NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0399 7.8827 121.4409 61.1164 38.5028 173.9263 17 V 3.9975 8.3207 125.5898 62.2288 32.1569 173.8987 18 G 3.8231 8.9423 116.7413 47.1141 0.0000 172.1920 19 G 4.2973 7.9541 109.9254 43.4308 0.0000 172.2997 20 Y 4.9203 7.7306 116.5127 54.9384 41.2771 175.4771 21 T 4.4372 8.5137 117.3342 64.1075 68.3698 175.5601 22 C 4.3275 8.9409 124.4700 57.9664 40.3329 172.7530 23 A 4.0070 8.3155 123.7105 51.2509 18.0477 176.8637 24 A 3.7593 8.4999 123.6061 54.0511 18.7657 177.0055 25 N 4.2735 8.4542 117.4084 54.3171 36.5705 175.7067 26 S 4.3424 7.6784 112.7691 59.7880 63.7239 174.5322 27 V 4.0095 7.0774 118.9505 60.3515 30.9150 173.8928 28 P 4.4520 0.0000 0.0000 64.7142 32.1524 178.2719 29 Y 5.0127 6.5491 115.6975 56.9303 38.7925 174.8480 30 Q 4.5345 7.2189 123.1129 56.4483 29.7143 175.4898 31 V 4.6936 9.2743 125.7400 61.1189 35.6997 173.7420 32 S 5.1504 8.6580 120.1817 56.4698 65.0347 172.5805 33 L 4.5581 8.4399 127.7638 53.5122 43.1231 175.0784 34 N 5.7336 8.9112 122.3214 50.2455 41.8218 174.3509 *37 S 4.3071 8.3135 119.9546 56.8837 63.9136 172.0959 38 G 4.2349 8.8078 117.7221 46.3621 0.0000 172.5051 39 S 4.4838 7.6686 113.0357 55.8918 65.9759 172.5600 40 H 4.2650 8.6745 120.5845 56.8475 29.5773 174.4232 41 F 4.8366 8.0380 120.5629 57.3554 39.9164 173.6764 42 C 4.7112 6.5216 116.6746 56.1855 45.0285 171.8496 43 G 4.2130 7.9238 106.2619 46.2288 0.0000 171.2298 44 G 4.2107 8.1557 105.5361 46.2659 0.0000 172.5335 45 S 5.5608 8.4185 115.2485 56.3894 66.4411 173.8142 46 L 4.7083 9.1164 127.2534 54.9007 42.2815 177.1403 47 I 4.2164 8.5183 119.8760 61.2102 38.6770 174.4734 48 N 5.0465 7.8318 116.7749 52.7163 39.6387 175.0530 49 S 4.2595 8.7065 111.9054 60.4863 63.2867 175.0803 50 Q 4.4419 8.1907 119.9049 55.2365 30.3793 174.0016 51 W 5.4123 8.0637 116.3422 55.5981 32.9047 174.2536 52 V 5.0391 9.2266 125.1893 61.1285 33.8193 174.4569 53 V 4.8324 8.5040 126.8406 60.4792 33.6566 174.5172 54 S 4.7771 9.0211 119.8109 57.3452 66.1177 171.6583 55 A 4.9341 8.4421 119.2932 50.0672 21.2610 177.6855 56 A 3.7056 8.2939 124.8500 55.3420 18.4071 178.8974 57 H 4.6608 8.0682 108.3803 56.7461 28.4103 175.1848 58 C 4.7906 8.0065 116.6388 56.9449 40.5580 173.3314 59 Y 4.1832 7.6312 121.8546 57.9182 38.6902 175.6022 60 K 4.3588 7.5615 124.9708 54.1266 36.2445 176.0874 61 S 3.8334 8.0116 115.5463 58.7923 63.8517 171.1697 62 R 3.7462 8.5638 127.7234 55.9799 27.3662 175.5350 63 I 4.7960 7.7248 122.2601 59.3930 42.0996 173.9881 64 Q 4.7992 8.9932 127.2775 54.2591 31.5777 174.2956 65 V 4.2264 8.6912 127.2853 62.1285 33.3356 174.6267 66 R 5.0475 8.5948 127.0875 54.6375 32.3404 175.1011 67 L 4.7261 9.0405 124.8127 52.5435 44.7013 177.3779 *69 G 3.8064 8.2912 107.9760 44.8266 0.0000 172.6004 70 E 4.5437 8.3142 118.4925 55.1616 30.3190 174.4502 71 H 4.9202 8.0943 117.1832 56.6842 31.3883 172.5816 72 N 4.9956 8.7656 122.2493 52.8812 38.7597 176.1544 73 I 3.7491 8.3163 119.6277 62.0095 38.1021 176.6400 74 D 4.5226 7.6456 121.4277 55.6176 41.2748 176.9753 75 V 4.4679 7.9195 111.1203 58.9925 34.3767 174.8456 76 L 4.4462 8.3766 124.7867 54.8722 42.7576 176.4468 77 E 4.5639 9.6151 125.7604 55.7028 29.9637 177.0031 78 G 3.9079 8.1419 104.2115 46.6825 0.0000 173.8569 79 N 4.7841 8.0181 116.0090 53.1715 39.0197 173.7480 80 E 4.9010 7.7596 114.9757 54.5416 32.2086 175.1772 81 Q 4.5318 8.7646 120.6387 54.2173 31.8837 174.5064 82 F 5.5498 8.7719 123.0039 55.9957 40.8875 175.1930 83 I 4.6993 8.5595 124.4330 59.2520 40.8845 175.1102 84 N 4.8238 8.7571 123.2871 52.9298 39.9247 174.2295 85 A 4.2443 8.2939 123.9497 52.3124 18.5644 177.1615 86 A 4.4189 9.1994 124.1542 52.7152 20.9314 177.6820 87 K 4.5858 7.7404 114.2519 54.5620 35.4801 175.5522 88 I 4.9050 8.6041 125.2658 59.7945 39.5634 175.2241 89 I 4.6045 8.8599 129.5928 59.4799 39.3845 175.5909 90 T 4.4550 8.4417 117.7388 61.0411 70.1465 174.1355 91 H 4.1619 9.0350 124.4974 55.8856 30.2440 174.2814 92 P 4.2309 0.0000 0.0000 65.7885 30.9380 176.5769 93 N 4.8258 8.3244 113.2055 52.5185 38.7128 174.5251 94 F 4.5349 8.3789 122.0452 58.5487 39.9632 173.9007 95 N 4.4322 8.5100 126.6144 51.2158 39.8782 175.5158 96 G 3.4076 7.9519 115.3810 48.1759 0.0000 173.9391 97 N 4.4642 8.2447 117.1872 55.6695 38.8253 176.3076 98 T 4.1920 7.9149 104.6280 60.8835 69.6012 174.4489 99 L 3.8402 7.7004 120.9031 55.7460 40.0399 174.2518 100 D 4.4482 7.5284 115.9645 55.0554 42.0760 175.2691 101 N 4.1983 8.5764 119.1234 54.5686 36.1808 176.2002 102 D 4.7633 7.8063 117.0156 53.0932 39.9165 175.0723 103 I 4.8722 7.4743 121.2092 59.3708 42.3797 172.7041 104 M 5.2389 8.7598 125.8443 54.1651 36.3209 173.1899 105 L 5.3164 8.9912 124.5427 53.0763 45.1007 175.2908 106 I 4.9344 9.1379 124.7831 59.4030 40.0952 174.2866 107 K 3.9779 8.6089 128.8823 54.2856 34.0550 175.3951 108 L 4.6755 8.4488 128.2278 54.2996 42.7318 177.8996 109 S 4.4562 8.8090 116.9449 59.9517 63.2759 174.3375 110 S 4.5937 7.4019 114.0986 56.7214 67.0445 172.4981 111 P 4.6800 0.0000 0.0000 62.2390 31.7704 176.2532 112 A 4.2130 8.7502 126.7812 52.3175 19.1901 176.9718 113 T 4.1878 8.9193 117.6461 61.2671 68.0152 174.2920 114 L 4.5565 8.5375 129.9648 54.1907 43.1926 175.8937 115 N 4.8395 8.4216 122.2491 52.0417 39.3328 175.1382 116 S 4.2520 8.8703 110.6774 62.0098 63.6197 175.9041 117 R 4.1678 8.3905 119.9598 57.5350 30.1284 176.3128 118 V 4.4161 7.6891 116.4565 60.8780 34.0768 173.8399 119 A 4.8507 8.5226 127.2979 51.2311 23.2830 174.8111 120 T 4.8164 8.5025 115.7915 63.1601 70.0976 175.0324 121 V 4.1751 8.5272 125.9248 61.9710 33.2235 175.1351 122 S 4.7347 8.1455 119.5676 56.6144 64.4901 174.6530 123 L 4.2343 8.1046 123.5483 53.5257 42.2204 175.2346 124 P 4.3196 0.0000 0.0000 62.6350 31.7088 177.2364 125 R 3.8098 8.5674 123.4601 58.8677 30.3910 175.8894 *127 S 4.4309 7.5072 109.8029 58.1408 64.0621 173.4040 128 C 4.5581 8.3725 116.5522 56.0254 40.9148 173.8033 129 A 4.2347 8.3455 124.6119 52.1027 18.9404 176.8752 130 A 4.4453 8.2527 122.6146 50.1382 21.3118 176.1256 *132 A 4.3063 8.4291 123.7569 53.8797 19.3160 174.7903 133 G 3.5291 8.9400 116.5389 46.5016 0.0000 174.1519 134 T 3.8376 7.7568 117.9328 63.8743 69.3928 173.1505 135 E 4.6294 8.7816 127.0105 56.2075 30.8968 175.8925 136 C 5.1724 9.5812 122.6342 55.1953 45.5365 172.2848 137 L 5.2690 8.4823 121.6222 53.6603 43.5015 175.4891 138 I 4.6837 8.7842 127.7304 60.1360 39.7404 174.8888 139 S 4.8735 7.8481 117.9118 57.0987 65.9385 173.2241 140 G 3.7336 7.8937 108.4057 45.9485 0.0000 173.1673 141 W 4.5841 8.9146 117.4461 56.3436 29.4959 177.0660 142 G 4.1817 7.9348 107.7943 43.5643 0.0000 173.2996 143 N 4.1484 8.6255 116.7318 53.3552 39.0864 174.1447 144 T 4.8770 7.9516 110.9022 60.1815 69.5735 173.6411 145 K 4.5556 7.8677 121.5218 54.5840 34.8033 176.2661 146 S 4.1372 8.9163 119.1318 60.4175 63.1996 173.9233 147 S 4.4412 7.7513 116.0068 58.5573 62.4185 171.0485 148 G 3.8904 8.2232 113.8695 43.9109 0.0000 170.6334 149 S 4.7787 8.3064 113.6998 57.2324 66.0040 173.7701 150 S 4.7071 9.4596 118.8447 56.5325 65.8766 171.9433 151 Y 5.0013 8.6781 124.0230 55.4905 39.8293 173.8631 152 P 4.6161 0.0000 0.0000 62.4276 32.8577 176.7012 153 S 4.3707 8.7504 116.2894 61.0975 63.3096 174.3001 154 L 5.2913 7.5925 118.2007 52.1566 43.2868 176.7306 155 L 3.1976 8.6286 124.2456 55.7791 43.0077 175.7068 156 Q 4.8724 8.3083 124.9458 54.6284 31.2826 174.0333 157 C 5.1966 8.5976 118.9690 55.2468 42.4562 172.8720 158 L 4.7718 8.3036 121.6878 53.9839 45.6230 174.1562 159 K 5.1612 8.7772 125.3348 55.2175 33.7370 175.6731 160 A 4.7931 8.7965 125.1193 50.2321 23.2340 173.7048 161 P 5.1392 0.0000 0.0000 61.7541 34.2612 175.0877 162 V 4.2332 8.4787 114.6544 61.1197 32.6576 176.4324 163 L 4.8494 8.6677 126.0890 53.5402 43.3353 176.7841 164 S 4.3569 8.4277 114.9300 57.8492 64.1638 174.7354 165 D 4.5037 8.8707 122.0337 57.8161 40.7167 179.0241 166 S 4.1226 8.0507 115.0330 61.7782 62.8377 176.6963 167 S 4.3206 8.1815 119.2621 61.1003 62.6692 175.9049 168 C 4.3269 8.7309 121.5431 59.7142 43.1934 175.8969 169 K 4.0285 8.4187 119.3346 59.5224 31.8645 179.3254 170 S 4.2356 8.3297 114.3153 61.3345 62.5522 176.3246 171 A 4.1543 8.1634 123.8006 53.5540 18.7473 177.0751 172 Y 4.7004 7.8209 114.4562 56.0516 39.3703 171.5840 173 P 4.7086 0.0000 0.0000 62.4803 32.7044 177.1885 174 G 4.0310 8.9400 109.9278 45.7673 0.0000 173.8129 175 Q 4.4044 7.6021 115.7493 56.0264 30.7174 175.7340 176 I 4.1418 7.6965 118.9137 60.2062 37.6459 175.4228 177 T 4.4273 8.1968 117.6895 60.6983 71.1064 175.0849 178 G 4.0377 8.5410 112.6051 46.1761 0.0000 173.6843 179 N 5.0354 7.9195 114.8600 52.5933 39.3216 174.1370 180 M 4.8539 7.9079 117.0987 53.3790 35.6555 174.5560 181 I 4.6871 8.2052 115.6494 59.2779 40.8566 175.2417 182 C 4.8410 8.6760 121.3847 55.9284 42.0347 172.6770 183 V 4.7554 9.2581 122.7614 60.4867 34.2358 175.4745 184 G 3.4617 8.2310 115.3491 45.2539 0.0000 172.9483 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 16 I 7.88 4.04 1.78 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 1.21 1.36 0.84 0.00 0.00 17 V 8.32 4.00 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 0.93 0.00 0.00 18 G 8.94 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 19 G 7.95 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 0.00 0.00 0.00 0.00 20 Y 7.73 4.92 0.00 3.04 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 21 T 8.51 4.44 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 1.23 0.00 0.00 22 C 8.94 4.33 0.00 2.71 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 23 A 8.32 4.01 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 24 A 8.50 3.76 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 25 N 8.45 4.27 0.00 2.85 2.90 0.00 0.00 6.91 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 26 S 7.68 4.34 0.00 3.90 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 27 V 7.08 4.01 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 0.50 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.45 0.00 2.36 2.42 0.00 3.61 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 2.13 1.98 0.00 29 Y 6.55 5.01 0.00 3.26 3.44 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 30 Q 7.22 4.53 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 1.82 2.43 0.00 31 V 9.27 4.69 2.23 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 0.90 0.00 0.00 1.00 0.00 0.00 32 S 8.66 5.15 0.00 3.47 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 33 L 8.44 4.56 0.00 0.36 1.02 0.80 0.25 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 34 N 8.91 5.73 0.00 2.49 2.56 0.00 0.00 6.78 7.22 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 *37 S 8.31 4.31 0.00 3.95 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 38 G 8.81 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 0.00 0.00 0.00 0.00 39 S 7.67 4.48 0.00 3.92 3.88 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 40 H 8.67 4.26 0.00 2.89 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.04 4.84 0.00 3.04 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 42 C 6.52 4.71 0.00 2.37 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 43 G 7.92 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 44 G 8.16 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 45 S 8.42 5.56 0.00 3.80 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 46 L 9.12 4.71 0.00 1.84 1.85 1.02 0.74 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 47 I 8.52 4.22 1.89 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 1.47 1.04 0.92 0.00 0.00 48 N 7.83 5.05 0.00 2.95 3.01 0.00 0.00 6.49 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.71 4.26 0.00 4.17 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 50 Q 8.19 4.44 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 51 W 8.06 5.41 0.00 3.28 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 52 V 9.23 5.04 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 1.16 0.00 0.00 0.97 0.00 0.00 53 V 8.50 4.83 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 0.76 0.00 0.00 0.94 0.00 0.00 54 S 9.02 4.78 0.00 3.86 3.69 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 55 A 8.44 4.93 1.13 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 0.00 0.00 56 A 8.29 3.71 0.21 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 57 H 8.07 4.66 0.00 3.39 3.62 0.00 5.55 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.01 4.79 0.00 3.21 3.42 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 59 Y 7.63 4.18 0.00 2.97 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 60 K 7.56 4.36 0.00 1.53 1.33 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.71 7.81 61 S 8.01 3.83 0.00 3.91 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 62 R 8.56 3.75 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 63 I 7.72 4.80 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.95 0.00 0.00 64 Q 8.99 4.80 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 65 V 8.69 4.23 2.18 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 0.89 0.00 0.00 0.90 0.00 0.00 66 R 8.59 5.05 0.00 1.56 1.54 0.00 2.21 0.00 0.00 2.60 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 67 L 9.04 4.73 0.00 1.79 1.64 0.96 0.89 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 *69 G 8.29 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.24 2.42 0.00 78 G 8.14 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 79 N 8.02 4.78 0.00 2.83 2.76 0.00 0.00 7.03 7.74 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 80 E 7.76 4.90 0.00 1.63 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 2.50 2.63 0.00 81 Q 8.76 4.53 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 82 F 8.77 5.55 0.00 2.76 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 I 8.56 4.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.95 0.00 0.00 84 N 8.76 4.82 0.00 2.70 2.70 0.00 0.00 7.04 7.33 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 85 A 8.29 4.24 1.23 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 0.00 0.00 0.00 86 A 9.20 4.42 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 87 K 7.74 4.59 0.00 1.53 1.75 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.35 7.81 88 I 8.60 4.91 2.06 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 1.30 0.49 1.12 0.00 0.00 89 I 8.86 4.60 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.95 0.00 0.00 90 T 8.44 4.46 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 1.06 0.00 0.00 91 H 9.04 4.16 0.00 3.33 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.23 0.00 2.22 2.18 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 93 N 8.32 4.83 0.00 2.77 2.89 0.00 0.00 6.83 7.45 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 94 F 8.38 4.53 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 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111 P 0.00 4.68 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 112 A 8.75 4.21 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 0.00 113 T 8.92 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 114 L 8.54 4.56 0.00 1.70 1.62 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.42 4.84 0.00 2.84 2.87 0.00 0.00 6.33 8.33 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 0.00 116 S 8.87 4.25 0.00 4.02 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 0.00 117 R 8.39 4.17 0.00 2.03 2.02 0.00 3.24 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 118 V 7.69 4.42 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 1.02 0.00 0.00 0.95 0.00 0.00 119 A 8.52 4.85 1.29 0.00 0.00 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146 S 8.92 4.14 0.00 3.97 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 0.00 147 S 7.75 4.44 0.00 3.81 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 0.00 148 G 8.22 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 0.00 0.00 0.00 149 S 8.31 4.78 0.00 3.89 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 0.00 150 S 9.46 4.71 0.00 3.80 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 0.00 151 Y 8.68 5.00 0.00 2.90 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 0.00 152 P 0.00 4.62 0.00 2.42 2.07 0.00 4.11 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 153 S 8.75 4.37 0.00 3.97 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 0.00 154 L 7.59 5.29 0.00 1.58 1.62 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.63 3.20 0.00 1.43 1.35 -0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.31 4.87 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 157 C 8.60 5.20 0.00 1.35 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 0.00 0.00 0.00 158 L 8.30 4.77 0.00 1.66 1.36 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.78 5.16 0.00 1.74 1.77 0.00 2.01 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.49 7.81 160 A 8.80 4.79 1.21 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 0.00 161 P 0.00 5.14 0.00 2.13 2.19 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 162 V 8.48 4.23 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 0.68 0.00 0.00 0.96 0.00 0.00 163 L 8.67 4.85 0.00 1.60 1.62 0.95 1.12 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 0.00 164 S 8.43 4.36 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 0.00 165 D 8.87 4.50 0.00 2.82 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 0.00 166 S 8.05 4.12 0.00 3.91 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 0.00 167 S 8.18 4.32 0.00 3.95 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 0.00 168 C 8.73 4.33 0.00 3.09 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 0.00 169 K 8.42 4.03 0.00 1.79 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.73 7.81 170 S 8.33 4.24 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.16 4.15 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 0.00 172 Y 7.82 4.70 0.00 3.05 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 0.00 173 P 0.00 4.71 0.00 2.06 1.99 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.35 0.00 174 G 8.94 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 0.00 175 Q 7.60 4.40 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 176 I 7.70 4.14 1.90 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 1.77 1.03 0.93 0.00 0.00 177 T 8.20 4.43 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 0.00 178 G 8.54 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 0.00 179 N 7.92 5.04 0.00 2.77 2.78 0.00 0.00 6.64 8.59 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 0.00 180 M 7.91 4.85 0.00 1.92 1.90 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 2.48 2.49 0.00 181 I 8.21 4.69 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 1.35 0.68 0.92 0.00 0.00 182 C 8.68 4.84 0.00 2.95 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 0.00 183 V 9.26 4.76 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 0.84 0.00 0.00 0.94 0.00 0.00 184 G 8.23 3.46 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 0.00 * Residues marked with a * may have inaccurate shift predictions.