NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9781 8.2127 109.7475 45.2365 0.0000 173.8867 3 F 4.0870 8.2292 125.0674 61.3657 39.6445 174.5455 4 L 3.8074 8.7714 118.3538 57.8484 41.9309 178.2017 5 D 4.4440 8.0825 117.2950 57.2293 40.7958 178.3580 6 A 4.5687 7.3323 121.3240 53.7139 18.7183 177.9467 7 L 3.5196 7.1689 122.6336 54.9370 40.8373 177.7260 *9 G 3.4738 8.4581 115.0800 46.8384 0.0000 170.8691 10 N 4.7164 8.7813 127.0595 52.3000 36.2583 171.9108 11 A 3.8700 7.6472 120.3809 51.9781 18.7034 176.8513 12 S 4.2387 8.4376 117.9901 57.9234 63.1710 173.9256 13 E 4.0961 8.7010 127.2336 58.3375 29.8554 176.9189 14 V 4.0334 7.2128 118.0708 61.2297 32.4733 175.2664 15 D 4.5367 8.4799 126.3037 53.8378 40.2548 175.5744 16 L 4.1383 8.5117 128.1128 57.6678 42.2079 180.2993 17 G 3.6757 8.0806 103.0954 46.6301 0.0000 174.4178 *19 L 4.1590 8.0175 123.2571 54.7037 44.1504 178.6280 20 A 3.9594 8.4534 121.5118 55.2271 18.5479 179.4099 21 A 4.0400 7.8894 117.5818 55.4167 18.6392 178.8801 22 E 4.1336 8.1587 114.0666 59.3166 29.8924 178.1604 23 L 4.2093 8.1981 117.6469 55.8217 42.6509 178.6308 24 S 4.0604 7.9889 114.0294 61.0431 62.2435 174.7844 25 P 4.3108 0.0000 0.0000 64.5259 31.1627 176.8678 26 I 4.2486 7.6765 109.7994 60.2668 37.8568 175.2660 27 L 4.6471 7.4126 120.7935 53.1717 43.1751 176.8870 28 G 3.7921 8.8746 111.2190 45.4199 0.0000 174.7640 29 D 4.3232 8.6588 121.2532 56.5035 41.0175 177.0907 30 N 4.8495 8.0560 114.8269 52.1553 37.6157 173.8237 31 E 4.7159 8.1699 119.0821 54.7312 32.2114 174.7930 32 E 4.8159 8.8401 124.5907 54.1053 33.2001 175.0905 33 L 4.3469 8.6616 126.0883 55.6830 42.3712 175.6962 34 Q 4.6801 9.2331 124.1154 57.2425 31.3292 175.7961 35 L 4.8408 7.8964 115.8738 53.6731 46.5337 174.7193 36 A 5.2252 8.1011 121.1913 51.4431 22.3907 175.2289 37 Y 4.8537 8.9802 118.5995 55.6488 42.4057 176.1103 *40 V 4.3227 8.5450 123.2098 64.3860 32.1704 179.2069 41 R 4.2334 8.9742 116.3270 56.9775 29.5729 176.2084 42 D 5.0238 7.7092 116.5122 54.0367 43.6142 175.1228 43 L 5.1808 8.6196 118.6905 53.2684 46.1448 176.1807 44 F 4.6583 9.6585 122.5806 56.1296 40.7149 174.7544 45 V 4.5150 8.6425 125.6360 61.1667 33.4432 174.3649 46 F 5.2016 9.3382 127.7843 56.3898 40.7026 175.7820 47 T 4.9520 8.1986 115.2976 59.3536 71.3153 175.4964 48 S 4.5223 8.7196 112.8691 59.5696 62.5332 173.9275 *50 R 3.1288 7.6710 117.0697 55.9534 31.2319 173.6302 51 L 4.5429 8.0127 122.2899 54.0484 43.8804 175.2174 52 I 4.7950 8.6646 127.1839 59.5467 39.9647 174.4766 53 L 4.4996 8.8792 128.7292 53.5261 43.2473 175.9406 54 I 4.5635 8.4851 125.6437 59.9742 39.3911 173.8824 55 D 5.6866 8.0397 130.1502 51.7838 44.3546 175.4190 *57 Q 4.1336 8.6004 117.2203 57.5151 30.2536 175.6805 58 G 3.9666 8.3941 103.4305 45.4016 0.0000 175.0035 59 V 3.6199 8.3373 112.4303 64.6033 31.4963 178.2793 60 T 3.9484 7.8928 107.3592 61.7064 69.2818 170.7480 61 G 3.7190 7.5125 119.7319 43.7261 0.0000 173.1481 *64 V 4.0621 8.1984 123.9924 62.6789 32.7134 174.3978 65 S 4.7769 8.7141 122.4088 56.7855 65.6766 172.7605 66 Y 4.8330 8.8096 121.1533 56.7938 39.0821 174.1970 67 H 4.7691 9.3615 126.0598 54.5856 31.6583 173.3768 68 S 5.0999 8.6897 122.4358 57.1534 64.4931 173.8149 69 I 4.3958 8.7027 125.8173 58.5673 39.6073 173.3779 70 P 4.3023 0.0000 0.0000 61.9339 32.1066 178.3917 71 Y 4.4707 8.2162 124.6549 57.8215 37.3961 177.7894 *73 A 4.3082 8.0475 121.7998 51.5632 20.6327 177.0183 74 I 4.6023 7.6732 117.6768 60.6692 37.2908 176.0063 75 V 4.0136 9.2457 126.9123 65.3088 31.9770 175.2217 76 H 5.1984 8.0333 112.8885 55.1422 31.6444 171.9229 77 F 5.6489 8.2839 112.4983 56.3780 40.6315 173.1580 78 Q 4.7807 8.9462 119.6813 54.8944 32.8074 173.0238 79 V 4.8658 8.5541 124.5547 61.1081 34.0724 173.9087 80 E 4.7144 9.1860 129.4950 54.7947 31.3898 174.4334 81 T 4.9217 8.4586 120.1425 60.5210 71.0656 172.9106 82 A 4.6100 8.7505 128.4243 51.3641 20.4701 177.6970 83 G 3.8969 7.8574 108.5936 48.3835 0.0000 175.3176 84 T 4.4129 8.6038 115.2623 61.0857 68.8115 174.7310 85 F 4.1075 7.8858 120.5789 57.5145 39.3283 175.1271 86 D 4.3179 8.7744 121.0232 56.9045 41.0538 175.6211 *88 D 4.5547 7.7204 116.3917 55.0332 42.4457 174.4581 89 A 4.8190 8.4892 122.1631 50.7308 22.1838 175.4812 90 E 4.8083 9.1039 119.1631 54.9252 33.4784 174.7821 91 L 5.4176 8.1739 128.2976 52.8560 45.8621 173.8535 *93 L 4.4545 8.2058 117.2244 54.7044 43.3177 176.0478 94 W 5.0311 9.2176 124.3287 55.2612 31.4072 175.4194 95 I 5.0827 8.3008 124.1254 59.0268 40.1482 175.0772 96 S 4.2127 9.0583 121.2951 60.1341 62.4748 174.2161 97 G 3.9433 8.9125 114.7779 46.6653 0.0000 172.6169 98 Q 4.5672 7.8451 117.2849 54.1099 31.9369 174.9706 99 H 4.8391 8.7150 113.8370 56.9790 30.9005 174.7559 100 E 4.7171 7.9938 117.2676 53.8774 30.9830 174.0526 101 P 4.2363 0.0000 0.0000 62.2271 32.4613 175.3528 102 L 4.1314 8.3785 124.1201 54.8713 42.5482 176.1531 103 V 4.8903 8.0060 124.9133 60.0438 34.8246 173.7242 *105 E 4.1712 8.4654 122.3456 56.0944 30.5462 174.4543 106 L 4.7796 8.6608 125.5571 52.8295 45.8607 175.2163 *108 R 4.2231 8.3775 117.6938 57.7184 30.3898 175.8986 109 G 4.0929 9.2634 111.1306 45.9878 0.0000 174.4011 110 T 3.9928 7.5205 115.1682 63.7998 69.2497 174.9877 111 D 4.6435 8.3783 124.4903 53.7748 39.2132 177.1660 112 V 3.5122 7.7179 117.9833 63.4218 31.7872 177.8984 113 V 3.6198 7.6572 117.2359 65.8765 31.5921 177.7443 114 G 3.7183 8.2520 104.4190 47.8245 0.0000 175.3601 115 I 3.3330 6.9739 121.9152 63.8516 37.0061 179.3292 116 Q 4.1508 7.7259 115.3727 57.0207 28.3960 178.4575 *118 T 4.0139 7.8526 118.9554 63.6835 70.7060 176.3129 119 I 3.6761 7.8428 122.0372 64.3958 36.5513 178.3080 120 A 4.1434 7.7789 121.4225 55.0591 17.9714 179.5244 121 R 3.6360 7.7136 115.7358 59.7336 30.1998 177.6356 122 Y 4.1074 7.4061 113.8995 59.2198 38.2303 176.7495 123 A 4.6161 8.1978 119.5298 52.1356 19.5564 177.2013 124 L 4.5571 7.5806 115.1693 54.4382 44.2802 176.9780 *125 G 3.7274 8.0763 111.4367 45.6799 0.0000 172.4723 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 2 G 8.21 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 3 F 8.23 4.09 0.00 3.17 3.11 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 0.00 0.00 0.00 4 L 8.77 3.81 0.00 1.68 1.70 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.08 4.44 0.00 2.85 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 6 A 7.33 4.57 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 7 L 7.17 3.52 0.00 1.48 1.49 0.49 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 *9 G 8.46 3.47 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 0.00 10 N 8.78 4.72 0.00 2.94 2.89 0.00 0.00 6.84 7.46 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 11 A 7.65 3.87 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 12 S 8.44 4.24 0.00 3.78 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 13 E 8.70 4.10 0.00 2.08 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 0.00 2.40 2.49 0.00 14 V 7.21 4.03 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 0.82 0.00 0.00 1.00 0.00 0.00 15 D 8.48 4.54 0.00 2.69 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 16 L 8.51 4.14 0.00 1.75 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.08 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 *19 L 8.02 4.16 0.00 1.88 1.86 0.96 0.96 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 20 A 8.45 3.96 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 21 A 7.89 4.04 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 22 E 8.16 4.13 0.00 2.14 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 0.00 2.33 2.34 0.00 23 L 8.20 4.21 0.00 1.71 1.69 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.99 4.06 0.00 4.01 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 25 P 0.00 4.31 0.00 2.01 2.05 0.00 3.79 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 1.98 2.04 0.00 26 I 7.68 4.25 1.74 0.00 0.00 0.53 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 0.52 0.74 0.00 0.00 27 L 7.41 4.65 0.00 1.66 1.60 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.87 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 29 D 8.66 4.32 0.00 2.67 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 30 N 8.06 4.85 0.00 2.83 2.89 0.00 0.00 5.74 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 31 E 8.17 4.72 0.00 1.88 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 2.18 2.21 0.00 32 E 8.84 4.82 0.00 1.92 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 0.00 2.23 2.38 0.00 33 L 8.66 4.35 0.00 1.66 1.60 0.95 0.75 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 34 Q 9.23 4.68 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.43 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 35 L 7.90 4.84 0.00 1.73 1.42 0.95 0.71 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 36 A 8.10 5.23 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 37 Y 8.98 4.85 0.00 3.06 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 *40 V 8.55 4.32 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 0.75 0.00 0.00 0.94 0.00 0.00 41 R 8.97 4.23 0.00 1.87 1.81 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 42 D 7.71 5.02 0.00 2.59 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 43 L 8.62 5.18 0.00 1.49 1.53 0.92 1.21 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 44 F 9.66 4.66 0.00 3.16 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 45 V 8.64 4.52 2.14 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 0.98 0.00 0.00 0.95 0.00 0.00 46 F 9.34 5.20 0.00 3.18 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 47 T 8.20 4.95 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 1.19 0.00 0.00 48 S 8.72 4.52 0.00 4.09 4.11 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 0.00 0.00 0.00 *50 R 7.67 3.13 0.00 1.72 1.83 0.00 2.83 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 51 L 8.01 4.54 0.00 1.72 1.44 0.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.66 4.80 1.80 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 1.14 0.46 0.94 0.00 0.00 53 L 8.88 4.50 0.00 1.32 1.39 0.64 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.49 4.56 1.70 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 1.06 0.60 0.40 0.00 0.00 55 D 8.04 5.69 0.00 2.51 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 *57 Q 8.60 4.13 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.57 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 58 G 8.39 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 59 V 8.34 3.62 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 0.75 0.00 0.00 0.92 0.00 0.00 60 T 7.89 3.95 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 1.20 0.00 0.00 61 G 7.51 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 *64 V 8.20 4.06 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 0.37 0.00 0.00 0.89 0.00 0.00 65 S 8.71 4.78 0.00 3.84 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 66 Y 8.81 4.83 0.00 2.75 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 67 H 9.36 4.77 0.00 3.08 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.69 5.10 0.00 3.76 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 69 I 8.70 4.40 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.92 0.00 0.00 70 P 0.00 4.30 0.00 1.93 1.96 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 71 Y 8.22 4.47 0.00 3.10 3.09 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 *73 A 8.05 4.31 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 74 I 7.67 4.60 2.15 0.00 0.00 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 1.29 0.89 1.12 0.00 0.00 75 V 9.25 4.01 2.38 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 0.90 0.00 0.00 1.03 0.00 0.00 76 H 8.03 5.20 0.00 3.18 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.28 5.65 0.00 3.13 3.12 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 78 Q 8.95 4.78 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 79 V 8.55 4.87 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 0.91 0.00 0.00 1.00 0.00 0.00 80 E 9.19 4.71 0.00 2.10 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 2.22 2.24 0.00 81 T 8.46 4.92 4.26 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 1.24 0.00 0.00 82 A 8.75 4.61 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 83 G 7.86 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 84 T 8.60 4.41 4.20 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 1.22 0.00 0.00 85 F 7.89 4.11 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 86 D 8.77 4.32 0.00 2.70 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 *88 D 7.72 4.55 0.00 2.64 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 89 A 8.49 4.82 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 90 E 9.10 4.81 0.00 1.99 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 2.18 2.23 0.00 91 L 8.17 5.42 0.00 1.85 1.62 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *93 L 8.21 4.45 0.00 1.60 1.67 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.22 5.03 0.00 3.21 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 95 I 8.30 5.08 1.92 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 1.27 1.08 1.00 0.00 0.00 96 S 9.06 4.21 0.00 3.85 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 97 G 8.91 3.94 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 0.00 98 Q 7.85 4.57 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 99 H 8.71 4.84 0.00 3.17 3.37 0.00 5.68 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 0.00 100 E 7.99 4.72 0.00 1.98 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 2.31 2.26 0.00 101 P 0.00 4.24 0.00 1.22 0.49 0.00 3.71 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 1.66 1.51 0.00 102 L 8.38 4.13 0.00 1.52 1.62 0.84 0.57 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 0.00 103 V 8.01 4.89 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 1.19 0.00 0.00 0.85 0.00 0.00 *105 E 8.47 4.17 0.00 2.06 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 2.21 2.37 0.00 106 L 8.66 4.78 0.00 1.57 1.52 0.87 0.71 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 *108 R 8.38 4.22 0.00 1.73 1.92 0.00 3.36 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 109 G 9.26 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 0.00 110 T 7.52 3.99 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 1.13 0.00 0.00 111 D 8.38 4.64 0.00 2.84 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 0.00 112 V 7.72 3.51 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 0.74 0.00 0.00 0.91 0.00 0.00 113 V 7.66 3.62 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 0.83 0.00 0.00 0.92 0.00 0.00 114 G 8.25 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 0.00 115 I 6.97 3.33 1.56 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.34 0.59 0.00 0.00 116 Q 7.73 4.15 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 *118 T 7.85 4.01 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 0.43 0.00 0.00 119 I 7.84 3.68 1.43 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 1.62 0.78 -0.07 0.00 0.00 120 A 7.78 4.14 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 0.00 121 R 7.71 3.64 0.00 1.55 1.76 0.00 2.73 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.37 0.00 122 Y 7.41 4.11 0.00 2.39 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 0.00 123 A 8.20 4.62 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 0.00 124 L 7.58 4.56 0.00 1.70 1.72 1.05 0.97 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 *125 G 8.08 3.73 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 0.00 * Residues marked with a * may have inaccurate shift predictions.