NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4744 8.1749 117.4039 63.3803 69.9358 173.1997 4 T 3.9017 8.4058 120.2930 62.6488 69.1058 172.9907 5 N 4.6400 10.7268 127.3926 51.9555 39.4863 174.7742 6 H 4.1705 8.5747 123.7886 58.5546 29.0580 177.1558 7 D 4.4695 8.3376 118.6968 56.6709 40.8254 176.0419 8 H 5.2271 7.9937 115.5944 54.7580 30.9909 174.1381 9 H 4.9198 9.1686 119.1776 54.7190 33.8741 171.8677 10 I 4.8386 8.0067 124.5131 59.6212 40.1148 174.0650 11 Y 4.8803 9.3344 124.8396 56.1821 40.8194 174.8772 12 V 4.4240 8.6974 125.8679 61.4848 33.1380 174.8101 13 L 5.0423 9.1216 130.3285 54.5418 42.8280 176.2302 14 M 5.7952 9.3330 121.0598 52.3733 35.0773 174.0703 15 G 4.6744 8.1179 103.8896 42.9183 0.0000 173.9038 16 V 3.8016 7.9570 113.7589 60.2928 32.2594 176.0405 17 S 4.2353 9.0074 117.0240 60.4143 62.3063 174.7984 18 G 4.0246 9.1278 115.7299 45.4022 0.0000 173.6467 19 S 4.4497 7.9299 113.5775 57.8856 63.3835 174.4264 20 G 3.8892 8.1199 108.5255 47.2873 0.0000 176.5386 21 K 3.9328 8.3303 120.3139 59.3572 32.1221 178.8368 22 S 4.2163 8.1225 114.4392 61.5982 62.9823 176.4127 23 A 3.9595 7.9771 122.8228 55.1623 18.0696 179.6929 24 V 3.4105 7.8094 116.3058 66.0647 31.6406 177.9639 25 A 3.6609 8.0505 120.8220 55.1348 18.0887 179.7163 26 S 3.6012 7.8640 113.7836 61.5303 62.9130 176.6593 27 E 3.8291 7.8305 121.4146 59.1584 29.3496 178.8064 28 V 3.4608 7.8710 118.3277 65.9738 31.4726 177.6008 29 A 3.9266 8.0920 120.7546 55.5263 18.0408 179.0385 30 H 4.0083 8.0955 116.4768 59.6561 29.7423 177.5353 31 Q 3.8994 7.9980 118.4665 58.2758 28.5784 177.7554 32 L 4.3857 7.8417 117.1395 53.5154 42.3404 176.0006 33 H 3.9424 7.4131 114.9156 56.7688 26.9263 174.3423 34 A 4.7842 7.9344 118.7883 50.3052 21.2550 178.1271 35 A 4.3546 8.6521 121.1287 52.0782 19.9776 176.7553 36 F 5.6290 8.5438 121.3099 56.6667 42.8179 173.4117 37 L 4.1887 9.1304 127.8517 52.9752 45.1247 174.9285 38 D 4.4753 7.8503 126.5038 52.9364 40.8292 176.5423 39 G 3.7315 8.5451 115.5891 48.1177 0.0000 173.7831 40 D 4.5413 8.2847 120.6782 57.1449 40.5688 178.1835 41 F 4.9857 7.8549 116.3933 58.6792 39.2008 175.8491 42 L 4.6501 7.9973 117.7043 54.4525 42.1782 176.5226 43 H 4.1326 7.6605 115.7217 55.4113 29.2371 174.2376 44 P 4.4269 0.0000 0.0000 62.6415 33.2698 176.9073 45 R 3.8083 8.6889 119.6777 60.0851 29.7601 178.4351 46 R 3.9074 8.0995 114.7758 59.9659 29.1190 178.2065 47 N 4.2772 7.9807 116.2849 55.9990 38.3473 177.3236 48 I 3.7663 7.7021 120.5661 64.1052 37.1915 177.9956 49 E 4.1066 7.7701 118.9368 59.3594 29.2804 179.0350 50 K 4.3210 8.1581 118.1701 58.8683 32.5801 178.1385 51 M 3.4138 7.6670 127.5432 54.6320 28.8638 174.7214 *56 P 4.2272 0.0000 0.0000 61.4044 31.8162 176.6914 57 L 4.1196 7.9881 121.1098 55.0587 42.7408 177.0632 58 N 4.9745 10.9700 118.7905 51.2334 40.9182 175.7657 59 D 4.6633 8.5189 120.6675 57.2383 40.6416 178.6945 60 D 4.4280 8.1476 116.5447 57.0499 41.3182 177.5174 61 D 4.5179 9.6184 119.4768 57.5890 41.1743 178.7625 62 R 4.2912 7.8856 117.3175 58.2910 30.0499 178.2079 63 K 3.7838 7.8918 119.8541 59.5849 32.0801 176.6288 64 P 4.3151 0.0000 0.0000 65.5334 31.1881 178.2240 65 W 4.2136 8.1570 127.7115 60.4788 30.6934 177.9174 66 L 3.5288 8.2843 119.3248 57.4438 40.8563 179.2960 67 Q 3.8694 8.1297 119.6046 58.9975 28.9776 178.0818 68 A 3.9611 7.9986 121.8811 55.1687 18.3442 179.6685 69 L 3.9083 7.7847 117.5883 57.5508 41.5720 179.2110 70 N 4.2080 8.3396 117.5027 56.7642 38.8457 176.6689 71 D 4.3647 8.2985 120.1865 57.2842 40.9496 178.5599 72 A 3.9525 8.4402 121.4007 55.2125 18.3905 179.3980 73 A 3.9118 8.1493 119.3763 55.2387 18.1633 179.5910 74 F 3.9651 8.0469 117.7629 61.3746 39.6845 176.7783 75 A 4.0079 8.2820 120.5057 55.5796 18.0609 179.5252 76 M 3.9883 8.5089 117.6891 58.3748 31.8365 178.5668 77 Q 4.1225 7.7451 115.6628 57.9631 29.0016 178.1232 78 R 3.9972 7.3902 120.8256 58.5533 30.1916 177.1938 79 T 4.5506 7.6101 104.2030 60.9183 69.7854 173.0042 80 N 4.9334 7.6190 119.8681 51.2733 41.5954 174.3887 81 K 4.0144 8.7331 122.5873 58.8928 33.4904 177.0009 82 V 4.9085 7.7600 119.1018 61.1066 34.7014 174.3517 83 S 5.2801 9.1776 123.1498 56.7014 66.8017 172.8252 84 L 5.4153 8.9331 123.5725 53.0710 44.6301 175.4666 85 I 5.0707 8.7575 124.1465 59.4684 40.8534 174.6193 86 V 4.5630 8.7299 127.3475 62.2241 33.2497 174.5851 87 C 4.8829 9.0609 127.8876 58.4461 34.7697 174.1635 88 S 4.3811 9.9347 121.7669 58.6930 63.8097 174.7761 89 A 4.0890 8.1600 121.9630 52.8751 16.1780 178.1200 90 L 3.8622 8.0919 122.7274 57.4876 42.7154 178.2728 91 K 4.5387 6.9582 115.2145 54.3280 33.6758 177.3533 92 K 3.6893 9.0041 123.7375 60.0997 31.9909 178.8455 93 H 4.1810 7.9748 117.8272 59.3288 29.3816 176.7690 94 Y 4.3542 7.7339 118.8294 60.9722 37.6566 178.4903 95 R 4.0482 7.8374 118.5191 59.4744 30.1186 178.4982 96 D 4.4123 8.2657 118.8301 57.4866 40.5444 179.0647 97 L 3.9657 7.7550 118.4803 57.8756 41.7169 179.3129 98 L 4.1019 7.6842 117.7113 57.7784 41.7427 179.5233 99 R 4.2030 8.2959 118.2010 57.6334 29.7782 176.5312 100 E 3.8805 7.4371 117.9162 57.9451 29.6513 177.1547 101 G 3.9381 8.9927 110.6632 46.2434 0.0000 173.5747 102 N 5.0549 8.4766 116.4808 50.7313 38.8138 173.5146 103 P 4.4037 0.0000 0.0000 65.1379 32.3745 176.5691 104 N 4.8042 7.8571 115.6859 53.4147 37.9813 174.5545 105 L 4.8880 7.4068 119.3478 54.3265 45.3250 175.2374 106 S 4.8891 8.7009 119.0267 56.8665 67.4756 172.2575 107 F 5.1871 9.3593 118.6225 55.7552 41.9725 175.1625 108 I 4.9693 9.0434 123.8840 59.7775 39.6333 174.4753 109 Y 4.9758 9.3869 130.9921 56.7750 39.4913 174.8866 110 L 4.5574 8.9324 128.8630 54.3151 41.8474 176.1653 111 K 4.0501 8.7401 126.8296 54.3268 34.0154 175.2901 112 G 4.5594 8.3452 112.5710 45.1530 0.0000 172.2710 113 D 4.8439 8.6968 120.5159 53.3090 42.1801 177.3838 114 F 3.7290 8.7428 122.9645 61.7780 39.0293 177.2789 115 D 4.4566 8.1859 118.0066 56.3173 39.1931 178.4629 116 V 3.5525 7.7312 119.1645 65.9109 31.5387 178.0001 117 I 3.7099 7.6422 119.1741 64.1878 36.9062 177.8598 118 E 3.7022 8.2497 120.8680 59.3736 29.4209 179.1385 119 S 4.1510 8.1724 114.1929 61.3701 62.9924 176.4998 120 R 3.8820 7.7362 122.2149 59.1083 29.6183 178.4677 121 L 3.9869 7.9659 118.1077 57.8706 41.7462 179.4957 122 K 4.0697 8.2798 117.1666 59.1217 31.9499 178.8121 123 A 4.1633 7.5851 120.0339 53.5814 18.8859 178.1671 124 R 3.8699 7.5902 114.7521 57.2804 30.9045 178.1408 125 K 4.6658 7.6276 120.7722 58.8419 34.3433 176.2554 *130 K 4.2082 7.9314 118.1081 56.9985 34.2563 179.6735 131 T 3.5065 7.1157 113.9351 65.6657 68.9397 174.8241 132 Q 4.0395 7.8876 119.8703 59.4670 28.6060 177.6681 133 M 4.0301 8.6714 119.5829 58.5761 32.1590 177.9362 134 L 4.2603 7.9748 119.9762 58.1429 42.3663 178.8269 135 V 3.9321 7.9526 117.7074 66.5714 31.4749 178.0915 136 T 3.9225 8.2954 115.5630 66.6876 68.2893 176.2229 137 Q 4.0355 9.3209 120.5749 59.5379 28.6184 179.8085 138 F 4.0657 8.4295 116.8412 60.5520 39.0034 177.3767 139 E 4.2075 8.2203 117.6311 59.6933 29.3023 179.1984 140 T 4.0676 7.9438 115.1833 65.2091 68.8602 175.2892 141 L 4.0685 7.4044 122.9422 55.4738 42.7241 176.9955 142 Q 4.4949 8.5128 125.7164 53.6444 30.0367 175.0039 143 E 3.7870 8.6947 123.5677 55.6202 30.1473 175.6316 144 P 4.6111 0.0000 0.0000 62.5487 32.1874 176.2622 145 G 4.0905 7.7600 108.3722 43.8650 0.0000 173.7747 146 A 4.1707 8.4452 121.1292 54.3341 18.4873 178.8255 147 D 4.3497 8.0315 114.6338 55.3346 40.1265 176.1852 148 E 4.3429 8.0775 120.5918 55.3066 28.5943 176.2820 149 T 4.4565 8.3581 113.4125 61.8661 69.6932 174.9028 150 D 5.1146 7.8757 122.5521 53.6022 40.5489 175.6393 151 V 4.9590 8.0484 118.9728 62.3774 33.8658 174.2457 152 L 4.9266 9.3431 128.2612 53.0191 44.5614 175.5106 153 V 4.8723 8.4013 121.7312 61.1311 33.9297 174.7661 154 V 4.4186 8.5568 127.0563 60.9447 34.7479 173.7248 155 D 5.0436 8.6707 127.7046 53.8493 41.2420 175.8074 156 I 3.9999 8.4571 119.7313 60.9807 38.3262 176.2473 157 D 4.6962 7.9897 124.8989 52.5264 39.5468 175.2567 158 Q 4.5891 7.5102 115.5404 53.2102 31.7651 173.2255 159 P 4.2246 0.0000 0.0000 62.2058 33.5479 176.8956 160 L 3.9317 8.6298 122.1332 58.6621 41.8105 179.4376 161 E 4.0537 8.2331 116.8733 59.4249 29.4394 179.1935 162 G 3.5313 7.9997 106.2114 47.4074 0.0000 175.7612 163 V 3.5576 7.7969 120.6165 65.6257 31.4852 178.1344 164 V 3.4893 8.0773 118.1701 66.2208 31.3806 177.9806 165 A 3.9519 8.2658 120.5316 55.1189 18.1440 179.8186 166 S 4.0840 8.5003 114.3731 61.9689 62.8536 177.0100 167 T 3.8298 8.1554 118.7607 66.5413 68.0796 176.8247 168 I 3.5744 7.8963 121.9529 64.1857 37.0382 178.0031 169 E 3.8399 8.0922 120.0795 59.4352 29.2835 178.9019 170 V 3.5585 7.5646 116.7111 66.2824 31.5168 177.7219 171 I 3.4558 7.3149 118.5894 63.6943 36.8612 177.9314 172 K 4.2032 8.3007 119.3446 58.0683 31.9085 178.9404 173 K 4.0029 8.2001 119.3800 59.4872 32.1225 176.8875 174 G 3.7517 7.5896 111.3562 45.5130 0.0000 173.2373 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 T 8.17 4.47 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 1.25 0.00 0.00 4 T 8.41 3.90 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 1.07 0.00 0.00 5 N 10.73 4.64 0.00 2.43 2.54 0.00 0.00 7.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.57 4.17 0.00 3.16 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.34 4.47 0.00 2.73 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 8 H 7.99 5.23 0.00 3.11 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 9.17 4.92 0.00 3.16 2.98 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.01 4.84 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.77 0.00 0.00 11 Y 9.33 4.88 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.70 4.42 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 0.97 0.00 0.00 0.56 0.00 0.00 13 L 9.12 5.04 0.00 1.68 1.65 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 M 9.33 5.80 0.00 2.27 2.42 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 15 G 8.12 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.71 0.00 0.00 17 S 9.01 4.24 0.00 3.86 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 18 G 9.13 4.02 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 0.00 0.00 0.00 19 S 7.93 4.45 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 21 K 8.33 3.93 0.00 1.87 1.94 0.00 1.98 0.00 0.00 2.10 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.59 7.81 22 S 8.12 4.22 0.00 3.93 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 23 A 7.98 3.96 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 24 V 7.81 3.41 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 1.03 0.00 0.00 0.95 0.00 0.00 25 A 8.05 3.66 0.69 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 0.00 0.00 26 S 7.86 3.60 0.00 3.75 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 27 E 7.83 3.83 0.00 2.06 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 2.27 2.32 0.00 28 V 7.87 3.46 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 0.91 0.00 0.00 0.89 0.00 0.00 29 A 8.09 3.93 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 30 H 8.10 4.01 0.00 3.21 3.41 0.00 5.59 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 31 Q 8.00 3.90 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 32 L 7.84 4.39 0.00 1.57 1.67 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.41 3.94 0.00 3.19 3.34 0.00 5.83 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 34 A 7.93 4.78 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 35 A 8.65 4.35 1.27 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 36 F 8.54 5.63 0.00 2.89 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 37 L 9.13 4.19 0.00 1.59 1.34 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.85 4.48 0.00 2.13 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 39 G 8.55 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 40 D 8.28 4.54 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.85 4.99 0.00 3.07 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 L 8.00 4.65 0.00 1.83 1.82 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.66 4.13 0.00 3.06 3.09 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.43 0.00 2.17 2.02 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 45 R 8.69 3.81 0.00 1.92 1.94 0.00 3.25 0.00 0.00 3.39 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 46 R 8.10 3.91 0.00 2.06 2.21 0.00 3.03 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 47 N 7.98 4.28 0.00 2.97 2.68 0.00 0.00 7.14 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 48 I 7.70 3.77 2.01 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 1.50 0.47 0.89 0.00 0.00 49 E 7.77 4.11 0.00 2.10 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 2.56 2.48 0.00 50 K 8.16 4.32 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.58 7.81 51 M 7.67 3.41 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.96 0.00 *56 P 0.00 4.23 0.00 2.09 2.09 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 57 L 7.99 4.12 0.00 1.60 1.60 0.68 1.10 0.00 0.00 0.00 0.00 0.00 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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 75 A 8.28 4.01 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.51 3.99 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 77 Q 7.75 4.12 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 78 R 7.39 4.00 0.00 1.74 1.91 0.00 2.87 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.00 79 T 7.61 4.55 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 1.17 0.00 0.00 80 N 7.62 4.93 0.00 2.73 2.84 0.00 0.00 6.93 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 81 K 8.73 4.01 0.00 1.69 1.87 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.41 7.81 82 V 7.76 4.91 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 1.02 0.00 0.00 83 S 9.18 5.28 0.00 3.75 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 84 L 8.93 5.42 0.00 1.80 1.64 0.85 0.64 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 85 I 8.76 5.07 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.82 0.00 0.00 86 V 8.73 4.56 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 0.99 0.00 0.00 1.22 0.00 0.00 87 C 9.06 4.88 0.00 2.83 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 88 S 9.93 4.38 0.00 4.10 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 89 A 8.16 4.09 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 90 L 8.09 3.86 0.00 1.78 1.69 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 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2.02 0.00 3.38 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.14 0.00 100 E 7.44 3.88 0.00 1.98 1.92 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 2.35 2.58 0.00 101 G 8.99 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 0.00 102 N 8.48 5.05 0.00 2.86 2.65 0.00 0.00 7.03 8.68 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 0.00 103 P 0.00 4.40 0.00 2.10 2.15 0.00 3.66 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 2.08 2.12 0.00 104 N 7.86 4.80 0.00 2.80 2.97 0.00 0.00 5.67 6.67 0.00 0.00 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 L 7.41 4.89 0.00 1.46 1.58 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.70 4.89 0.00 4.12 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 0.00 107 F 9.36 5.19 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 0.00 108 I 9.04 4.97 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.95 0.00 0.00 109 Y 9.39 4.98 0.00 2.99 2.97 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 0.00 110 L 8.93 4.56 0.00 1.78 1.65 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.74 4.05 0.00 0.79 1.31 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.18 1.09 7.81 112 G 8.35 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.84 0.00 2.79 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 0.00 114 F 8.74 3.73 0.00 2.50 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 0.00 115 D 8.19 4.46 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 0.00 137 Q 9.32 4.04 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 138 F 8.43 4.07 0.00 3.30 3.23 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 0.00 139 E 8.22 4.21 0.00 2.18 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 2.39 2.43 0.00 140 T 7.94 4.07 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 141 L 7.40 4.07 0.00 1.52 1.69 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.51 4.49 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 143 E 8.69 3.79 0.00 1.90 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 2.39 2.43 0.00 144 P 0.00 4.61 0.00 2.01 1.91 0.00 3.39 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 145 G 7.76 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 0.00 146 A 8.45 4.17 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 0.00 147 D 8.03 4.35 0.00 2.79 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 0.00 148 E 8.08 4.34 0.00 2.03 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 2.19 2.17 0.00 149 T 8.36 4.46 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 1.23 0.00 0.00 150 D 7.88 5.11 0.00 2.82 2.97 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 0.00 151 V 8.05 4.96 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 0.96 0.00 0.00 0.92 0.00 0.00 152 L 9.34 4.93 0.00 1.67 1.59 1.07 0.64 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 0.00 153 V 8.40 4.87 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 0.65 0.00 0.00 1.06 0.00 0.00 154 V 8.56 4.42 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 0.91 0.00 0.00 0.91 0.00 0.00 155 D 8.67 5.04 0.00 2.69 2.54 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 0.00 156 I 8.46 4.00 1.86 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 1.21 0.72 0.88 0.00 0.00 157 D 7.99 4.70 0.00 2.64 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 0.00 158 Q 7.51 4.59 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 159 P 0.00 4.22 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 160 L 8.63 3.93 0.00 1.73 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.23 4.05 0.00 2.18 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 0.00 2.35 2.31 0.00 162 G 8.00 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 0.00 0.00 0.00 163 V 7.80 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 164 V 8.08 3.49 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 0.98 0.00 0.00 0.95 0.00 0.00 165 A 8.27 3.95 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 0.00 166 S 8.50 4.08 0.00 3.92 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 0.00 167 T 8.16 3.83 4.31 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 1.11 0.00 0.00 168 I 7.90 3.57 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.86 0.00 0.00 169 E 8.09 3.84 0.00 2.02 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 2.29 2.30 0.00 170 V 7.56 3.56 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 0.84 0.00 0.00 0.93 0.00 0.00 171 I 7.31 3.46 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.25 0.62 0.00 0.00 172 K 8.30 4.20 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.38 7.81 173 K 8.20 4.00 0.00 1.88 2.14 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 174 G 7.59 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.