NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9201 8.3544 109.7387 45.3168 0.0000 172.5861 0 H 3.9117 8.8515 118.6319 56.5167 30.0117 173.2625 1 M 4.3866 8.3924 126.1129 53.3183 34.6875 174.1813 2 E 4.5131 8.3832 124.3865 53.8032 31.2956 175.1858 3 K 4.0656 8.5731 127.8898 56.5464 32.9443 175.8518 4 L 4.2379 8.6305 128.8001 56.5337 42.5624 176.1706 5 K 4.4371 7.4814 113.2408 56.3641 34.6802 173.9347 6 E 4.6590 8.5621 119.3604 54.8944 31.6009 175.2794 7 F 5.1887 7.5752 114.0640 55.4514 41.0670 173.8101 8 R 4.4561 9.4216 121.5652 55.7463 32.8771 176.1295 9 G 4.2056 8.9352 109.0647 45.6931 0.0000 174.3224 10 I 3.8502 8.3434 119.2004 64.1974 37.0327 178.8181 11 K 3.9284 8.1192 118.8280 59.7882 31.9379 179.0970 12 E 4.0001 8.2184 118.1725 59.3673 29.1286 178.5510 13 H 3.2799 8.3468 118.3647 59.2248 29.9055 177.2934 14 L 4.1164 8.2002 120.8990 57.6264 41.4274 179.7342 15 G 3.6436 8.1943 105.7160 48.0905 0.0000 176.2211 16 V 3.8622 8.1443 115.5509 63.7684 31.3930 178.5985 17 F 4.2106 8.0725 120.4088 61.2610 39.0992 177.2190 18 R 3.8800 8.0902 116.6485 59.4759 29.9335 178.5213 19 E 4.0499 8.2744 117.8032 59.3560 29.2508 179.1927 20 A 3.9810 7.7541 119.4582 54.6036 18.6554 179.3128 21 V 4.1119 7.2446 109.2948 60.9309 32.0459 178.3069 22 K 3.9036 7.5184 121.2850 59.6323 32.3713 177.3899 23 D 4.6128 7.8231 115.9127 53.7496 41.2801 176.3185 24 A 4.4424 7.6703 122.9993 52.1071 19.2811 176.8799 25 E 4.5907 9.5072 116.7205 57.0546 32.6527 176.0885 26 R 5.1167 9.0863 121.2110 54.1125 33.3584 174.1402 27 I 5.0264 8.9145 126.8238 59.4192 40.8960 174.4926 28 G 4.4490 8.7803 113.9736 44.5401 0.0000 172.1250 29 F 5.4727 9.8222 124.1185 55.8902 41.2307 174.5319 30 A 5.3904 9.1564 127.0179 50.4420 21.2348 175.6117 31 G 4.7210 8.7048 108.9132 45.5307 0.0000 172.2901 32 V 4.6149 8.3544 119.9610 60.2235 32.7054 174.2270 33 P 4.4051 0.0000 0.0000 64.6752 31.7447 175.3035 34 G 4.3507 9.1501 119.2440 46.0616 0.0000 174.8352 35 V 4.0058 7.1066 111.3942 60.3332 31.9335 177.4789 37 T 3.0224 8.3025 122.0834 64.8224 67.2392 172.6005 38 P 4.2385 0.0000 0.0000 64.7978 31.1101 178.7340 39 F 4.3957 7.5908 116.0368 60.3027 39.0491 177.2627 40 A 3.4079 8.0446 120.0021 55.2852 18.1345 179.5397 41 Q 3.8109 7.6683 116.2299 58.4049 28.6596 178.4880 42 L 3.8992 7.8836 121.5515 58.3220 41.9743 179.1620 43 F 3.8239 7.9349 115.9044 59.8456 39.1499 177.3306 44 A 4.4044 7.5833 120.7069 55.5719 17.9674 178.9247 45 Y 3.9712 7.8249 116.3050 60.9233 38.8592 178.0980 46 A 4.1466 7.7286 120.6276 53.8277 19.2608 177.8391 47 V 4.5474 7.7601 111.0541 60.8867 32.3357 177.3486 48 R 4.1894 7.8675 115.4726 57.8237 29.6958 177.0598 49 D 4.5144 7.9015 117.4326 54.6439 40.1027 176.3600 50 K 4.4043 7.8414 119.7371 55.5066 34.0380 176.7038 51 D 4.6467 9.1569 123.1789 54.0430 41.4612 174.2984 52 N 5.7940 8.7249 123.5637 51.5237 41.3657 174.1491 53 I 5.2232 9.2668 115.8241 59.1509 42.0041 173.6514 54 F 5.6575 9.4889 125.3108 56.6343 42.4094 173.6794 55 I 4.4835 8.9489 128.0260 58.6300 39.4259 173.0209 56 P 4.4398 0.0000 0.0000 62.8464 32.9224 176.0791 57 N 4.1999 9.1063 121.8096 54.9546 38.7763 175.0741 58 T 4.5339 8.9246 114.0228 62.3342 69.1970 174.3549 59 D 4.6690 8.1329 125.0025 52.4791 40.0183 176.1151 60 F 3.9828 8.7308 127.1078 60.8051 39.5927 177.3479 61 S 4.4470 8.3671 112.6268 60.2227 62.8128 174.5723 62 K 4.2499 7.8265 119.2043 55.9002 32.5760 176.3962 63 A 4.7156 7.7624 122.9223 52.0659 19.2051 177.0684 64 R 5.2361 8.4900 120.6117 53.6239 34.2447 175.4533 65 K 4.5509 8.5641 121.3084 57.2969 33.9534 175.6471 66 L 5.0133 8.8615 123.9394 53.5766 42.6477 175.8412 67 E 4.8155 9.4733 123.6878 54.3428 33.2826 175.4146 68 V 4.4241 8.4875 123.7728 62.7982 32.8651 175.0081 69 T 4.8190 9.3447 117.1493 59.4861 71.9462 174.2150 70 E 4.0011 8.8816 118.4596 58.8071 29.2941 177.1370 71 Y 4.3213 8.3622 115.9201 57.2759 39.6633 175.1751 72 G 3.7368 7.1154 107.2302 44.3000 0.0000 172.8608 73 V 4.7879 8.1555 124.0553 61.5030 33.1916 175.6488 74 E 4.8429 9.3968 126.1672 54.3647 34.2677 174.5380 75 L 4.6736 8.5178 120.8999 54.2797 42.4062 177.6185 76 G 4.4823 8.8218 111.4024 45.1261 0.0000 172.9057 77 E 4.4647 8.7504 122.0600 55.5658 31.6772 176.7886 78 I 4.0674 8.3137 121.0000 62.2041 37.6620 176.0820 79 S 4.6647 8.9806 122.9579 55.8799 62.9139 171.6549 80 P 4.5113 0.0000 0.0000 61.7687 32.8020 175.2899 81 G 4.1535 9.2412 107.4264 44.1863 0.0000 173.9687 82 N 4.9499 8.6835 121.3315 52.4868 38.7880 174.0198 83 V 4.7261 9.0778 111.8207 59.7507 35.1004 176.4391 84 D 4.7200 8.8882 120.9888 53.9010 41.4358 176.1162 85 V 4.7545 7.6608 119.6027 60.8710 34.8246 173.5207 86 L 5.0170 8.8831 130.2641 53.4035 44.2677 174.9085 87 V 4.7152 8.7959 127.4746 61.3219 33.3139 174.3634 88 L 4.9546 9.2616 129.6137 54.2220 43.1892 176.1971 89 L 5.0450 9.2657 124.2899 53.5278 43.4065 178.0109 90 G 3.0040 8.4512 109.1227 47.9867 0.0000 176.3423 91 G 3.6511 8.0153 106.8627 47.3764 0.0000 175.3378 92 L 4.2006 8.0590 121.6479 57.6760 41.4639 178.7029 93 S 3.6665 7.3538 111.0537 57.7168 63.7593 174.0756 94 M 4.3012 7.2993 123.4392 54.0571 32.6779 175.4296 95 P 4.2956 0.0000 0.0000 62.8022 31.7679 176.2153 *98 G 4.5386 8.1628 103.7924 46.4469 0.0000 172.6554 99 S 5.0552 8.7568 113.6004 55.9053 66.6226 173.5538 100 D 4.4809 8.6997 120.5031 54.4209 41.8465 176.8376 101 I 3.3557 8.7134 125.0647 64.4206 38.0173 178.1082 102 E 3.9253 8.0495 118.6353 59.2219 29.1931 178.8429 103 D 4.3930 7.9995 118.7523 57.1546 40.8540 178.8588 104 V 3.7228 7.8435 113.1185 64.0052 31.6017 178.6419 105 K 3.7638 8.0161 118.4251 59.2629 31.7500 179.2554 106 K 3.9083 8.1320 119.9720 59.1736 32.0751 178.7043 107 L 3.9073 7.6040 120.6514 58.1329 41.8229 179.0803 108 V 3.5335 7.9578 118.4522 65.9242 31.1820 177.5053 109 E 3.8574 7.8532 118.0551 59.3838 29.5243 178.1582 110 D 4.2986 7.9928 117.5015 56.3782 41.3433 177.8952 111 A 4.3773 8.5704 120.3293 51.2394 19.2689 175.7567 112 L 4.8815 6.9845 119.3997 52.9916 43.6018 176.2548 113 E 4.0772 8.7226 126.5608 56.5966 30.9473 176.6588 114 E 3.9138 8.7734 121.1683 58.2514 29.7910 177.7740 115 G 3.8207 9.1168 111.9002 45.5546 0.0000 173.3493 116 G 3.9112 8.1746 107.1636 45.7994 0.0000 173.1645 117 E 4.8690 8.8600 119.9086 54.7667 31.6768 175.1739 118 L 4.9486 9.4541 126.9019 53.9957 43.8720 175.1451 119 M 6.0221 8.7522 125.2415 52.5703 36.6509 174.6726 120 G 4.2658 8.3572 106.1818 44.4353 0.0000 171.4534 121 L 5.3286 9.3345 124.8357 52.9985 44.7380 175.5079 122 C 4.8387 8.6975 117.8789 57.1601 33.8218 172.1307 123 Y 4.8297 7.9878 115.2262 56.7768 41.1037 176.0795 124 M 3.3562 9.3091 119.6302 55.5753 30.3702 176.4090 125 D 4.3154 7.6707 113.9709 55.3406 40.6934 175.4634 126 M 3.8016 7.5982 118.2396 58.3743 32.1061 177.3354 127 F 4.2833 7.6536 116.9260 60.4560 39.2462 177.3158 128 A 2.9954 7.5352 119.8310 55.0406 17.9127 179.7997 129 R 3.8391 7.6633 115.0131 59.0498 30.2158 178.4879 130 A 4.2345 7.8445 118.2497 52.4440 18.6941 178.2472 131 G 4.0103 8.1135 106.2119 45.9966 0.0000 175.6985 132 W 4.5475 8.5675 120.7854 59.0085 28.8174 178.0522 133 Y 4.6281 8.3330 116.1362 60.7714 37.4356 177.1890 134 E 4.3942 8.1844 117.5837 57.6937 30.0629 177.7797 135 L 4.3147 7.8213 117.3793 54.5368 42.4910 176.2023 136 L 4.5646 7.2582 116.8366 52.7909 44.9100 176.3003 137 D 4.7632 7.7763 120.5886 52.5056 40.0500 174.9482 138 F 4.4006 7.8764 120.8380 57.0869 40.0656 175.3444 139 D 4.6578 9.3298 125.4465 56.7057 41.8200 176.7972 140 C 4.7481 7.8986 117.3178 57.7239 35.2847 172.9073 141 V 4.8178 8.3206 124.7374 61.0592 34.2882 174.3137 142 I 4.6025 8.8027 128.4004 59.5690 39.5638 173.9195 143 N 5.4736 9.0315 125.3184 51.5703 41.4976 173.2007 144 A 4.6894 8.4911 126.6653 50.1871 22.1456 174.4671 145 D 5.2432 8.5248 120.5355 52.6290 43.8375 175.6655 146 I 4.6820 8.2127 122.0515 59.6451 40.2598 174.5299 147 D 4.6100 8.0522 122.2597 52.6821 42.1188 174.5043 148 G 3.9794 7.4815 105.9117 46.0261 0.0000 172.0674 149 Y 4.8070 8.4344 115.2209 56.3014 42.0043 174.5261 150 V 4.4720 8.4216 121.0507 61.0648 33.7440 174.9570 151 L 4.9443 8.3682 125.4944 52.9210 44.9672 175.9348 152 R 4.6656 8.3788 118.9898 54.4401 33.5421 176.0582 153 G 3.7405 8.6247 108.9435 45.7328 0.0000 173.5027 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 G 8.35 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 0 H 8.85 3.91 0.00 3.24 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.39 4.39 0.00 1.62 1.55 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 2.11 0.00 2 E 8.38 4.51 0.00 1.92 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 2.29 2.26 0.00 3 K 8.57 4.07 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 4 L 8.63 4.24 0.00 1.63 1.69 0.93 0.62 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 5 K 7.48 4.44 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.53 7.81 6 E 8.56 4.66 0.00 1.96 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 2.19 2.26 0.00 7 F 7.58 5.19 0.00 3.21 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 8 R 9.42 4.46 0.00 1.73 1.85 0.00 3.27 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 9 G 8.94 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 0.00 0.00 0.00 0.00 10 I 8.34 3.85 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.91 0.92 0.00 0.00 11 K 8.12 3.93 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 12 E 8.22 4.00 0.00 2.35 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 0.00 2.47 2.44 0.00 13 H 8.35 3.28 0.00 3.53 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.20 4.12 0.00 1.84 1.66 0.85 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.19 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 16 V 8.14 3.86 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 0.87 0.00 0.00 0.61 0.00 0.00 17 F 8.07 4.21 0.00 3.31 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.09 3.88 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 19 E 8.27 4.05 0.00 2.17 1.97 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 2.32 2.44 0.00 20 A 7.75 3.98 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 21 V 7.24 4.11 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 0.31 0.00 0.00 0.50 0.00 0.00 22 K 7.52 3.90 0.00 1.82 2.04 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.38 7.81 23 D 7.82 4.61 0.00 2.65 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 24 A 7.67 4.44 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 25 E 9.51 4.59 0.00 2.03 2.16 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 2.16 2.41 0.00 26 R 9.09 5.12 0.00 1.86 1.93 0.00 3.23 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 27 I 8.91 5.03 2.10 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 1.11 0.52 0.55 0.00 0.00 28 G 8.78 4.45 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 0.00 29 F 9.82 5.47 0.00 3.26 3.27 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 30 A 9.16 5.39 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 31 G 8.70 4.72 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 32 V 8.35 4.61 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 0.90 0.00 0.00 1.00 0.00 0.00 33 P 0.00 4.41 0.00 2.14 2.18 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 34 G 9.15 4.35 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 0.00 35 V 7.11 4.01 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 0.74 0.00 0.00 1.01 0.00 0.00 37 T 8.30 3.02 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 0.78 0.00 0.00 38 P 0.00 4.24 0.00 1.39 1.74 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 39 F 7.59 4.40 0.00 3.22 3.26 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 40 A 8.04 3.41 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 41 Q 7.67 3.81 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 42 L 7.88 3.90 0.00 1.71 1.77 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.93 3.82 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 44 A 7.58 4.40 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 45 Y 7.82 3.97 0.00 3.04 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 46 A 7.73 4.15 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 47 V 7.76 4.55 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 0.96 0.00 0.00 1.47 0.00 0.00 48 R 7.87 4.19 0.00 1.84 1.95 0.00 2.79 0.00 0.00 2.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 49 D 7.90 4.51 0.00 2.80 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 50 K 7.84 4.40 0.00 2.00 1.83 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.60 1.58 7.81 51 D 9.16 4.65 0.00 2.77 2.74 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 0.00 0.00 0.00 52 N 8.72 5.79 0.00 2.87 3.09 0.00 0.00 6.53 7.57 0.00 0.00 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 I 9.27 5.22 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.96 0.00 0.00 54 F 9.49 5.66 0.00 3.09 2.99 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 55 I 8.95 4.48 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.89 0.00 0.00 56 P 0.00 4.44 0.00 2.08 2.11 0.00 3.80 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 57 N 9.11 4.20 0.00 2.82 2.04 0.00 0.00 6.86 7.13 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 58 T 8.92 4.53 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 1.29 0.00 0.00 59 D 8.13 4.67 0.00 2.77 2.69 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 0.00 0.00 0.00 60 F 8.73 3.98 0.00 3.09 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 61 S 8.37 4.45 0.00 4.08 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 62 K 7.83 4.25 0.00 1.91 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 63 A 7.76 4.72 0.88 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 0.00 0.00 64 R 8.49 5.24 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 65 K 8.56 4.55 0.00 1.92 1.99 0.00 1.32 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.47 7.81 66 L 8.86 5.01 0.00 1.61 1.69 1.05 0.77 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 67 E 9.47 4.82 0.00 1.96 1.83 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 2.25 2.25 0.00 68 V 8.49 4.42 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 0.94 0.00 0.00 1.04 0.00 0.00 69 T 9.34 4.82 4.34 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 1.26 0.00 0.00 70 E 8.88 4.00 0.00 1.95 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 0.00 2.25 1.64 0.00 71 Y 8.36 4.32 0.00 3.14 3.01 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 0.00 0.00 0.00 72 G 7.12 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.16 4.79 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 1.12 0.00 0.00 74 E 9.40 4.84 0.00 1.86 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 2.18 2.27 0.00 75 L 8.52 4.67 0.00 1.54 1.63 0.97 0.98 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 76 G 8.82 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.46 0.00 2.07 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 2.38 2.36 0.00 78 I 8.31 4.07 1.87 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 1.22 0.39 0.89 0.00 0.00 79 S 8.98 4.66 0.00 3.80 3.74 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 0.00 0.00 0.00 80 P 0.00 4.51 0.00 2.33 2.08 0.00 3.82 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 2.00 1.98 0.00 81 G 9.24 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.68 4.95 0.00 3.00 2.76 0.00 0.00 5.94 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 83 V 9.08 4.73 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 1.05 0.00 0.00 84 D 8.89 4.72 0.00 2.80 3.08 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 85 V 7.66 4.75 2.02 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 0.93 0.00 0.00 0.88 0.00 0.00 86 L 8.88 5.02 0.00 1.81 1.51 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.80 4.72 1.88 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 1.10 0.00 0.00 0.89 0.00 0.00 88 L 9.26 4.95 0.00 2.12 2.00 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.27 5.04 0.00 2.00 1.71 1.17 1.38 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 90 G 8.45 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 0.00 0.00 0.00 91 G 8.02 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 92 L 8.06 4.20 0.00 2.13 2.19 1.28 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.35 3.67 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 94 M 7.30 4.30 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 95 P 0.00 4.30 0.00 2.03 2.11 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 *98 G 8.16 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 99 S 8.76 5.06 0.00 3.94 3.89 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 0.00 100 D 8.70 4.48 0.00 2.80 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 0.00 101 I 8.71 3.36 1.76 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.84 0.00 0.00 102 E 8.05 3.93 0.00 1.98 1.93 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 2.36 2.31 0.00 103 D 8.00 4.39 0.00 2.97 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 0.00 104 V 7.84 3.72 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 0.97 0.00 0.00 0.52 0.00 0.00 105 K 8.02 3.76 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.39 7.81 106 K 8.13 3.91 0.00 1.96 1.96 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.62 7.81 107 L 7.60 3.91 0.00 1.88 1.85 1.10 1.32 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 0.00 108 V 7.96 3.53 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 0.84 0.00 0.00 0.85 0.00 0.00 109 E 7.85 3.86 0.00 2.08 2.03 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 2.26 2.33 0.00 110 D 7.99 4.30 0.00 2.51 2.33 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 0.00 111 A 8.57 4.38 1.54 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 0.00 112 L 6.98 4.88 0.00 1.63 1.71 0.91 1.02 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 0.00 113 E 8.72 4.08 0.00 1.97 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 2.33 2.60 0.00 114 E 8.77 3.91 0.00 1.82 1.91 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 2.29 2.27 0.00 115 G 9.12 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 0.00 0.00 0.00 0.00 116 G 8.17 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 0.00 0.00 0.00 117 E 8.86 4.87 0.00 1.91 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 2.24 2.21 0.00 118 L 9.45 4.95 0.00 1.65 1.49 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.75 6.02 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 120 G 8.36 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 0.00 0.00 0.00 0.00 121 L 9.33 5.33 0.00 1.51 1.29 -0.13 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 122 C 8.70 4.84 0.00 2.44 2.24 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 0.00 123 Y 7.99 4.83 0.00 2.71 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 0.00 124 M 9.31 3.36 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 125 D 7.67 4.32 0.00 2.97 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 0.00 126 M 7.60 3.80 0.00 1.54 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 127 F 7.65 4.28 0.00 3.12 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 0.00 128 A 7.54 3.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.66 3.84 0.00 1.82 1.93 0.00 3.09 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 130 A 7.84 4.23 1.01 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 0.00 0.00 0.00 0.00 0.00 131 G 8.11 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.57 4.55 0.00 3.84 3.55 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 0.00 133 Y 8.33 4.63 0.00 2.95 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 0.00 134 E 8.18 4.39 0.00 2.03 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 2.41 2.46 0.00 135 L 7.82 4.31 0.00 1.42 1.46 0.92 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 0.00 136 L 7.26 4.56 0.00 1.37 0.69 0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 137 D 7.78 4.76 0.00 2.49 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 0.00 138 F 7.88 4.40 0.00 2.95 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 0.00 139 D 9.33 4.66 0.00 2.66 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 0.00 140 C 7.90 4.75 0.00 2.93 2.69 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 0.00 0.00 0.00 141 V 8.32 4.82 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 0.98 0.00 0.00 0.12 0.00 0.00 142 I 8.80 4.60 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.98 0.00 0.00 143 N 9.03 5.47 0.00 2.69 2.65 0.00 0.00 6.95 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 0.00 144 A 8.49 4.69 1.05 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 0.00 145 D 8.52 5.24 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.21 4.68 1.88 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 1.57 0.78 0.91 0.00 0.00 147 D 8.05 4.61 0.00 2.58 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 0.00 148 G 7.48 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 0.00 149 Y 8.43 4.81 0.00 2.90 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 0.00 150 V 8.42 4.47 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 0.85 0.00 0.00 0.95 0.00 0.00 151 L 8.37 4.94 0.00 1.61 1.50 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.38 4.67 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 153 G 8.62 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.