 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 0.00 139 I 5.42 3.50 1.23 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.52 0.00 0.00 140 W 7.94 4.85 0.00 3.53 3.14 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 0.00 141 S 8.22 4.79 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.