NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7194 8.4244 119.4601 52.2554 41.2459 174.2936 5 Q 4.9444 7.0738 121.4255 55.5360 31.9673 170.7924 6 A 5.1331 8.8360 126.2540 50.5222 23.6526 174.6996 7 I 5.0412 8.6929 120.5987 59.6679 41.9925 174.2922 8 I 5.0248 8.6539 126.7750 59.7168 39.9453 174.7661 9 S 4.9968 9.1533 120.8700 56.8580 65.9484 172.7982 10 V 4.5437 8.6315 125.8596 61.2478 35.4088 173.4642 11 F 5.3944 8.6288 125.1973 56.1102 40.5812 174.9537 12 I 4.8002 9.1951 125.3345 60.0299 39.8547 175.2984 13 H 5.0177 10.3334 124.7831 54.3444 30.8302 176.2998 14 E 3.9824 9.0261 119.0863 60.2096 29.2998 179.4594 15 T 4.0196 7.9115 113.1299 66.1171 68.7593 174.7569 16 E 4.2080 7.7357 120.1281 55.9461 30.3588 177.1669 17 D 4.6682 8.3605 121.0685 53.0131 40.9189 176.1493 18 Y 4.1009 8.5141 127.5180 60.7380 38.8646 177.5164 19 N 4.1574 8.2362 116.6412 56.0462 38.7727 176.9139 20 K 3.8336 9.2230 121.8778 59.7384 32.2364 178.8124 21 I 3.6600 7.5938 119.6517 64.2437 37.0357 178.4110 22 V 3.4971 7.4288 118.9553 66.1728 31.2280 177.7071 23 N 4.3011 8.3761 116.3148 56.6229 38.4288 177.3221 24 T 3.8419 7.9031 116.9132 66.8601 68.6590 176.6380 25 I 3.8225 8.2241 121.6571 64.6546 36.9939 178.5504 26 E 4.0115 8.6196 118.1494 58.8923 29.4028 179.2238 27 S 4.2620 8.3979 113.8175 61.2283 62.4630 175.5999 28 F 3.6304 8.4125 122.6553 60.8140 39.2932 175.7930 29 F 4.8022 8.2079 116.8605 57.0433 39.0645 175.2814 30 S 4.6445 8.4813 116.7344 57.7627 62.8384 172.1121 31 P 4.7776 0.0000 0.0000 62.5881 32.0224 176.7146 32 L 4.0332 8.1362 122.2114 58.8113 41.9368 178.5203 33 I 3.8982 8.1706 117.7657 63.5081 37.5995 177.3429 34 S 4.2579 7.9799 112.8280 60.8797 62.3305 174.5522 35 N 4.7013 8.2787 117.6864 52.7933 38.8894 174.9921 36 S 4.4012 6.8034 115.3701 56.9819 65.1489 173.7684 37 K 4.1628 8.1515 122.2743 55.6373 32.7559 175.3417 38 K 4.4941 8.4349 129.0635 55.1668 33.9005 175.2481 39 N 5.0288 8.7039 123.0790 51.4993 43.0878 173.5575 40 V 4.8653 8.2716 121.4168 61.6160 34.5718 174.5502 41 T 4.9010 9.1208 123.6192 61.9068 73.1471 172.7786 42 T 4.9875 8.5349 113.6008 59.9735 71.1660 172.9652 43 A 4.9058 8.3297 127.2043 50.1988 22.6743 174.4068 44 Q 5.2950 7.5285 114.5133 57.0236 30.6944 174.8238 45 G 3.9487 8.4837 110.0101 45.5561 0.0000 173.4162 46 H 4.3297 8.2704 116.8004 56.3179 29.3373 174.7958 47 Y 4.9023 7.1592 117.3654 57.7696 38.4145 175.4159 48 G 3.9272 8.1747 102.2657 46.8856 0.0000 174.5923 49 N 4.9470 7.9115 118.3141 50.9255 38.0428 172.8056 50 K 4.9292 8.9793 125.5199 55.8437 33.5997 175.9547 51 I 4.5878 8.6720 124.7294 59.1790 41.3545 173.9618 52 I 5.0234 8.7816 128.2624 59.5611 40.4699 174.5081 53 I 4.8395 9.2823 127.9176 59.6928 39.4860 174.1505 54 L 5.0419 8.8087 130.2751 53.3715 44.0830 175.0900 55 E 5.7918 9.1672 124.5900 53.8344 34.4496 174.2120 56 Y 4.8345 8.1983 118.1682 56.3909 42.4947 173.9702 57 R 4.8211 8.7439 124.7820 54.4372 33.0959 174.4380 58 F 5.0891 8.8662 124.4532 55.5082 42.0912 175.3875 59 D 4.9635 8.7270 123.3030 52.0495 40.5393 177.1934 60 R 3.9133 8.7646 115.4448 59.6680 29.1557 178.6600 61 K 3.7219 8.3330 116.6549 58.9608 32.3180 178.2637 62 S 4.8024 8.5687 112.7479 58.5918 63.4504 176.2891 63 G 3.7310 8.4387 112.7029 48.6516 0.0000 176.1472 64 E 4.1335 7.8942 120.8349 60.7562 29.8617 181.5702 65 Q 4.2230 8.1106 118.4150 58.3759 28.7212 178.6194 66 F 4.0377 8.1691 122.1743 60.9075 39.2814 177.0115 67 F 4.1825 8.0993 120.1964 61.1938 39.2389 176.6294 68 K 3.5391 8.2754 119.5791 59.8105 31.9166 178.4594 69 I 3.9535 7.6142 119.6845 63.4756 37.7065 177.9418 70 I 3.6966 7.4648 120.9637 64.2549 36.7008 178.3607 71 L 3.9240 7.7482 119.0967 57.3339 41.5645 178.4926 72 E 4.2553 8.0773 116.5199 56.7830 29.4388 177.8507 73 K 4.1963 7.0999 117.4727 57.0490 34.4431 176.9892 74 I 3.8860 7.7645 118.7803 60.3622 38.7033 175.8946 75 E 4.2213 8.5206 125.0884 56.3655 31.5089 177.9817 76 T 3.8542 8.4856 117.9078 67.2235 68.5727 176.0407 77 S 4.1545 8.1091 113.3734 61.9518 62.3791 175.6419 78 E 4.1655 8.0751 120.4220 59.1593 29.5660 178.7772 79 L 4.0478 7.6213 116.7759 55.9734 41.5907 177.9870 *81 L 4.2721 7.8500 120.3461 54.8059 43.5394 178.0160 82 I 3.9265 7.6120 119.6566 64.0009 37.5631 177.5810 83 L 4.1308 8.1614 121.4446 58.7476 41.7424 178.7916 84 T 3.9082 8.0006 112.5018 65.8920 68.5211 172.9297 85 T 4.5320 8.3573 117.8853 61.4937 71.8273 173.8951 *88 S 4.3516 8.3987 114.7314 58.5779 64.5680 173.7820 89 H 4.9812 7.9389 117.6181 55.6101 28.8547 173.7563 90 I 5.0677 7.5235 119.6462 59.6247 40.0115 174.9245 91 D 4.5125 8.8685 123.4901 53.9889 44.0992 175.2766 92 G 4.0884 8.5082 118.7049 47.1365 0.0000 173.1956 93 S 4.8963 8.8882 120.1283 57.3404 63.8942 171.3465 94 K 5.0917 8.0241 118.6852 55.5102 35.0554 174.7054 95 L 5.1399 9.0911 125.8195 53.9606 44.0241 174.4419 96 Y 4.6616 9.5929 125.1835 56.5532 39.4009 175.3491 97 L 4.4314 8.9964 126.5225 52.8239 44.0357 176.1528 98 R 4.6335 8.1123 122.1576 54.9019 30.9241 175.6977 99 F 5.1530 8.8678 123.4307 55.8023 41.7438 174.8626 100 D 4.7666 8.9760 121.6943 54.1492 41.6843 177.1731 101 K 3.9937 9.1220 126.1582 59.7340 32.2094 178.8671 102 Q 3.9149 8.1906 117.6395 59.5732 28.7029 178.6940 103 Y 4.1207 9.2902 118.3499 60.9983 37.8570 178.8091 104 L 3.8996 7.8401 121.4107 57.9902 42.0584 178.9084 105 I 3.8032 7.6326 111.3258 63.0066 37.7764 176.5659 106 A 4.4555 7.9633 122.3004 53.3192 19.6216 177.7196 107 E 4.6971 8.2272 111.9993 55.7414 31.9662 175.1242 108 H 4.1117 8.2139 114.5203 57.0236 26.9619 175.0769 109 R 4.4842 7.6237 116.5014 54.3239 32.8455 174.1997 110 L 4.0293 8.4542 125.4921 54.1278 41.3593 176.3104 111 V 4.3652 8.1976 124.2374 60.4884 34.0292 174.6848 112 L 4.3943 8.9367 127.8414 55.7113 42.1486 176.3846 113 K 4.7270 8.8298 122.3369 55.2691 35.9586 174.8975 114 E 4.5646 8.8932 121.9427 55.5448 31.6877 176.3939 115 G 3.8633 8.2085 107.2246 44.9853 0.0000 172.6256 116 D 4.8136 8.3652 115.9710 54.5440 42.4651 176.9558 117 D 4.8365 7.9157 120.8542 52.6007 39.6604 173.7331 118 V 4.5714 7.0888 113.4961 60.2781 37.2315 175.5465 119 I 4.2308 8.8333 122.8598 60.4182 37.7732 175.2756 120 K 4.7257 9.0434 130.4306 55.6147 33.7724 175.1117 121 C 5.3264 9.4175 125.7248 58.3454 30.9725 172.9673 122 I 4.5492 8.8082 126.4576 59.6064 38.8585 174.9386 123 I 4.5909 8.3610 128.6496 59.5403 39.5350 174.9091 124 S 4.9466 8.2807 122.3215 56.8069 64.5720 173.7576 125 F 4.8749 9.0953 123.5910 55.0754 41.8246 174.6883 126 N 5.1710 8.5242 116.3690 53.2507 39.1472 174.6561 127 T 4.6909 7.7236 108.6375 60.6433 72.5607 175.2234 128 S 3.7323 8.1589 117.3990 60.1408 61.0450 172.2079 *131 N 4.5552 9.2813 129.6526 55.3994 40.0974 177.1956 132 I 3.2132 7.7131 118.5853 63.3801 35.2712 179.7084 133 K 3.8948 8.1101 127.4867 60.6429 31.1065 181.5793 134 E 4.0447 8.1389 117.1631 60.7573 30.2748 181.8938 135 E 4.1682 7.9751 119.3811 59.3564 29.0184 179.5169 136 I 3.7915 7.9006 113.1760 63.5247 37.1423 178.1921 137 K 4.0641 8.1059 123.4654 60.1062 32.1776 179.3733 138 K 4.1684 8.4242 124.2682 59.5207 31.3952 180.7296 139 L 4.0907 7.7053 119.8642 58.1544 42.2611 178.8533 140 V 3.5561 8.9268 118.6226 66.1806 31.2041 177.3791 141 N 4.2674 9.0629 115.6456 56.7147 38.8424 176.3258 142 S 4.1795 8.0320 113.5748 61.4841 62.5959 175.6836 143 R 4.1201 8.4636 122.3790 60.1968 30.0421 177.8555 144 I 4.0160 7.3917 121.7914 62.5044 35.6066 177.2905 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 N 8.42 4.72 0.00 2.69 3.00 0.00 0.00 6.83 6.19 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 5 Q 7.07 4.94 0.00 2.25 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.54 0.00 6 A 8.84 5.13 1.10 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 0.00 0.00 7 I 8.69 5.04 1.79 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 1.16 0.71 0.90 0.00 0.00 8 I 8.65 5.02 2.01 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.39 1.03 0.00 0.00 9 S 9.15 5.00 0.00 3.74 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 10 V 8.63 4.54 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 1.10 0.00 0.00 1.04 0.00 0.00 11 F 8.63 5.39 0.00 3.02 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 12 I 9.20 4.80 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 1.14 0.00 0.00 13 H 10.33 5.02 0.00 3.07 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.03 3.98 0.00 1.99 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 2.34 2.53 0.00 15 T 7.91 4.02 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 16 E 7.74 4.21 0.00 2.25 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 2.41 2.34 0.00 17 D 8.36 4.67 0.00 2.74 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 18 Y 8.51 4.10 0.00 3.16 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 19 N 8.24 4.16 0.00 2.81 2.87 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.22 3.83 0.00 2.14 1.96 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.65 7.81 21 I 7.59 3.66 1.91 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 1.41 0.55 0.91 0.00 0.00 22 V 7.43 3.50 1.98 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 1.07 0.00 0.00 0.13 0.00 0.00 23 N 8.38 4.30 0.00 2.74 2.86 0.00 0.00 7.11 6.60 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 24 T 7.90 3.84 4.36 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 1.11 0.00 0.00 25 I 8.22 3.82 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.23 0.95 0.00 0.00 26 E 8.62 4.01 0.00 1.92 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 2.33 2.60 0.00 27 S 8.40 4.26 0.00 3.90 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 28 F 8.41 3.63 0.00 2.89 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 29 F 8.21 4.80 0.00 3.46 3.19 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 30 S 8.48 4.64 0.00 3.98 3.96 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 0.00 0.00 0.00 31 P 0.00 4.78 0.00 2.28 2.26 0.00 3.78 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 2.02 1.94 0.00 32 L 8.14 4.03 0.00 1.90 2.06 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.17 3.90 2.16 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 1.00 0.00 0.00 34 S 7.98 4.26 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 35 N 8.28 4.70 0.00 2.81 2.86 0.00 0.00 6.97 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 36 S 6.80 4.40 0.00 3.27 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 37 K 8.15 4.16 0.00 1.80 1.60 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.30 7.81 38 K 8.43 4.49 0.00 1.65 1.55 0.00 2.01 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 0.71 7.81 39 N 8.70 5.03 0.00 2.44 2.52 0.00 0.00 6.30 7.24 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 40 V 8.27 4.87 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 0.82 0.00 0.00 0.96 0.00 0.00 41 T 9.12 4.90 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 1.20 0.00 0.00 42 T 8.53 4.99 4.19 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 1.13 0.00 0.00 43 A 8.33 4.91 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 44 Q 7.53 5.29 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 45 G 8.48 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 0.00 0.00 0.00 46 H 8.27 4.33 0.00 1.83 2.84 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.16 4.90 0.00 2.96 2.89 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 48 G 8.17 3.93 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 0.00 0.00 0.00 49 N 7.91 4.95 0.00 2.86 3.02 0.00 0.00 6.09 6.75 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 50 K 8.98 4.93 0.00 1.65 1.75 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 51 I 8.67 4.59 1.81 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 1.07 1.39 0.89 0.00 0.00 52 I 8.78 5.02 2.04 0.00 0.00 0.50 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 0.76 0.97 0.00 0.00 53 I 9.28 4.84 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.96 0.00 0.00 54 L 8.81 5.04 0.00 1.87 1.56 0.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.17 5.79 0.00 1.69 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 56 Y 8.20 4.83 0.00 2.62 2.31 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 57 R 8.74 4.82 0.00 1.71 1.60 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 58 F 8.87 5.09 0.00 2.90 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 59 D 8.73 4.96 0.00 2.91 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 60 R 8.76 3.91 0.00 2.02 2.26 0.00 3.00 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 61 K 8.33 3.72 0.00 1.99 1.98 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.52 7.81 62 S 8.57 4.80 0.00 4.12 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 0.00 63 G 8.44 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 64 E 7.89 4.13 0.00 1.91 1.98 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 2.25 2.23 0.00 65 Q 8.11 4.22 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 66 F 8.17 4.04 0.00 2.18 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 67 F 8.10 4.18 0.00 3.02 3.19 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 68 K 8.28 3.54 0.00 2.01 1.89 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.35 7.81 69 I 7.61 3.95 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 1.04 0.00 0.00 70 I 7.46 3.70 2.07 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.13 1.02 0.00 0.00 71 L 7.75 3.92 0.00 1.55 1.53 0.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.08 4.26 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 73 K 7.10 4.20 0.00 1.78 1.80 0.00 0.70 0.00 0.00 1.23 0.00 0.00 2.52 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.13 1.20 7.81 74 I 7.76 3.89 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 1.42 0.85 1.02 0.00 0.00 75 E 8.52 4.22 0.00 2.22 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 2.35 2.39 0.00 76 T 8.49 3.85 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 1.20 0.00 0.00 77 S 8.11 4.15 0.00 3.85 3.87 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 78 E 8.08 4.17 0.00 2.03 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 2.42 2.52 0.00 79 L 7.62 4.05 0.00 1.78 1.85 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *81 L 7.85 4.27 0.00 1.81 1.93 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.61 3.93 2.16 0.00 0.00 1.00 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 0.97 1.01 0.00 0.00 83 L 8.16 4.13 0.00 1.60 1.74 0.92 0.93 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 84 T 8.00 3.91 4.37 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 1.21 0.00 0.00 85 T 8.36 4.53 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 0.88 0.00 0.00 *88 S 8.40 4.35 0.00 3.97 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 89 H 7.94 4.98 0.00 3.26 3.56 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.52 5.07 1.91 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 1.40 0.68 0.98 0.00 0.00 91 D 8.87 4.51 0.00 2.68 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 92 G 8.51 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 93 S 8.89 4.90 0.00 3.95 3.87 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 94 K 8.02 5.09 0.00 1.61 1.80 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.65 7.81 95 L 9.09 5.14 0.00 1.93 1.64 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.59 4.66 0.00 2.80 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 97 L 9.00 4.43 0.00 1.47 1.08 1.14 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.11 4.63 0.00 1.81 2.07 0.00 3.10 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 99 F 8.87 5.15 0.00 3.19 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 0.00 100 D 8.98 4.77 0.00 3.16 2.86 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 0.00 101 K 9.12 3.99 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.61 7.81 102 Q 8.19 3.91 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 103 Y 9.29 4.12 0.00 3.05 3.16 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 0.00 104 L 7.84 3.90 0.00 1.55 1.52 -0.28 0.96 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 0.00 105 I 7.63 3.80 1.85 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 1.72 0.78 0.88 0.00 0.00 106 A 7.96 4.46 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 0.00 107 E 8.23 4.70 0.00 2.20 1.98 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 2.29 2.31 0.00 108 H 8.21 4.11 0.00 3.28 3.59 0.00 5.79 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.62 4.48 0.00 1.95 1.82 0.00 3.44 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 110 L 8.45 4.03 0.00 1.57 1.38 0.68 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.20 4.37 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 0.81 0.00 0.00 0.38 0.00 0.00 112 L 8.94 4.39 0.00 1.52 1.56 0.62 0.83 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 0.00 113 K 8.83 4.73 0.00 1.76 1.66 0.00 2.12 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.48 7.81 114 E 8.89 4.56 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 115 G 8.21 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 0.00 116 D 8.37 4.81 0.00 2.81 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 0.00 117 D 7.92 4.84 0.00 2.73 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 0.00 118 V 7.09 4.57 2.34 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 0.78 0.00 0.00 1.09 0.00 0.00 119 I 8.83 4.23 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 1.08 0.00 0.00 120 K 9.04 4.73 0.00 1.84 1.77 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 121 C 9.42 5.33 0.00 3.17 3.16 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 0.00 122 I 8.81 4.55 1.64 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.60 0.20 0.00 0.00 123 I 8.36 4.59 1.42 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 0.68 0.51 -0.32 0.00 0.00 124 S 8.28 4.95 0.00 3.58 3.68 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 0.00 0.00 0.00 0.00 125 F 9.10 4.87 0.00 2.99 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 0.00 126 N 8.52 5.17 0.00 2.79 2.77 0.00 0.00 6.69 7.70 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 0.00 127 T 7.72 4.69 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 1.29 0.00 0.00 128 S 8.16 3.73 0.00 4.25 3.21 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 *131 N 9.28 4.56 0.00 2.72 2.86 0.00 0.00 6.91 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 0.00 132 I 7.71 3.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.91 0.00 0.00 133 K 8.11 3.89 0.00 1.75 1.78 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 134 E 8.14 4.04 0.00 2.08 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 2.25 2.28 0.00 135 E 7.98 4.17 0.00 2.19 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 0.00 2.34 2.36 0.00 136 I 7.90 3.79 1.93 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 1.72 0.84 1.09 0.00 0.00 137 K 8.11 4.06 0.00 1.84 1.93 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 138 K 8.42 4.17 0.00 1.76 1.82 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 139 L 7.71 4.09 0.00 1.73 1.81 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.93 3.56 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 0.94 0.00 0.00 0.97 0.00 0.00 141 N 9.06 4.27 0.00 2.79 3.04 0.00 0.00 7.26 7.51 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 0.00 142 S 8.03 4.18 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.46 4.12 0.00 1.93 2.00 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 144 I 7.39 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.