NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4789 8.1933 115.4129 57.7512 64.1671 174.5944 5 E 3.8011 8.7184 122.0038 58.6104 29.7397 177.9254 6 L 3.7234 8.2292 121.4081 58.0865 43.4591 177.8730 7 E 4.0723 8.3073 118.1218 59.0561 29.7423 179.7271 8 K 4.1456 7.5212 115.8514 57.0276 31.2731 178.6349 *10 L 4.1167 7.8776 120.6075 54.3752 43.3032 177.8153 11 K 4.2574 7.9152 115.4094 55.8139 32.1815 177.2830 12 G 3.9142 8.2565 106.5415 45.2045 0.0000 173.5779 13 E 4.4737 7.9575 119.0715 54.7984 30.9535 175.7190 14 H 4.4814 8.4827 117.7301 55.7629 29.3395 175.1633 15 F 4.9472 7.6553 117.1415 54.9036 41.1477 174.2373 16 D 4.6139 8.7036 121.4033 53.0436 40.1381 177.0983 17 G 4.0757 8.8016 115.6180 47.1984 0.0000 172.4264 18 A 4.6757 8.1977 121.9686 51.7946 19.7541 177.8548 19 S 4.3858 7.9942 112.7735 58.1526 65.0336 175.2371 20 A 3.9920 8.4820 125.0072 55.6045 18.2629 180.0587 21 E 3.9951 8.1531 116.5856 59.5390 29.5605 179.5180 22 I 3.6878 7.7036 119.3878 64.4739 37.2781 178.1902 23 E 4.0763 8.3612 119.2576 59.2839 29.2717 179.2098 24 A 4.0315 8.5274 121.3424 55.0928 18.4238 179.5251 25 L 3.9528 8.0669 118.8550 58.1003 42.1477 178.7465 26 R 4.1625 8.2659 120.1373 59.1305 30.0814 178.5748 27 S 4.1178 8.2377 114.5863 61.5639 62.8035 176.5013 28 Q 3.9475 8.0721 122.0654 59.2055 28.7762 178.2772 29 A 4.0953 8.2441 122.0382 54.8779 18.3969 179.6729 30 G 3.6193 8.3661 104.7098 48.0104 0.0000 175.8891 31 R 3.8628 7.8612 120.7546 59.2589 30.2003 178.7059 32 L 3.9870 7.8604 118.7688 57.2561 41.5469 179.1010 33 K 3.7785 8.3648 120.2514 59.5159 31.8854 178.0930 34 L 3.8971 7.5491 118.9866 58.5649 41.8460 178.6076 35 E 4.1011 8.1914 118.0440 59.3699 29.4988 179.3642 36 I 3.6998 8.2356 120.0488 64.6181 37.1030 178.1399 37 N 4.5857 8.5552 115.2526 54.8831 38.4682 175.4142 38 Q 4.4924 7.4012 118.9925 55.4584 30.4998 175.4000 39 S 4.2357 7.8249 112.2766 59.1424 62.7774 173.4890 40 L 4.4354 8.4549 125.7863 54.6016 41.9790 176.0757 41 D 4.8107 8.2156 119.8777 51.9950 43.1646 175.8052 42 E 3.9096 8.7524 128.1626 59.2180 29.8068 178.3548 43 A 4.0003 7.9220 120.3155 55.2980 18.5141 179.0430 44 E 3.9212 8.5570 117.8122 59.3083 29.6314 179.0188 45 R 3.8404 8.2331 119.1672 59.4085 30.1556 177.9421 46 Y 4.1315 8.3949 120.3509 60.1977 38.7442 177.3358 47 A 3.9519 8.0909 121.7609 55.4686 18.4111 179.6438 48 L 3.9357 8.1237 117.2737 58.1223 41.8081 179.8585 49 Q 3.5675 7.8755 117.7628 58.5691 28.2995 178.6988 50 R 3.9445 7.4746 118.8462 58.6623 30.1224 177.7641 51 E 4.1288 7.2925 116.3920 58.4865 29.3626 178.4050 52 L 3.8982 7.6740 120.5009 57.1687 42.2058 177.0722 53 F 5.1443 7.1716 116.2434 56.5679 40.1116 176.2206 54 G 4.2263 8.5148 110.4499 49.1278 0.0000 173.5878 55 H 5.0169 7.9945 118.2889 54.6046 33.7681 172.4862 56 L 4.5786 7.8820 125.6949 53.5673 44.5949 175.9558 57 G 4.4040 8.6648 114.5786 44.8718 0.0000 171.5450 58 H 4.3857 9.5105 120.3366 57.2296 29.8917 175.4231 59 K 3.8830 8.3543 125.3861 57.5598 29.4391 175.2319 60 S 4.9353 7.6094 113.6325 57.4213 64.7904 173.4967 61 C 4.8405 8.9073 122.3500 57.5867 34.9387 172.9433 62 V 4.3916 8.2131 124.8486 60.8698 33.1610 174.7099 63 Q 4.1960 8.6913 128.6571 55.0810 29.0127 175.1342 64 P 4.6247 0.0000 0.0000 61.5964 32.3292 174.1199 65 P 4.8759 0.0000 0.0000 62.4952 32.5271 175.0575 66 F 4.9284 9.2861 124.1524 56.7388 42.5434 173.7700 67 H 4.9949 8.1036 122.0886 54.0284 31.7982 172.4855 68 C 4.8254 8.3122 116.2381 57.3563 31.9878 174.0375 69 E 3.9208 8.9609 118.8986 58.4571 29.5347 178.6637 70 F 4.7869 8.7108 114.9554 56.4003 41.7128 176.4411 71 G 4.5761 8.8893 113.4374 46.6331 0.0000 176.1948 72 K 4.1907 7.8945 119.3697 58.6960 32.4254 178.4363 73 T 4.2195 8.0323 111.7649 62.6621 68.0377 172.9863 74 I 4.9205 7.9047 122.7583 60.3850 39.6201 174.7046 75 R 5.0825 8.9197 126.0463 54.3707 33.4757 174.7217 76 I 4.7553 8.3695 123.9673 59.2156 41.0044 175.5425 77 G 4.4755 8.4154 118.3548 46.2947 0.0000 171.9184 78 D 5.2097 9.8152 123.0187 53.3595 43.8262 176.6819 79 H 4.3675 8.4813 117.5960 57.3983 27.2504 174.2243 80 T 5.0159 8.0554 115.1972 61.8596 70.9336 173.8635 81 F 5.1798 9.4369 129.0633 56.4022 42.2076 173.8626 82 I 4.7297 7.8943 127.0339 59.3591 39.8436 173.2616 83 N 4.5747 8.9042 129.6368 53.7062 38.8994 175.3718 *85 N 4.7596 9.1142 114.0740 53.0309 41.5367 172.1564 86 V 4.1084 7.9119 117.3542 62.6185 33.1320 175.1257 87 V 5.3431 8.2809 126.6017 60.0037 35.5788 173.6613 *89 L 4.4564 8.2756 119.9721 54.2836 42.8872 177.7818 90 D 5.1659 7.9885 125.0270 52.5537 39.7350 178.0807 91 G 3.7508 8.6664 109.6659 48.7757 0.0000 173.5405 92 A 4.8593 7.4486 119.6856 48.9011 22.5692 174.4045 93 P 5.1141 0.0000 0.0000 62.5152 32.8457 175.5473 94 I 5.0529 8.7393 124.4122 59.8667 39.9920 174.5495 95 T 4.9916 9.0480 124.0620 61.7414 71.6951 173.1957 96 I 4.8341 8.9443 127.2651 59.4933 40.6735 176.1976 97 G 4.2215 8.7559 116.4246 46.6040 0.0000 172.1474 98 D 5.2278 9.6826 121.3538 53.3526 43.8877 176.3253 99 H 4.6879 8.6263 114.6520 55.7853 27.3493 174.5388 100 V 4.5377 7.4001 118.0685 61.8752 33.5441 174.5206 101 L 5.3980 8.9026 126.6930 53.1985 44.7667 175.3598 102 I 5.0832 9.0007 125.3925 59.3294 39.9195 176.0760 103 G 4.2971 9.3712 114.4762 45.1328 0.0000 171.2836 104 P 4.4048 0.0000 0.0000 63.1306 32.6583 177.0371 105 S 4.2623 8.6829 115.0991 58.9831 60.7643 172.6021 106 T 4.4317 7.5444 116.7463 63.6848 69.7432 173.5126 107 Q 5.0973 8.9478 123.5105 54.1363 31.9121 174.6637 108 F 4.7221 9.1002 122.0826 56.0729 41.5238 174.7354 109 Y 5.0291 8.3724 123.4017 56.5287 38.1158 176.0450 110 T 4.3335 9.1241 116.3669 63.6020 70.2378 174.4127 111 A 5.1978 8.0245 123.1779 50.9384 21.0077 175.9647 112 S 4.5156 8.8727 114.3260 57.6391 67.0370 171.5600 113 H 5.2332 8.3848 117.9499 53.7392 32.4454 173.3594 114 S 4.5361 8.5867 113.1508 57.8286 63.0155 174.0578 115 L 4.1246 8.3163 124.5726 56.6269 42.0913 176.7547 116 D 4.5830 8.2410 120.0544 53.2282 40.8337 176.4641 117 Y 4.2895 8.7213 125.7821 59.6199 38.1742 178.3945 118 R 3.6073 7.4372 118.9743 58.0108 30.2392 177.2570 119 R 4.5533 7.7087 115.9829 56.0143 30.3773 176.9139 120 R 4.6567 7.6371 115.2443 55.8895 31.8414 177.4452 121 Q 4.1457 8.2035 116.1203 57.7823 29.0023 176.4178 122 A 4.3739 8.1913 119.7528 50.8632 19.0289 176.6239 123 W 3.7569 8.1373 115.8368 58.5686 27.1698 174.9441 124 E 4.1367 8.2757 116.3935 56.9363 29.6893 176.9166 125 T 4.9266 7.9893 118.0663 62.1181 72.8732 173.0572 126 I 4.5882 8.6192 126.5755 59.7649 39.5110 174.2111 127 C 5.3928 8.8490 124.1999 57.9572 30.7937 172.9855 128 K 4.8784 8.9920 123.1101 53.5605 35.5669 174.5877 129 P 4.9655 0.0000 0.0000 62.6439 32.8347 174.8834 130 I 4.8019 8.4150 122.1837 59.6500 40.3217 174.4709 131 V 4.8117 8.6647 125.8214 61.1617 34.5407 174.0036 132 I 4.8404 9.4937 129.6771 59.6154 39.5376 175.7730 133 E 4.7045 8.6975 127.3684 55.3857 31.0593 176.2829 134 D 4.5800 8.5827 119.7361 55.4584 42.2404 177.0419 135 D 4.6108 8.9104 119.0106 54.8584 39.3117 173.4684 136 V 4.4555 7.5843 119.2109 61.9998 33.4597 174.3614 137 W 5.4697 9.1306 135.0000 55.9190 32.9433 174.1385 138 I 4.6246 9.4932 129.0548 59.3656 39.1008 176.3524 139 G 3.9734 8.2256 114.8889 45.4127 0.0000 173.1146 140 G 3.8644 8.6396 106.4043 46.2195 0.0000 173.2817 141 N 4.5442 8.8010 117.5715 54.3425 38.1899 174.0233 142 V 4.3682 7.4799 115.0929 61.6558 33.6020 174.4591 143 V 4.4923 8.4155 125.3942 60.9890 34.3889 174.2926 144 I 4.4775 7.7582 127.9206 59.5214 39.5949 175.4175 145 N 5.1456 8.8446 125.8744 51.9525 40.5937 174.6611 146 Q 4.2416 8.5667 117.9065 57.6724 29.1554 177.2963 147 G 3.9064 8.3935 107.7674 45.7047 0.0000 173.7339 148 V 4.2716 7.1300 120.0720 62.3452 33.3375 174.7934 149 T 5.1560 9.0349 123.2019 61.8699 71.8214 172.8157 150 I 4.5378 8.5013 127.5298 59.2946 39.1160 175.7645 151 G 4.0659 9.0666 115.2123 45.8121 0.0000 172.6560 152 A 4.3053 8.7564 124.7464 52.9436 19.3648 178.6373 153 R 4.4387 8.7195 118.3921 57.0490 28.4898 176.3771 154 S 4.8201 7.6238 114.7909 57.8214 65.1278 173.2298 155 V 4.6129 9.2400 122.4404 61.1599 34.7634 174.2417 156 V 4.7393 8.5324 127.7791 60.7484 33.4889 174.8880 157 A 4.2253 8.7047 129.9805 51.3140 19.5867 176.7498 158 A 3.9532 8.2505 123.3080 53.6901 18.9402 177.4658 159 N 4.9809 8.3539 118.3794 54.3982 38.3012 174.5168 160 S 4.5558 7.5366 112.8929 58.3379 64.7408 173.2868 161 V 4.4675 8.4725 121.6086 61.2563 34.1449 174.4485 162 V 4.4086 8.6935 129.3071 61.8621 32.2095 175.8567 163 N 4.7781 8.9152 125.0268 53.4157 39.6875 174.2462 164 Q 4.6615 7.5255 114.5902 54.1734 32.0436 174.1106 165 D 4.6719 8.7521 119.1816 55.1325 41.8045 176.3670 166 V 4.4493 8.5311 121.8310 60.0793 33.7226 173.2050 167 P 4.7041 0.0000 0.0000 62.4783 31.5122 174.4060 168 P 4.4956 0.0000 0.0000 62.8067 32.0868 175.3270 169 D 4.6591 8.6167 118.1389 55.0135 38.7966 173.6494 170 T 5.0016 7.3117 113.6419 61.7846 73.8215 174.2575 171 L 4.9742 8.9914 128.0117 53.9191 43.5058 175.5860 172 V 4.9118 8.7212 120.1358 59.9712 35.3924 175.0143 173 G 4.2519 9.0602 108.3607 46.1167 0.0000 173.3368 174 G 4.1628 9.1504 106.2425 44.9358 0.0000 172.5863 175 T 4.8919 7.7937 114.3357 60.5624 70.6228 172.6868 176 P 4.6641 0.0000 0.0000 62.3432 32.1693 176.2605 177 A 4.2933 8.9665 124.2694 52.4532 19.0928 177.2336 178 R 4.6934 9.0466 119.5976 53.8619 34.7281 175.0789 179 I 3.8858 8.4766 122.8517 62.3175 36.9242 175.5732 180 L 4.6103 8.6594 127.5006 56.1747 43.4608 176.6927 181 R 4.4569 7.3815 112.1708 55.4320 32.2614 173.9119 182 S 4.7446 8.6794 114.7922 58.0016 63.1982 173.6676 183 L 4.5508 8.5705 124.9766 54.6638 42.0332 177.2063 184 K 4.1581 8.1264 119.0943 56.6803 32.7158 176.7680 185 D 4.5415 8.4402 118.9786 54.6335 41.0109 176.7631 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 4 S 8.19 4.48 0.00 4.01 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 5 E 8.72 3.80 0.00 2.18 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 2.60 2.43 0.00 6 L 8.23 3.72 0.00 1.47 1.63 0.74 0.86 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 7 E 8.31 4.07 0.00 2.01 1.95 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 2.29 2.40 0.00 8 K 7.52 4.15 0.00 1.89 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.44 7.81 *10 L 7.88 4.12 0.00 1.77 1.70 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.92 4.26 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.47 7.81 12 G 8.26 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 13 E 7.96 4.47 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 14 H 8.48 4.48 0.00 3.14 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.66 4.95 0.00 3.21 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 16 D 8.70 4.61 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 17 G 8.80 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 18 A 8.20 4.68 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 19 S 7.99 4.39 0.00 4.13 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 0.00 20 A 8.48 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.15 4.00 0.00 2.01 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 2.40 2.40 0.00 22 I 7.70 3.69 2.09 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 1.44 0.60 1.20 0.00 0.00 23 E 8.36 4.08 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 24 A 8.53 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.07 3.95 0.00 1.84 1.80 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.27 4.16 0.00 2.05 2.30 0.00 3.26 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 27 S 8.24 4.12 0.00 4.13 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 28 Q 8.07 3.95 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 29 A 8.24 4.10 1.48 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 30 G 8.37 3.62 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 0.00 0.00 0.00 31 R 7.86 3.86 0.00 1.92 2.08 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 32 L 7.86 3.99 0.00 1.68 1.58 0.87 0.77 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 33 K 8.36 3.78 0.00 2.05 1.89 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 34 L 7.55 3.90 0.00 1.81 1.69 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.19 4.10 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 36 I 8.24 3.70 1.99 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.87 0.00 0.00 37 N 8.56 4.59 0.00 2.71 2.89 0.00 0.00 6.91 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 38 Q 7.40 4.49 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 39 S 7.82 4.24 0.00 3.98 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 L 8.45 4.44 0.00 1.67 1.67 0.93 0.98 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 41 D 8.22 4.81 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 3.91 0.00 2.08 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 2.39 2.40 0.00 43 A 7.92 4.00 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 44 E 8.56 3.92 0.00 2.20 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 2.31 2.36 0.00 45 R 8.23 3.84 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 46 Y 8.39 4.13 0.00 3.12 2.92 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 47 A 8.09 3.95 1.42 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 0.00 0.00 48 L 8.12 3.94 0.00 1.97 1.62 0.98 1.24 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 49 Q 7.88 3.57 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.09 2.32 0.00 50 R 7.47 3.94 0.00 1.65 1.80 0.00 2.61 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 51 E 7.29 4.13 0.00 2.11 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 2.28 2.37 0.00 52 L 7.67 3.90 0.00 1.42 1.07 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.17 5.14 0.00 3.07 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 54 G 8.51 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 55 H 7.99 5.02 0.00 3.16 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.88 4.58 0.00 1.59 1.32 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.66 4.40 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 66 F 9.29 4.93 0.00 2.92 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 67 H 8.10 4.99 0.00 2.90 3.00 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.31 4.83 0.00 3.12 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 69 E 8.96 3.92 0.00 1.84 1.12 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 2.10 2.17 0.00 70 F 8.71 4.79 0.00 3.02 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 71 G 8.89 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.89 4.19 0.00 1.84 1.91 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.40 7.81 73 T 8.03 4.22 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 1.41 0.00 0.00 74 I 7.90 4.92 2.17 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.55 0.00 0.00 75 R 8.92 5.08 0.00 1.68 1.77 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 76 I 8.37 4.76 1.62 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.77 0.00 0.00 77 G 8.42 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 78 D 9.82 5.21 0.00 2.67 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 79 H 8.48 4.37 0.00 3.22 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.06 5.02 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 1.24 0.00 0.00 81 F 9.44 5.18 0.00 3.11 2.82 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 82 I 7.89 4.73 1.61 0.00 0.00 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0.00 2.98 2.82 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 0.00 110 T 9.12 4.33 4.46 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 1.43 0.00 0.00 111 A 8.02 5.20 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 0.00 112 S 8.87 4.52 0.00 3.96 3.67 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 0.00 113 H 8.38 5.23 0.00 3.04 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.59 4.54 0.00 3.86 3.77 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 0.00 0.00 0.00 0.00 115 L 8.32 4.12 0.00 1.70 1.74 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.24 4.58 0.00 2.74 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 0.00 117 Y 8.72 4.29 0.00 3.27 3.24 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 0.00 118 R 7.44 3.61 0.00 1.57 1.74 0.00 2.94 0.00 0.00 3.03 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 119 R 7.71 4.55 0.00 1.89 1.90 0.00 3.09 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 120 R 7.64 4.66 0.00 2.05 1.94 0.00 3.08 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 121 Q 8.20 4.15 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 122 A 8.19 4.37 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.14 3.76 0.00 3.43 3.17 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 0.00 124 E 8.28 4.14 0.00 2.09 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 2.15 2.32 0.00 125 T 7.99 4.93 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 1.36 0.00 0.00 126 I 8.62 4.59 1.89 0.00 0.00 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 1.20 0.93 0.93 0.00 0.00 127 C 8.85 5.39 0.00 2.89 2.92 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 0.00 128 K 8.99 4.88 0.00 1.57 1.68 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 129 P 0.00 4.97 0.00 2.14 2.19 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.85 0.00 130 I 8.42 4.80 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 1.06 0.00 0.00 131 V 8.66 4.81 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 1.01 0.00 0.00 0.95 0.00 0.00 132 I 9.49 4.84 1.97 0.00 0.00 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 1.36 0.84 1.01 0.00 0.00 133 E 8.70 4.70 0.00 1.98 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 2.37 2.48 0.00 134 D 8.58 4.58 0.00 2.64 2.64 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 0.00 135 D 8.91 4.61 0.00 2.92 2.80 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 0.00 136 V 7.58 4.46 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 1.03 0.00 0.00 1.11 0.00 0.00 137 W 9.13 5.47 0.00 3.44 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 0.00 138 I 9.49 4.62 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 1.18 0.74 0.92 0.00 0.00 139 G 8.23 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.64 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.80 4.54 0.00 3.00 2.84 0.00 0.00 7.01 7.32 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 0.00 142 V 7.48 4.37 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 0.79 0.00 0.00 0.97 0.00 0.00 143 V 8.42 4.49 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 0.88 0.00 0.00 0.88 0.00 0.00 144 I 7.76 4.48 0.97 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.62 0.00 0.00 145 N 8.84 5.15 0.00 2.80 2.80 0.00 0.00 6.34 7.85 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 0.00 146 Q 8.57 4.24 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.92 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 147 G 8.39 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 0.00 148 V 7.13 4.27 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 0.89 0.00 0.00 1.06 0.00 0.00 149 T 9.03 5.16 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 1.23 0.00 0.00 150 I 8.50 4.54 1.89 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 1.13 0.47 0.93 0.00 0.00 151 G 9.07 4.07 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 0.00 0.00 0.00 152 A 8.76 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.72 4.44 0.00 2.25 2.10 0.00 3.16 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 154 S 7.62 4.82 0.00 3.79 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 0.00 155 V 9.24 4.61 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 0.40 0.00 0.00 1.10 0.00 0.00 156 V 8.53 4.74 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 0.78 0.00 0.00 0.87 0.00 0.00 157 A 8.70 4.23 1.15 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 0.00 158 A 8.25 3.95 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 0.00 159 N 8.35 4.98 0.00 2.78 2.92 0.00 0.00 7.19 8.05 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 0.00 160 S 7.54 4.56 0.00 3.69 3.83 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 0.00 161 V 8.47 4.47 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 0.93 0.00 0.00 0.91 0.00 0.00 162 V 8.69 4.41 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 0.95 0.00 0.00 0.83 0.00 0.00 163 N 8.92 4.78 0.00 2.73 2.83 0.00 0.00 6.94 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 0.00 164 Q 7.53 4.66 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 165 D 8.75 4.67 0.00 2.58 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 0.00 166 V 8.53 4.45 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 1.07 0.00 0.00 0.90 0.00 0.00 167 P 0.00 4.70 0.00 2.11 2.06 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 168 P 0.00 4.50 0.00 2.11 2.12 0.00 3.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 169 D 8.62 4.66 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.31 5.00 4.39 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 1.20 0.00 0.00 171 L 8.99 4.97 0.00 1.71 1.67 0.83 0.73 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 0.00 172 V 8.72 4.91 2.04 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 0.64 0.00 0.00 0.87 0.00 0.00 173 G 9.06 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 0.00 0.00 0.00 0.00 174 G 9.15 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.79 4.89 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 0.00 176 P 0.00 4.66 0.00 2.06 2.22 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 177 A 8.97 4.29 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 0.00 178 R 9.05 4.69 0.00 1.61 1.75 0.00 3.29 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 179 I 8.48 3.89 1.86 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 1.33 0.45 0.92 0.00 0.00 180 L 8.66 4.61 0.00 1.56 1.67 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.38 4.46 0.00 1.82 1.96 0.00 2.96 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 182 S 8.68 4.74 0.00 3.91 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 0.00 183 L 8.57 4.55 0.00 1.58 1.71 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.13 4.16 0.00 1.76 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.42 7.81 185 D 8.44 4.54 0.00 2.65 2.56 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 * Residues marked with a * may have inaccurate shift predictions.