NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.3412 8.1849 120.6284 54.4193 42.3796 175.1258 11 L 4.5747 7.5629 119.4499 52.1235 44.8891 173.6780 12 E 4.3596 9.7409 123.8386 55.2312 31.5617 176.0039 13 I 3.8893 7.9303 120.4378 62.6608 37.5185 176.5356 14 N 4.1866 8.7289 118.5931 53.6948 36.4597 173.3776 15 E 4.6743 7.7115 119.7219 54.5278 31.3521 175.1139 16 T 4.8075 9.2966 116.4357 59.4877 72.7378 172.9601 17 L 4.2668 8.5172 124.2621 55.5871 42.6049 175.0842 18 V 4.3926 8.0315 120.7806 63.4677 33.1074 175.2636 19 I 4.5637 7.2590 111.9511 59.7054 40.8446 172.0983 20 Q 4.8833 8.7635 125.4438 54.5411 31.0420 174.2876 21 Q 4.7743 9.1141 126.3256 54.7480 33.1042 174.8389 22 R 4.5854 8.7153 124.0322 55.4353 32.9113 175.9774 23 G 3.9733 8.4934 104.4887 47.0599 0.0000 173.3293 24 V 4.7880 7.4248 118.1951 61.0420 33.4870 174.9253 25 R 5.7020 8.0887 123.1387 53.3415 34.2243 174.7514 26 V 4.4589 7.8321 121.0238 61.4824 33.9601 173.8129 27 Y 4.2546 8.9036 126.3650 58.3281 39.9226 175.7796 28 D 4.3175 9.1786 122.9622 56.0898 41.4900 178.7205 29 G 3.6779 9.1135 114.5797 46.5612 0.0000 176.4086 30 E 4.7013 9.2058 118.1885 54.2887 31.9510 174.9811 31 E 4.7960 8.4270 121.3850 54.5468 33.1119 176.0357 32 K 4.0968 8.7393 121.0447 57.9625 32.2196 176.2191 *35 F 4.6274 7.4630 113.6232 56.8947 39.3663 173.5816 36 D 4.5432 8.0651 116.2513 52.8834 44.6449 175.1869 37 A 5.3782 8.6355 124.9373 49.3175 20.6394 178.2589 38 G 3.6439 7.7536 106.2272 45.9564 0.0000 172.9996 39 T 4.8474 7.2181 119.6410 60.1598 70.6681 173.2650 40 L 4.8070 8.6107 131.7150 54.8722 43.8243 175.1788 41 L 5.0981 9.3081 128.2654 53.3339 44.4488 175.2211 42 L 4.9418 8.7040 129.3559 54.7976 42.7457 175.2716 43 S 4.7507 8.5372 116.9949 57.0826 66.5752 174.9251 44 T 4.1611 8.8177 109.8929 64.3615 68.5064 174.8235 45 H 4.8765 7.8552 116.4660 55.5351 31.8586 174.0448 46 R 4.6818 8.6948 116.1233 54.2889 34.0065 174.9785 47 L 4.5997 8.2848 123.3177 53.4864 41.8666 174.8588 48 I 4.2720 8.5819 124.5118 60.0776 39.0263 174.9578 49 W 5.4465 8.7302 134.8791 55.9694 33.8520 173.3833 50 R 4.5241 7.7809 124.9282 54.2394 30.8514 176.2453 51 D 4.3551 8.0495 123.4655 52.8723 42.3691 175.9098 52 Q 3.9186 8.3097 119.6403 58.6781 28.4947 176.6595 53 K 4.2353 7.8351 120.1784 54.2575 31.1412 176.4391 54 N 4.2150 8.6158 122.7730 55.6652 37.3333 177.2447 55 N 4.2632 8.2918 115.6315 55.7784 38.5644 175.4130 56 E 4.6836 7.5051 113.6552 55.5209 30.1116 175.6711 57 C 3.8699 8.0893 119.3730 61.8617 31.9934 170.6847 58 C 3.8675 8.3133 126.4721 59.9896 25.6416 173.0067 59 M 4.1706 9.4059 125.2491 54.7633 31.2409 178.7383 60 A 4.1474 9.2169 127.2428 53.9445 20.1531 179.3597 61 I 4.8379 7.6479 109.7114 59.9717 39.3541 173.3445 62 P 4.2990 0.0000 0.0000 63.6384 30.5894 178.9706 63 L 3.6480 9.2675 117.2765 53.9906 39.1403 174.3183 64 S 5.9813 7.2969 126.7662 59.0722 61.3986 178.2950 65 Q 4.3379 7.6567 119.3511 56.4589 30.2870 174.7810 66 I 3.8901 7.8016 110.1596 60.5677 37.2480 175.6539 67 V 3.8759 8.7614 126.6683 65.6066 31.9789 176.0655 68 F 5.3515 8.1011 121.0246 56.9032 42.7126 172.6448 69 I 4.9407 7.5114 117.7086 59.4724 40.7973 173.9342 70 E 4.7748 8.3065 119.4317 56.2107 32.9970 173.2340 71 E 4.9259 8.6292 118.0531 55.2976 31.7829 175.6128 72 Q 4.2949 8.5252 122.1284 57.2261 30.4120 176.3003 73 A 4.4456 7.5237 114.8888 52.5229 24.9201 175.9675 *81 K 4.3421 7.7594 114.8842 56.8260 34.6017 174.5142 82 I 4.8574 8.6470 122.4103 59.6456 40.1641 174.5842 83 V 4.4579 8.6679 129.6720 61.7264 33.9204 174.9159 84 V 4.3375 8.5500 125.5482 61.8035 34.6068 174.1660 85 H 4.9615 9.0354 127.1924 54.4954 27.5371 176.1990 86 L 4.0649 8.4403 123.5616 57.1484 43.7273 178.7165 87 H 4.1955 8.0906 118.5266 57.1904 27.8289 175.8702 *101 S 4.5005 9.1608 112.2267 57.2253 65.4619 174.6857 102 K 4.6727 7.6218 117.9913 53.7026 35.0964 175.3683 103 N 4.4329 8.3406 118.4889 52.9823 37.9260 175.6141 104 S 4.3840 8.4002 116.5521 60.7156 63.5519 173.1441 105 Y 5.1368 6.7875 115.8953 55.4524 40.9561 173.3861 106 I 5.3013 8.7049 111.4172 58.4628 41.4466 174.4660 107 R 5.1176 9.2275 119.1651 54.4953 33.3164 173.8010 108 L 5.6073 9.1315 120.7977 52.4346 44.7015 175.5312 109 S 4.8756 8.5395 119.5152 57.1413 65.4268 173.3856 110 F 4.5595 8.6709 123.2194 55.7193 38.3388 175.4496 111 K 4.1001 8.8391 123.8932 59.2270 32.5141 176.4571 112 E 4.1217 8.2471 121.0192 55.3300 29.9511 175.5415 113 H 3.9963 8.3921 121.1214 55.9624 28.0073 174.5826 114 G 4.9125 8.2055 118.5864 45.4999 0.0000 171.9692 115 Q 3.5010 7.1936 121.3058 55.7430 29.8522 176.6873 116 I 3.4646 8.1571 114.4606 61.7875 36.6852 174.2522 117 E 4.4242 7.6333 119.5486 57.5970 30.2793 177.7057 118 F 3.8958 7.4536 117.6010 60.8654 39.5901 176.8523 119 Y 4.1770 8.0514 118.7413 60.6841 38.6217 178.1900 120 R 3.8514 8.0072 118.3957 59.5318 30.2584 179.1796 121 R 3.9449 7.6222 117.1602 58.4191 29.9540 178.7164 122 L 3.9513 8.2274 121.0827 57.5241 42.1195 178.7473 123 S 3.8522 7.7409 113.1639 61.2960 62.1897 175.5968 124 E 3.8913 7.7285 119.8753 59.6578 29.7337 178.9992 125 E 4.0306 7.8126 118.9226 59.4547 29.6383 178.3414 126 M 4.1297 8.0000 118.5686 58.8739 32.0256 178.3053 127 T 3.9651 7.8420 109.1666 64.2747 68.9316 174.9537 128 Q 4.4295 7.3492 117.7158 55.8179 29.2534 176.9503 129 R 4.5304 7.3895 117.3376 55.2801 29.3456 176.6043 130 R 4.2262 7.5630 119.9660 56.2880 30.5036 176.6430 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 10 L 8.18 4.34 0.00 1.65 1.72 0.91 0.61 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 11 L 7.56 4.57 0.00 1.65 1.53 0.93 0.73 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 12 E 9.74 4.36 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 2.47 2.42 0.00 13 I 7.93 3.89 1.86 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 0.46 0.90 0.00 0.00 14 N 8.73 4.19 0.00 2.83 2.93 0.00 0.00 6.76 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 15 E 7.71 4.67 0.00 1.75 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 2.22 2.21 0.00 16 T 9.30 4.81 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 17 L 8.52 4.27 0.00 1.69 1.61 0.94 0.89 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 18 V 8.03 4.39 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 0.72 0.00 0.00 0.90 0.00 0.00 19 I 7.26 4.56 1.88 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.83 0.00 0.00 20 Q 8.76 4.88 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 21 Q 9.11 4.77 0.00 2.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.31 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 22 R 8.72 4.59 0.00 1.87 1.90 0.00 3.43 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 23 G 8.49 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 24 V 7.42 4.79 2.36 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 0.81 0.00 0.00 0.60 0.00 0.00 25 R 8.09 5.70 0.00 1.69 1.36 0.00 3.32 0.00 0.00 2.62 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.48 0.00 26 V 7.83 4.46 1.62 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 0.68 0.00 0.00 -0.37 0.00 0.00 27 Y 8.90 4.25 0.00 2.88 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 28 D 9.18 4.32 0.00 2.69 2.37 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 29 G 9.11 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 30 E 9.21 4.70 0.00 1.93 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 2.22 2.23 0.00 31 E 8.43 4.80 0.00 2.26 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 2.29 2.34 0.00 32 K 8.74 4.10 0.00 1.80 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 *35 F 7.46 4.63 0.00 2.38 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 0.00 0.00 0.00 0.00 36 D 8.07 4.54 0.00 2.56 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 37 A 8.64 5.38 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 38 G 7.75 3.64 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 0.00 0.00 0.00 39 T 7.22 4.85 4.21 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 1.05 0.00 0.00 40 L 8.61 4.81 0.00 2.09 1.56 1.17 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.31 5.10 0.00 1.84 1.58 1.04 0.42 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 42 L 8.70 4.94 0.00 1.84 1.28 0.96 0.40 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 43 S 8.54 4.75 0.00 4.11 3.96 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 0.00 0.00 0.00 44 T 8.82 4.16 4.36 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 1.26 0.00 0.00 45 H 7.86 4.88 0.00 3.07 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.69 4.68 0.00 1.88 1.84 0.00 3.11 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 47 L 8.28 4.60 0.00 1.83 1.61 1.11 0.99 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 48 I 8.58 4.27 2.11 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 1.15 1.25 0.96 0.00 0.00 49 W 8.73 5.45 0.00 3.34 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 50 R 7.78 4.52 0.00 1.67 1.86 0.00 2.74 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 51 D 8.05 4.36 0.00 2.42 2.46 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 52 Q 8.31 3.92 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 53 K 7.84 4.24 0.00 1.94 1.77 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 54 N 8.62 4.21 0.00 2.89 3.05 0.00 0.00 6.11 6.96 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 55 N 8.29 4.26 0.00 2.70 2.94 0.00 0.00 6.68 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 56 E 7.51 4.68 0.00 2.01 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 2.17 2.22 0.00 57 C 8.09 3.87 0.00 2.83 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 58 C 8.31 3.87 0.00 3.14 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 59 M 9.41 4.17 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 60 A 9.22 4.15 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 0.00 0.00 0.00 61 I 7.65 4.84 1.92 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 1.47 1.08 0.97 0.00 0.00 62 P 0.00 4.30 0.00 2.10 1.90 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 63 L 9.27 3.65 0.00 1.81 1.77 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.30 5.98 0.00 4.10 4.10 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 65 Q 7.66 4.34 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 66 I 7.80 3.89 1.92 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 1.32 1.24 0.95 0.00 0.00 67 V 8.76 3.88 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 0.78 0.00 0.00 1.03 0.00 0.00 68 F 8.10 5.35 0.00 3.06 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 69 I 7.51 4.94 1.87 0.00 0.00 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 1.10 0.89 0.87 0.00 0.00 70 E 8.31 4.77 0.00 2.00 1.75 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 1.98 2.14 0.00 71 E 8.63 4.93 0.00 1.66 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 1.47 1.71 0.00 72 Q 8.53 4.29 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 73 A 7.52 4.45 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 *81 K 7.76 4.34 0.00 2.02 2.00 0.00 1.32 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 82 I 8.65 4.86 2.15 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 1.57 1.98 1.28 0.00 0.00 83 V 8.67 4.46 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 0.34 0.00 0.00 0.78 0.00 0.00 84 V 8.55 4.34 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 0.98 0.00 0.00 0.95 0.00 0.00 85 H 9.04 4.96 0.00 3.36 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.74 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 4.06 0.00 1.81 1.76 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.09 4.20 0.00 3.21 3.03 0.00 5.78 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 S 9.16 4.50 0.00 4.03 4.02 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 0.00 102 K 7.62 4.67 0.00 1.69 1.68 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.35 7.81 103 N 8.34 4.43 0.00 2.47 2.63 0.00 0.00 6.11 7.64 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 0.00 104 S 8.40 4.38 0.00 4.23 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 0.00 105 Y 6.79 5.14 0.00 3.00 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 0.00 106 I 8.70 5.30 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.53 0.88 0.00 0.00 107 R 9.23 5.12 0.00 1.83 2.15 0.00 2.36 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 9.13 5.61 0.00 1.33 1.12 0.76 0.34 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 0.00 109 S 8.54 4.88 0.00 3.87 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 0.00 110 F 8.67 4.56 0.00 2.90 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 0.00 111 K 8.84 4.10 0.00 1.83 1.98 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 112 E 8.25 4.12 0.00 1.99 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 2.25 2.18 0.00 113 H 8.39 4.00 0.00 3.29 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.21 4.91 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 0.00 115 Q 7.19 3.50 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 116 I 8.16 3.46 1.87 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 1.37 0.41 0.80 0.00 0.00 117 E 7.63 4.42 0.00 2.06 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 2.24 2.28 0.00 118 F 7.45 3.90 0.00 3.14 2.79 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 0.00 119 Y 8.05 4.18 0.00 3.27 2.96 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 0.00 0.00 0.00 120 R 8.01 3.85 0.00 1.91 1.95 0.00 3.22 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 121 R 7.62 3.94 0.00 1.49 1.78 0.00 3.20 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 122 L 8.23 3.95 0.00 2.00 1.61 1.14 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.74 3.85 0.00 3.50 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 0.00 124 E 7.73 3.89 0.00 1.93 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 2.49 0.00 125 E 7.81 4.03 0.00 2.19 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 2.41 2.32 0.00 126 M 8.00 4.13 0.00 2.28 2.02 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 2.62 2.71 0.00 127 T 7.84 3.97 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 1.26 0.00 0.00 128 Q 7.35 4.43 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.35 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 129 R 7.39 4.53 0.00 1.82 1.86 0.00 3.22 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 130 R 7.56 4.23 0.00 1.76 1.79 0.00 3.41 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.