NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4473 8.3344 115.4144 58.1149 64.4444 172.6539 4 Q 4.0216 8.4208 126.6672 54.5743 30.6595 173.0705 5 K 4.5501 9.1109 126.8701 56.5055 33.9113 175.0253 6 Y 5.1932 9.1460 122.1036 56.0794 41.9534 174.5455 7 L 5.1994 8.9673 122.5008 53.1551 44.8030 175.5556 8 F 5.0225 9.6406 124.1935 56.2873 40.4852 174.9508 9 I 5.0679 8.9743 125.8706 59.0978 39.6207 175.3843 10 D 5.0810 8.9213 127.1723 54.3690 41.5813 175.0948 11 R 4.1122 8.7528 122.3555 58.2296 31.0178 175.3986 12 D 4.5990 7.7850 119.0453 55.6897 41.3316 177.1083 13 G 4.1087 9.6759 113.8123 45.7779 0.0000 172.8453 14 T 3.8517 7.5503 113.3502 64.8542 71.1416 176.0474 15 L 4.2244 8.4662 121.2295 56.4323 42.4789 176.7933 16 I 5.0246 7.1587 109.8185 58.5303 41.4233 175.1804 17 S 4.7498 9.1390 119.4701 58.2289 63.4871 173.6353 18 E 4.4417 8.6547 124.8043 54.2242 30.5549 174.0367 19 P 4.4746 0.0000 0.0000 63.0671 30.5863 177.5945 *22 D 4.4072 9.0908 124.2524 52.9375 40.6029 175.1646 23 F 3.9015 7.3204 115.1160 58.6728 37.0677 174.8771 24 Q 4.2554 7.7508 118.0981 54.2178 31.2864 176.5915 25 V 3.9740 8.3468 124.6189 61.4191 29.9488 174.6020 26 D 5.3214 7.9484 117.8226 51.4946 40.4989 176.9375 27 R 4.6641 7.4036 117.8199 54.4817 34.4360 176.0007 28 F 4.1918 8.8177 119.8095 60.7856 39.0672 176.9458 29 D 4.6421 8.2187 117.0738 54.6088 39.3116 176.6047 30 K 4.3072 7.7219 118.7885 56.4365 32.7825 176.1728 31 L 4.2666 7.7454 122.2337 54.3402 42.7907 175.7543 32 A 4.7967 8.2382 126.3385 50.8896 22.5962 175.1689 33 F 4.5523 9.1211 121.6733 57.0511 39.6671 175.6124 34 E 4.4259 9.0251 122.0989 55.4411 30.8224 174.9480 35 P 4.4441 0.0000 0.0000 64.2908 32.0012 177.1540 36 G 4.0782 9.1759 110.3562 46.1216 0.0000 175.4764 37 V 2.7334 7.5875 121.1848 64.6515 31.0924 178.3352 38 I 3.8149 7.7650 120.2480 63.5454 37.1176 176.3689 39 P 4.2414 0.0000 0.0000 66.1777 30.8553 178.3918 40 Q 4.0226 8.1608 117.7248 58.6936 28.6318 178.4472 41 L 3.8345 7.7889 120.0501 57.5062 41.5257 179.5342 42 L 3.9242 8.0372 119.1539 57.6357 41.5961 179.3801 43 K 3.9359 8.1785 119.5763 59.5809 32.1901 178.8766 44 L 4.1508 8.1924 119.4176 57.8137 41.5601 179.3325 45 Q 4.3086 8.3494 119.8135 58.4997 28.4305 179.2273 46 K 4.0602 7.9537 118.1341 58.9570 32.1580 178.4577 47 A 4.3035 7.7032 118.6767 52.5421 18.5279 178.0247 48 G 3.7948 7.8869 106.1527 44.8437 0.0000 173.4557 49 Y 4.3742 7.8809 118.2504 57.6193 39.2054 175.0094 50 K 4.4504 8.7908 123.3057 55.1934 34.7234 175.3953 51 L 5.1451 8.2741 122.3798 53.0166 44.8047 175.5653 52 V 4.8612 8.7073 122.7746 61.3912 34.8329 173.7675 53 M 4.8137 9.0071 128.3495 54.8092 33.9607 174.6173 54 I 5.0796 8.8944 125.7141 59.6598 41.7243 173.6859 55 T 4.8923 8.9750 123.4093 60.6651 71.2647 172.0825 56 N 4.9947 8.8679 126.0744 52.7949 39.6118 175.2498 57 Q 4.6566 9.2002 125.0772 53.0561 29.2754 172.8284 58 D 4.7708 7.9946 119.6877 55.0782 41.3915 177.0656 59 G 3.9097 8.8013 111.8302 45.8198 0.0000 172.3727 60 L 3.8810 7.6024 121.8677 56.1101 42.2149 177.3336 61 G 3.7963 9.1012 114.6638 45.4640 0.0000 172.3240 62 T 4.6502 7.3454 109.2252 58.8308 71.5432 174.6048 63 Q 3.9931 8.6669 121.7199 59.1223 29.0004 177.5200 64 S 4.3263 7.7121 111.2984 60.9645 62.9849 174.4301 65 F 5.3060 8.2414 121.4123 56.1399 40.8829 170.8823 66 P 4.6276 0.0000 0.0000 62.3691 32.5317 177.2539 67 Q 3.7769 8.8946 122.2012 59.5792 28.7667 179.0287 68 A 4.0326 7.9906 120.9641 55.3084 18.0636 179.2133 69 D 4.4467 8.0388 117.2173 57.3641 40.8830 178.7502 70 F 4.3049 8.0813 120.8638 61.2106 39.3851 176.9065 71 D 4.4518 8.4784 118.8743 57.5150 40.6395 178.4682 72 G 3.5398 7.5978 104.7019 47.5127 0.0000 173.7444 73 P 4.1114 0.0000 0.0000 64.8658 31.4041 178.3396 74 H 3.8447 7.6700 116.9034 59.3382 29.6252 177.1519 75 N 4.3305 8.4082 118.6702 56.0595 38.2782 177.2707 76 L 3.9854 8.1326 121.9131 58.2716 42.2590 178.4926 77 M 4.2048 8.4532 118.6269 59.1891 32.0828 178.1283 78 M 4.2744 8.3882 119.0451 58.3437 32.0206 178.3292 79 Q 4.0098 8.4138 120.0036 59.3635 29.2310 178.6986 80 I 3.5969 7.9220 120.4896 64.3831 37.1893 178.1343 81 F 4.4551 8.2179 118.4838 61.2559 38.8911 177.9576 82 T 4.0981 8.5744 115.5749 66.8415 68.1195 176.9148 83 S 4.2079 8.2611 114.8797 61.0682 62.9297 175.5273 84 Q 4.3986 7.7016 118.6372 55.5658 28.9103 176.4088 85 G 3.9242 8.1319 109.0179 44.9111 0.0000 173.6987 86 V 3.9619 7.5862 120.1767 61.8324 32.0460 175.1478 87 Q 4.5665 9.1392 126.5112 53.9759 31.2531 174.7996 88 F 4.8049 8.5930 121.2512 55.7150 40.6698 175.4101 89 D 4.7290 9.1690 126.7900 57.4022 41.2642 176.8036 90 E 4.8335 8.2367 115.2972 54.8303 34.5881 174.7751 91 V 4.6346 8.4887 122.0210 61.4314 33.4491 174.5029 92 L 4.7134 9.1639 129.5532 53.2795 43.4742 175.8819 93 I 4.8499 8.2948 124.2006 59.5375 40.4655 174.3585 94 C 4.5474 8.8695 128.0288 57.3682 32.8840 171.6802 95 P 4.7521 0.0000 0.0000 63.2167 32.2794 175.5653 96 H 4.9245 7.8031 118.0881 55.0904 30.0146 174.6746 97 L 4.3633 8.5966 122.0575 53.8608 42.5229 176.5476 98 P 4.1527 0.0000 0.0000 65.8658 31.3526 178.6594 99 A 4.0893 7.9433 118.6993 54.7100 18.4366 178.2566 100 D 4.3266 8.1514 115.5504 55.5785 41.4897 176.3302 101 E 3.6902 7.9642 118.0890 57.3158 27.3045 173.2086 102 C 4.4010 7.4539 112.4774 57.6757 31.7763 173.3273 103 D 4.6198 8.4036 117.7849 55.0473 40.8780 177.0366 104 C 4.6249 7.7502 111.8526 57.4863 30.9178 173.7542 105 R 4.1847 7.7583 122.6736 55.6501 30.1535 175.5587 106 K 4.1340 8.5679 125.6340 56.7958 32.4895 174.7385 107 P 4.7063 0.0000 0.0000 62.4398 31.5748 176.1317 108 K 4.0622 7.9251 118.3241 57.5322 32.5055 177.2437 109 V 4.1566 8.0882 113.2591 60.9948 32.4216 177.6725 110 K 3.7896 8.1731 123.0330 59.6585 31.9173 178.6476 111 L 4.0614 8.0038 116.3618 57.2531 41.8082 178.4299 112 V 4.6340 7.7464 110.1795 61.0438 32.3275 177.1799 113 E 3.9548 8.2722 123.2436 59.5839 29.4979 179.4593 114 R 3.8264 8.0224 117.4549 59.5245 30.1307 177.1198 115 Y 4.1591 7.7922 114.3629 60.1772 38.4020 176.5827 116 L 4.2683 7.4501 122.0808 53.1193 40.1682 175.2211 *121 M 4.6046 7.5719 117.7125 55.3550 33.7349 175.1326 122 D 4.6674 8.8963 126.4501 53.2218 39.6139 176.5320 123 R 3.9808 8.4845 125.1598 58.7640 30.4864 179.2381 124 A 4.0737 8.1057 119.3249 54.3756 18.5305 177.3759 125 N 5.1737 8.2426 110.9105 53.0521 40.4498 174.6557 126 S 5.3957 7.8744 114.8847 57.4794 65.9371 172.8639 127 Y 5.3108 9.1222 118.8874 56.5793 42.8540 174.2030 128 V 4.8371 8.8975 122.7790 61.9155 33.6172 174.5775 129 I 4.9912 8.9065 129.2049 59.8264 39.5890 174.9450 130 G 4.6475 8.8331 113.2160 45.3587 0.0000 173.0352 131 D 5.3781 8.8423 117.5178 52.4685 40.5031 176.4525 132 R 4.6908 8.0669 119.1638 53.9072 33.2720 176.4506 133 A 4.0431 8.6406 121.9803 55.8194 18.1600 180.3509 134 T 3.8197 7.8934 107.5248 64.9051 68.7567 176.3898 135 D 4.3516 8.1011 122.0809 57.2573 40.8177 178.6869 136 I 3.7567 7.6745 119.9878 64.3362 37.1353 178.0882 137 Q 3.9501 8.3434 120.6776 58.8846 28.7637 177.8450 138 L 3.8682 8.1482 121.3672 58.0850 42.0677 178.7274 139 A 3.9275 7.9124 120.5547 55.2143 18.4140 179.1622 140 E 3.8358 8.0909 117.6188 59.6861 29.5217 178.8658 141 N 4.3634 8.2839 115.4861 56.3495 38.6639 176.7250 142 M 4.2362 8.2432 118.5587 55.1644 32.3213 176.5764 143 G 3.8351 7.8240 107.0334 46.5513 0.0000 172.8135 144 I 4.6875 7.4123 112.4763 58.3169 41.1018 174.4546 145 N 4.5993 8.3838 118.5421 53.1636 39.6425 174.8686 146 G 4.4861 8.6192 107.5891 44.4502 0.0000 172.0815 147 L 4.7831 9.1806 124.1873 52.7699 44.7200 175.9243 148 R 4.4840 8.6579 125.4162 54.9892 29.7835 174.6735 149 Y 4.0934 8.6486 128.2073 57.6627 40.3059 174.6993 150 D 4.4138 7.7635 125.1832 52.2909 44.3240 175.8256 151 R 3.6771 8.4498 127.0489 59.1337 30.4331 177.1270 152 E 4.2324 8.3943 116.6343 58.0968 29.9275 177.2371 153 T 4.4094 7.6816 105.3799 61.7933 70.8672 174.7735 154 L 4.3940 7.5902 123.6363 52.9111 43.5937 173.1765 155 N 4.8114 7.4836 121.4403 50.2115 41.5843 175.2474 156 W 4.4683 8.7119 118.8827 59.9855 29.1479 176.6596 157 P 4.4113 0.0000 0.0000 65.9652 30.7271 178.5960 158 M 4.0965 8.2527 117.0552 58.4012 31.8668 178.9200 159 I 3.7293 8.1203 120.3420 64.2198 37.0448 178.6831 160 G 3.9245 8.3569 107.2621 47.2049 0.0000 175.0671 161 E 4.1004 8.2878 121.8066 58.9904 29.4963 178.6270 162 Q 3.9986 7.9555 118.2755 59.0962 29.3063 177.5752 163 L 4.4138 7.7748 116.5906 55.2687 41.9920 176.9820 164 T 4.2986 7.4962 113.8293 61.7097 68.8081 173.7271 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 3 S 8.33 4.45 0.00 4.02 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 4 Q 8.42 4.02 0.00 2.17 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.11 0.00 0.00 0.00 0.00 0.00 1.73 1.37 0.00 5 K 9.11 4.55 0.00 1.42 1.63 0.00 1.17 0.00 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.29 7.81 6 Y 9.15 5.19 0.00 2.82 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 0.00 0.00 0.00 7 L 8.97 5.20 0.00 1.50 1.58 0.63 0.84 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 8 F 9.64 5.02 0.00 2.93 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 9 I 8.97 5.07 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 1.17 0.00 0.00 10 D 8.92 5.08 0.00 2.70 2.60 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 11 R 8.75 4.11 0.00 1.88 1.82 0.00 3.27 0.00 0.00 3.43 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 12 D 7.78 4.60 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 13 G 9.68 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 0.00 0.00 0.00 14 T 7.55 3.85 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 1.10 0.00 0.00 15 L 8.47 4.22 0.00 1.66 1.76 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.16 5.02 1.89 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 1.29 0.96 0.46 0.00 0.00 17 S 9.14 4.75 0.00 3.78 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 18 E 8.65 4.44 0.00 2.15 1.94 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 2.38 2.49 0.00 19 P 0.00 4.47 0.00 2.08 1.20 0.00 3.69 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 2.05 0.00 *22 D 9.09 4.41 0.00 2.75 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 23 F 7.32 3.90 0.00 3.17 3.13 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 24 Q 7.75 4.26 0.00 1.80 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.28 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 25 V 8.35 3.97 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 0.79 0.00 0.00 0.96 0.00 0.00 26 D 7.95 5.32 0.00 2.92 2.57 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 0.00 0.00 0.00 0.00 27 R 7.40 4.66 0.00 1.86 1.89 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 28 F 8.82 4.19 0.00 3.12 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 29 D 8.22 4.64 0.00 2.80 2.84 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 0.00 0.00 0.00 30 K 7.72 4.31 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 31 L 7.75 4.27 0.00 1.65 1.84 0.96 1.10 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 32 A 8.24 4.80 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 33 F 9.12 4.55 0.00 2.77 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 34 E 9.03 4.43 0.00 2.22 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 2.32 2.58 0.00 35 P 0.00 4.44 0.00 2.21 2.12 0.00 4.04 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 36 G 9.18 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 37 V 7.59 2.73 1.76 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 1.06 0.00 0.00 0.12 0.00 0.00 38 I 7.77 3.81 1.89 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 1.93 0.71 0.94 0.00 0.00 39 P 0.00 4.24 0.00 2.27 2.32 0.00 3.71 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 2.25 2.08 0.00 40 Q 8.16 4.02 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.70 2.85 0.00 41 L 7.79 3.83 0.00 1.52 1.42 0.44 0.05 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 42 L 8.04 3.92 0.00 1.84 1.70 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.18 3.94 0.00 1.93 2.02 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.19 4.15 0.00 1.82 1.66 0.93 0.72 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 45 Q 8.35 4.31 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 46 K 7.95 4.06 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 47 A 7.70 4.30 1.47 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 48 G 7.89 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 49 Y 7.88 4.37 0.00 3.06 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 50 K 8.79 4.45 0.00 1.28 1.87 0.00 1.96 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.40 7.81 51 L 8.27 5.15 0.00 1.25 1.31 0.31 0.59 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 52 V 8.71 4.86 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 1.00 0.00 0.00 0.57 0.00 0.00 53 M 9.01 4.81 0.00 1.90 1.14 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 54 I 8.89 5.08 1.95 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 1.13 1.33 1.00 0.00 0.00 55 T 8.98 4.89 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 1.24 0.00 0.00 56 N 8.87 4.99 0.00 2.65 2.76 0.00 0.00 6.86 7.69 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 57 Q 9.20 4.66 0.00 1.70 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 58 D 7.99 4.77 0.00 2.69 2.70 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 59 G 8.80 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 60 L 7.60 3.88 0.00 1.29 1.34 -0.12 0.15 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 61 G 9.10 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 0.00 0.00 0.00 62 T 7.35 4.65 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 1.24 0.00 0.00 63 Q 8.67 3.99 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 64 S 7.71 4.33 0.00 3.94 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 65 F 8.24 5.31 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 66 P 0.00 4.63 0.00 2.27 2.00 0.00 4.00 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 67 Q 8.89 3.78 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 68 A 7.99 4.03 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 69 D 8.04 4.45 0.00 3.23 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 70 F 8.08 4.30 0.00 2.29 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 71 D 8.48 4.45 0.00 2.91 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 72 G 7.60 3.54 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 73 P 0.00 4.11 0.00 1.92 1.92 0.00 3.40 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.41 0.00 74 H 7.67 3.84 0.00 2.05 2.73 0.00 5.78 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 75 N 8.41 4.33 0.00 2.87 2.89 0.00 0.00 6.72 6.30 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 76 L 8.13 3.99 0.00 2.08 2.00 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.45 4.20 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.63 0.00 78 M 8.39 4.27 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 79 Q 8.41 4.01 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 80 I 7.92 3.60 1.90 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 1.31 0.78 0.34 0.00 0.00 81 F 8.22 4.46 0.00 3.42 3.33 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 82 T 8.57 4.10 4.40 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 1.26 0.00 0.00 83 S 8.26 4.21 0.00 4.00 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 84 Q 7.70 4.40 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.49 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 85 G 8.13 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 86 V 7.59 3.96 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 0.18 0.00 0.00 0.96 0.00 0.00 87 Q 9.14 4.57 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.39 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 88 F 8.59 4.80 0.00 3.02 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 89 D 9.17 4.73 0.00 2.77 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 90 E 8.24 4.83 0.00 2.02 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 2.40 2.48 0.00 91 V 8.49 4.63 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 0.83 0.00 0.00 0.90 0.00 0.00 92 L 9.16 4.71 0.00 1.63 1.60 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 101 E 7.96 3.69 0.00 2.04 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 2.24 2.21 0.00 102 C 7.45 4.40 0.00 2.84 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 0.00 103 D 8.40 4.62 0.00 2.64 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 C 7.75 4.62 0.00 3.05 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 0.00 105 R 7.76 4.18 0.00 1.87 1.84 0.00 3.20 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 106 K 8.57 4.13 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.39 7.81 107 P 0.00 4.71 0.00 2.15 2.32 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 108 K 7.93 4.06 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.40 7.81 109 V 8.09 4.16 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 0.66 0.00 0.00 0.95 0.00 0.00 110 K 8.17 3.79 0.00 1.91 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 111 L 8.00 4.06 0.00 1.68 1.77 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.75 4.63 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 0.58 0.00 0.00 0.83 0.00 0.00 113 E 8.27 3.95 0.00 2.09 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 0.00 2.61 2.40 0.00 114 R 8.02 3.83 0.00 1.64 1.75 0.00 2.70 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 115 Y 7.79 4.16 0.00 3.10 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 0.00 116 L 7.45 4.27 0.00 1.79 1.63 0.88 0.66 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 *121 M 7.57 4.60 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.74 0.00 122 D 8.90 4.67 0.00 2.86 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 0.00 123 R 8.48 3.98 0.00 1.93 2.12 0.00 3.20 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 124 A 8.11 4.07 1.33 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 0.00 0.00 125 N 8.24 5.17 0.00 2.78 2.93 0.00 0.00 6.89 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 0.00 126 S 7.87 5.40 0.00 3.95 4.14 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 0.00 127 Y 9.12 5.31 0.00 2.84 2.84 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 0.00 0.00 0.00 128 V 8.90 4.84 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 1.06 0.00 0.00 0.97 0.00 0.00 129 I 8.91 4.99 1.97 0.00 0.00 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 1.11 0.65 0.66 0.00 0.00 130 G 8.83 4.65 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 0.00 131 D 8.84 5.38 0.00 2.92 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 0.00 132 R 8.07 4.69 0.00 2.03 1.83 0.00 3.14 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 133 A 8.64 4.04 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 0.00 134 T 7.89 3.82 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 1.19 0.00 0.00 135 D 8.10 4.35 0.00 2.88 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 0.00 136 I 7.67 3.76 2.03 0.00 0.00 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 1.70 0.88 0.92 0.00 0.00 137 Q 8.34 3.95 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.15 3.87 0.00 1.86 1.85 0.89 0.92 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 0.00 139 A 7.91 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 0.00 140 E 8.09 3.84 0.00 2.06 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 2.29 2.34 0.00 141 N 8.28 4.36 0.00 2.78 2.83 0.00 0.00 7.14 7.20 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 0.00 142 M 8.24 4.24 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 143 G 7.82 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.41 4.69 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.99 0.00 0.00 145 N 8.38 4.60 0.00 1.95 2.67 0.00 0.00 7.10 6.89 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 0.00 146 G 8.62 4.49 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 0.00 0.00 0.00 147 L 9.18 4.78 0.00 1.50 1.49 0.58 0.70 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 0.00 148 R 8.66 4.48 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 149 Y 8.65 4.09 0.00 2.87 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 0.00 150 D 7.76 4.41 0.00 2.50 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 0.00 0.00 0.00 151 R 8.45 3.68 0.00 2.00 1.94 0.00 3.33 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 152 E 8.39 4.23 0.00 2.10 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 2.28 2.26 0.00 153 T 7.68 4.41 4.17 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 1.20 0.00 0.00 154 L 7.59 4.39 0.00 1.58 1.42 0.83 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.48 4.81 0.00 3.02 2.94 0.00 0.00 6.11 8.88 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 0.00 156 W 8.71 4.47 0.00 3.78 3.33 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 0.00 157 P 0.00 4.41 0.00 2.21 2.17 0.00 3.98 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 158 M 8.25 4.10 0.00 2.06 2.27 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 2.76 2.56 0.00 159 I 8.12 3.73 2.01 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.84 0.00 0.00 160 G 8.36 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 0.00 161 E 8.29 4.10 0.00 2.14 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 0.00 2.32 2.33 0.00 162 Q 7.96 4.00 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 163 L 7.77 4.41 0.00 1.58 1.51 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.50 4.30 4.30 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 1.35 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.