NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3183 8.3044 120.3578 55.6496 33.7120 175.5502 2 D 4.5998 7.8868 125.7019 52.7642 39.6712 174.3254 3 F 5.0939 9.0560 121.2051 57.0037 41.1825 174.8338 4 R 4.9065 9.2766 119.8505 54.6146 34.2860 174.2598 5 I 4.9624 8.4777 115.5473 59.3392 40.7715 174.5083 6 G 4.4274 9.0009 110.1138 44.5687 0.0000 171.3211 7 Q 5.1994 8.7691 118.6846 54.0964 31.7549 174.6967 8 G 4.4173 9.2815 108.0706 44.7843 0.0000 170.7739 9 Y 5.4218 8.5537 121.6345 55.8588 42.0151 173.6950 10 D 4.6339 8.6632 124.6223 52.8478 45.4291 174.0676 11 V 4.7039 7.7035 121.1352 60.6855 34.6264 173.6280 12 H 4.9805 8.8789 118.7242 53.9303 33.4678 172.9365 13 Q 4.6587 8.6880 120.1274 56.1473 30.0981 175.2299 14 L 4.9442 8.4845 123.7050 54.0514 42.4371 176.6264 15 V 4.6387 9.1221 117.2583 58.4791 35.9133 173.7640 16 P 4.3470 0.0000 0.0000 63.4950 31.9558 176.6352 17 G 3.8961 8.8581 110.0650 46.1492 0.0000 173.3429 18 R 4.7107 7.5163 117.5182 52.9676 33.2342 173.4263 19 P 4.5089 0.0000 0.0000 62.7270 32.7962 175.7115 20 L 4.3929 8.4970 123.9882 54.3212 43.1766 175.2719 21 I 5.0297 8.2611 127.8039 59.6224 40.2533 175.0087 22 I 4.6195 8.4778 128.1382 60.5546 40.3334 176.1242 23 G 4.0440 10.0102 113.1571 46.5605 0.0000 175.1113 24 G 3.9162 9.0398 107.5998 45.0080 0.0000 174.5856 25 V 3.9346 7.5823 120.9748 62.0872 32.2487 174.6557 26 T 4.6591 8.4193 124.3510 63.2090 69.1168 173.9435 27 I 4.3669 8.5097 128.3044 58.4487 39.2725 174.0304 28 P 4.3339 0.0000 0.0000 63.4731 31.5196 175.3060 29 Y 4.6149 8.2167 122.2308 56.7538 41.3272 174.2873 30 E 3.8522 8.0717 123.6810 58.3518 29.9214 176.6120 31 R 4.8756 6.7627 113.7924 54.2459 33.9055 174.7689 32 G 4.5360 8.8861 106.6546 43.6853 0.0000 171.5550 33 L 4.9074 8.4179 119.7483 54.1168 42.6343 176.4978 34 L 4.4644 8.5986 126.4259 54.0105 42.9439 175.8911 35 G 4.0479 8.3337 115.3874 45.8441 0.0000 173.6005 *36 H 4.3226 8.9427 116.4975 56.9026 28.7558 176.1575 37 S 4.7288 7.6587 116.8198 58.1655 62.8114 173.8590 38 D 4.5290 8.7957 121.2023 52.8089 39.3956 175.8687 39 A 3.4539 7.9080 120.4064 53.2110 16.1897 178.6939 40 D 4.7420 7.8748 121.2293 54.6177 40.0773 175.7348 41 V 3.9572 7.9910 128.0219 63.8515 31.3596 177.9148 42 L 3.8877 7.8340 120.3783 57.8536 41.9758 178.8368 43 L 4.0349 8.0068 118.5314 57.9887 41.4639 179.1536 44 H 4.2878 8.4532 116.2499 58.8685 28.5527 177.7426 45 A 4.0352 8.0497 122.5238 55.2051 18.1637 179.7723 46 I 3.6521 7.8551 118.3834 64.6811 37.1029 178.7618 47 T 3.7058 8.1648 116.7504 66.8127 68.2553 176.3699 48 D 4.5761 8.4168 120.5586 57.4366 40.8661 178.7828 49 A 4.0939 8.3533 121.5041 55.0783 18.4539 179.7731 50 L 3.9003 8.1265 117.7439 57.9438 41.6451 179.6736 51 F 4.5823 8.5226 118.3610 60.5200 38.7984 178.0256 52 G 3.5945 8.6597 105.7286 47.6585 0.0000 175.7512 53 A 4.1890 8.1669 123.4203 53.9728 18.4925 178.7212 54 A 3.0943 7.5921 115.7458 51.0241 19.3215 176.8297 55 A 3.6880 7.4830 119.2114 53.4374 16.6389 177.8601 56 L 4.6248 8.5190 117.0016 55.4751 43.1800 177.8412 57 G 3.9765 9.1487 108.8977 45.2688 0.0000 175.6530 58 D 4.8169 7.9755 125.6336 50.7004 43.3780 175.2354 59 I 3.8989 9.2621 119.7405 64.2701 37.6223 178.0088 60 G 3.5837 8.0925 105.3389 47.5934 0.0000 175.0409 61 R 4.0079 8.3040 120.2973 58.8100 30.1733 177.5738 62 H 4.0753 7.5082 114.6157 58.5966 29.4365 174.6140 63 F 5.1559 8.0706 119.2859 55.6430 41.6233 174.0779 *74 D 4.4181 8.3191 120.9874 54.2481 41.5922 176.3243 75 S 4.1581 8.8262 115.6883 61.3072 62.6651 177.3118 76 R 3.8909 8.0222 120.7180 58.9182 29.8432 178.4898 77 A 3.9823 8.7205 121.1419 55.1379 18.3338 179.7372 78 L 3.3977 7.5263 117.6696 57.4932 41.5105 179.4639 79 L 3.9394 8.0080 120.5339 58.2186 42.0639 179.2405 80 R 3.8891 8.3764 118.4932 59.1618 29.9014 178.7289 81 E 4.0132 8.3664 119.3257 59.2411 29.6335 178.1209 82 C 3.7960 8.6754 119.0461 62.5926 31.5381 175.3158 83 A 3.9329 8.0775 122.2366 55.2529 17.8906 179.4430 84 S 4.0591 8.1544 111.3147 61.8703 62.5090 176.7644 85 R 4.1796 8.4928 121.0134 59.1566 29.8760 179.3365 86 V 3.7287 8.3343 118.5342 65.9373 31.4601 178.0234 87 A 4.5390 8.1984 121.9874 54.6835 17.9973 179.2044 88 Q 3.9178 8.4855 117.5129 59.1394 29.1514 177.8573 89 A 4.4282 7.7006 118.8252 52.2814 19.0827 177.8561 90 G 3.7886 8.4216 107.0163 44.7477 0.0000 172.8265 91 F 5.0936 8.1192 117.4199 55.4775 41.7020 174.5655 92 A 4.9786 9.0491 123.9513 50.1842 21.7761 175.8089 93 I 4.1858 8.3435 122.3196 61.5506 37.5200 175.9395 94 R 4.5159 9.1875 127.2706 58.1312 31.1017 176.2601 95 N 5.1215 7.7106 113.6146 52.0599 40.9088 173.1330 96 V 4.9687 8.8041 118.9400 61.3161 35.1701 173.6363 97 D 5.4312 9.3615 126.1977 51.7832 44.9783 174.0041 98 S 5.1017 8.1920 115.7938 58.0863 66.6337 173.0624 99 T 4.9510 8.8731 116.1791 62.0561 72.9395 173.0878 100 I 4.7421 9.1710 126.6766 59.6967 39.9619 174.6726 101 I 4.9370 9.0515 127.7510 59.6638 39.2881 174.6713 102 A 4.7780 9.0712 129.5700 50.4604 21.9847 176.7749 103 Q 3.8556 9.0051 124.0148 58.6823 29.6025 175.9281 104 A 4.5696 7.3388 117.3847 50.0774 21.9897 173.7864 105 P 4.5750 0.0000 0.0000 61.7301 33.0514 176.5788 106 K 4.1366 8.4031 119.8311 54.8847 32.0316 173.4410 107 L 4.6438 8.3814 121.3829 54.1426 43.4558 178.3968 108 A 3.9672 8.3189 122.1889 54.8211 18.0880 177.4079 109 P 4.3993 0.0000 0.0000 64.5992 31.6641 176.8247 110 H 4.8442 8.3774 115.9263 55.4305 29.7777 175.7147 111 I 3.7041 7.4019 122.1816 64.6086 36.9486 177.8715 112 D 4.3232 8.0942 118.8919 57.1702 40.6538 178.4853 113 A 3.9735 7.9642 120.7282 55.4566 18.3700 179.1304 114 M 4.3563 7.9813 118.4263 58.0164 32.0331 178.9953 115 R 3.8326 8.1695 118.3167 59.3372 30.3263 178.2274 116 A 3.9710 8.3252 120.8751 55.3241 18.3930 179.2767 117 N 4.2580 8.5284 115.2479 56.6045 38.6043 177.8058 118 I 3.6891 8.0407 121.0360 64.3071 37.2539 178.2408 119 A 3.9666 8.2212 121.5687 55.1448 18.0188 179.6290 120 A 3.9132 7.9398 118.9269 55.5291 18.3053 179.6524 121 D 4.3536 8.0659 116.1021 56.7607 40.9342 178.0330 122 L 4.3933 7.8884 116.5717 53.0919 43.0396 175.6956 123 D 4.3642 7.6342 117.6461 55.6594 39.9269 172.8429 124 L 4.8967 8.2457 117.5968 51.9767 45.7767 175.6709 125 P 4.5326 0.0000 0.0000 62.2496 32.2065 177.3800 126 L 4.0167 8.5286 119.5820 57.9306 41.6202 178.8435 127 D 4.5974 8.0488 115.5045 54.7143 39.8493 176.5768 128 R 4.6197 8.0743 118.7504 55.9000 31.7044 175.2525 129 V 4.7980 7.6756 119.3801 61.0894 33.7076 174.3621 130 N 5.1347 9.2045 125.3537 51.9220 42.8193 173.0130 131 V 4.7743 8.2427 123.2383 60.0213 34.7398 174.4602 132 K 4.8317 8.8686 125.4804 54.4907 35.9696 174.9267 133 A 5.2668 8.5514 123.9445 50.3542 21.9841 175.5825 134 K 4.7282 8.9056 119.0002 55.2398 37.2450 176.1882 135 T 4.8161 8.3319 113.2060 59.6356 71.3975 173.6680 136 N 4.7864 8.7601 117.0233 53.0780 39.1047 174.1693 137 E 3.8006 8.5891 112.9609 57.0254 27.6689 175.5087 138 K 4.0541 8.3603 111.8467 57.1882 30.2082 175.5061 139 L 4.4166 7.9235 119.7498 54.0158 43.3147 178.5285 140 G 4.0348 8.4972 112.4416 44.8888 0.0000 173.0493 141 Y 4.4627 8.2480 117.0794 59.7207 37.4598 178.5088 142 L 4.1319 7.1006 120.1835 57.5661 41.5651 179.5946 143 G 3.6441 7.8194 104.5201 47.2782 0.0000 175.0862 144 R 4.3755 7.9647 117.7673 55.3630 30.5488 176.3531 145 G 3.9507 7.8625 106.8362 46.9497 0.0000 174.8372 146 E 4.3970 8.7915 120.6777 57.0360 30.4927 176.0647 147 G 4.2938 7.7123 103.6324 45.3671 0.0000 172.0331 148 I 4.9633 8.7368 119.3489 59.4024 41.2863 174.7091 149 E 5.0917 8.9871 126.4729 54.3884 32.7207 174.3704 150 A 5.2398 8.8399 125.8933 50.3056 22.8179 175.0415 151 Q 5.2789 9.1424 119.4332 54.2829 32.8157 174.6124 152 A 5.2245 9.0180 121.9822 50.5437 23.3535 174.9738 153 A 5.2215 9.2802 121.2614 50.0694 22.7324 175.1319 154 A 5.0711 9.0935 123.0126 49.9660 22.8318 174.5227 155 L 5.0700 8.7281 123.8844 53.4955 44.4036 175.7763 156 V 5.1939 8.8623 118.5906 59.5456 36.4600 174.7014 157 V 4.8072 8.8310 120.6412 60.0490 34.8555 175.6688 158 R 4.4192 8.5640 122.3805 55.8085 29.4939 175.8665 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 1 M 8.30 4.32 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 2 D 7.89 4.60 0.00 2.90 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 3 F 9.06 5.09 0.00 3.00 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 4 R 9.28 4.91 0.00 1.58 1.72 0.00 3.30 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 5 I 8.48 4.96 1.88 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 0.93 0.92 0.00 0.00 6 G 9.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.77 5.20 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 8 G 9.28 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 9 Y 8.55 5.42 0.00 2.93 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 10 D 8.66 4.63 0.00 2.72 2.44 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 0.00 11 V 7.70 4.70 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 0.71 0.00 0.00 1.05 0.00 0.00 12 H 8.88 4.98 0.00 3.06 3.15 0.00 5.62 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 13 Q 8.69 4.66 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 14 L 8.48 4.94 0.00 1.60 1.73 1.06 0.78 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 15 V 9.12 4.64 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 0.78 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.35 0.00 1.93 1.97 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 17 G 8.86 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 0.00 0.00 0.00 18 R 7.52 4.71 0.00 1.72 1.79 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 19 P 0.00 4.51 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.50 4.39 0.00 2.10 1.84 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.26 5.03 1.83 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 1.32 0.62 0.87 0.00 0.00 22 I 8.48 4.62 1.81 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 1.17 0.66 0.87 0.00 0.00 23 G 10.01 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 0.00 0.00 0.00 0.00 24 G 9.04 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 25 V 7.58 3.93 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 1.03 0.00 0.00 1.04 0.00 0.00 26 T 8.42 4.66 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 27 I 8.51 4.37 1.76 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 0.78 0.56 0.75 0.00 0.00 28 P 0.00 4.33 0.00 1.99 2.05 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 29 Y 8.22 4.61 0.00 2.91 2.90 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 30 E 8.07 3.85 0.00 1.93 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 1.63 1.99 0.00 31 R 6.76 4.88 0.00 1.89 2.02 0.00 3.14 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 32 G 8.89 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 0.00 0.00 0.00 0.00 33 L 8.42 4.91 0.00 1.49 1.57 0.90 1.01 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 34 L 8.60 4.46 0.00 1.63 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.33 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 *36 H 8.94 4.32 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.66 4.73 0.00 3.83 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 38 D 8.80 4.53 0.00 2.79 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 39 A 7.91 3.45 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 40 D 7.87 4.74 0.00 2.58 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 V 7.99 3.96 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 0.98 0.00 0.00 42 L 7.83 3.89 0.00 1.74 1.82 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.01 4.03 0.00 1.84 1.69 0.92 0.86 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 44 H 8.45 4.29 0.00 3.48 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.05 4.04 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 46 I 7.86 3.65 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 1.52 0.66 0.88 0.00 0.00 47 T 8.16 3.71 4.51 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 1.30 0.00 0.00 48 D 8.42 4.58 0.00 3.01 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 49 A 8.35 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.90 0.00 1.61 1.53 0.83 1.10 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 51 F 8.52 4.58 0.00 3.22 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 52 G 8.66 3.59 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 0.00 0.00 0.00 53 A 8.17 4.19 1.25 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 54 A 7.59 3.09 1.19 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 0.00 0.00 55 A 7.48 3.69 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 56 L 8.52 4.62 0.00 1.78 1.72 1.18 0.95 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 57 G 9.15 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 58 D 7.98 4.82 0.00 3.09 2.75 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 59 I 9.26 3.90 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.10 1.00 0.00 0.00 60 G 8.09 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 61 R 8.30 4.01 0.00 1.69 2.07 0.00 3.10 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 62 H 7.51 4.08 0.00 2.19 1.88 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.07 5.16 0.00 3.13 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 *74 D 8.32 4.42 0.00 3.09 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 75 S 8.83 4.16 0.00 3.95 3.93 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 0.00 0.00 0.00 0.00 76 R 8.02 3.89 0.00 1.95 2.05 0.00 3.11 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.72 3.98 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 L 7.53 3.40 0.00 1.63 1.18 0.69 -0.36 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 79 L 8.01 3.94 0.00 1.82 1.80 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.38 3.89 0.00 2.00 1.96 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 81 E 8.37 4.01 0.00 2.23 2.26 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 2.67 2.82 0.00 82 C 8.68 3.80 0.00 2.71 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 83 A 8.08 3.93 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 84 S 8.15 4.06 0.00 3.96 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 0.00 85 R 8.49 4.18 0.00 2.22 2.18 0.00 3.45 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 86 V 8.33 3.73 2.27 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 1.08 0.00 0.00 0.91 0.00 0.00 87 A 8.20 4.54 1.39 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 0.00 0.00 88 Q 8.49 3.92 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 89 A 7.70 4.43 1.60 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 90 G 8.42 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 91 F 8.12 5.09 0.00 3.17 2.93 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 0.00 0.00 0.00 0.00 92 A 9.05 4.98 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 93 I 8.34 4.19 1.89 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 1.35 0.60 0.92 0.00 0.00 94 R 9.19 4.52 0.00 1.94 2.09 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 95 N 7.71 5.12 0.00 2.86 2.89 0.00 0.00 5.55 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 96 V 8.80 4.97 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.36 5.43 0.00 2.77 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 5.10 0.00 3.99 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 99 T 8.87 4.95 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 0.00 100 I 9.17 4.74 1.85 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 1.20 0.73 0.92 0.00 0.00 101 I 9.05 4.94 1.87 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 1.16 0.73 0.92 0.00 0.00 102 A 9.07 4.78 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 0.00 103 Q 9.01 3.86 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 104 A 7.34 4.57 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 0.00 105 P 0.00 4.57 0.00 2.16 2.08 0.00 3.28 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 106 K 8.40 4.14 0.00 1.80 1.65 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.38 4.64 0.00 1.66 1.70 0.87 0.91 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 0.00 108 A 8.32 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 1.93 2.09 0.00 3.65 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 1.79 1.92 0.00 110 H 8.38 4.84 0.00 3.18 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.40 3.70 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 1.52 0.78 0.94 0.00 0.00 112 D 8.09 4.32 0.00 2.67 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 0.00 113 A 7.96 3.97 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 0.00 114 M 7.98 4.36 0.00 2.07 2.29 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 2.90 2.58 0.00 115 R 8.17 3.83 0.00 1.99 2.13 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 1.75 0.00 116 A 8.33 3.97 1.39 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 0.00 0.00 117 N 8.53 4.26 0.00 2.97 2.87 0.00 0.00 7.09 7.19 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 0.00 118 I 8.04 3.69 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 1.44 0.63 0.90 0.00 0.00 119 A 8.22 3.97 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 0.00 120 A 7.94 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.35 0.00 2.78 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 0.00 122 L 7.89 4.39 0.00 1.60 1.68 0.90 0.87 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 0.00 123 D 7.63 4.36 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 124 L 8.25 4.90 0.00 1.57 1.51 0.92 1.08 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 0.00 125 P 0.00 4.53 0.00 2.46 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 126 L 8.53 4.02 0.00 1.73 1.77 0.92 0.94 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 0.00 127 D 8.05 4.60 0.00 2.79 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 0.00 128 R 8.07 4.62 0.00 1.92 2.09 0.00 3.08 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.68 4.80 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 0.93 0.00 0.00 130 N 9.20 5.13 0.00 2.83 2.76 0.00 0.00 6.21 7.28 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 0.00 131 V 8.24 4.77 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 1.12 0.00 0.00 0.92 0.00 0.00 132 K 8.87 4.83 0.00 1.80 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.55 5.27 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 0.00 134 K 8.91 4.73 0.00 1.74 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.52 7.81 135 T 8.33 4.82 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 1.20 0.00 0.00 136 N 8.76 4.79 0.00 2.76 2.70 0.00 0.00 7.82 7.73 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 0.00 137 E 8.59 3.80 0.00 2.03 1.95 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 2.25 2.39 0.00 138 K 8.36 4.05 0.00 1.90 1.90 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 139 L 7.92 4.42 0.00 1.77 1.51 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.50 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.25 4.46 0.00 3.30 3.31 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 0.00 142 L 7.10 4.13 0.00 1.51 1.68 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.82 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 0.00 144 R 7.96 4.38 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 145 G 7.86 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 0.00 146 E 8.79 4.40 0.00 2.29 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 2.32 2.31 0.00 147 G 7.71 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 0.00 0.00 0.00 0.00 148 I 8.74 4.96 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.11 0.92 0.00 0.00 149 E 8.99 5.09 0.00 2.10 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 2.21 2.25 0.00 150 A 8.84 5.24 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 0.00 151 Q 9.14 5.28 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 152 A 9.02 5.22 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 0.00 153 A 9.28 5.22 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 0.00 154 A 9.09 5.07 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 0.00 155 L 8.73 5.07 0.00 1.80 1.71 1.04 0.57 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 0.00 156 V 8.86 5.19 2.25 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 0.67 0.00 0.00 0.75 0.00 0.00 157 V 8.83 4.81 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 0.75 0.00 0.00 0.33 0.00 0.00 158 R 8.56 4.42 0.00 1.49 1.82 0.00 2.29 0.00 0.00 2.89 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.00 * Residues marked with a * may have inaccurate shift predictions.