NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3311 8.4449 120.2264 54.9685 30.8236 178.7953 2 P 4.3495 0.0000 0.0000 62.3575 31.6940 173.3228 3 T 4.7276 9.6051 113.4702 60.4208 73.4442 173.7048 4 M 4.5538 8.0818 119.3327 55.4718 33.4945 175.1060 5 Y 4.6675 6.7392 115.0408 56.5672 40.6460 172.5974 6 G 3.5982 6.7258 105.9908 46.1880 0.0000 171.6929 7 E 4.8164 8.6838 119.9475 54.0653 32.8302 174.9258 8 I 4.1536 8.1064 125.8382 59.2955 40.6887 174.2475 9 L 4.3100 7.8297 126.5546 51.9696 44.5590 176.8038 10 S 4.0430 7.1502 118.0256 57.1541 64.2611 172.0862 11 P 4.4632 0.0000 0.0000 64.4548 31.4631 176.6277 12 N 4.4581 9.0936 118.7479 53.4944 37.7826 172.8584 13 Y 4.2149 7.8083 117.7381 58.4843 39.0934 174.0198 14 P 3.3539 0.0000 0.0000 62.4257 31.4176 175.7189 15 Q 4.2740 7.8903 119.7969 54.4503 30.3972 174.4046 16 A 5.0344 8.5203 120.5812 52.1375 18.5659 177.5232 17 Y 4.8064 8.1428 120.0742 55.7187 39.1530 173.9372 18 P 4.6738 0.0000 0.0000 62.7951 32.4722 176.1318 19 S 4.5770 8.7035 117.3110 59.1190 64.3924 174.3664 20 E 3.8965 8.2610 120.7750 57.5594 27.0025 174.2860 21 V 4.6753 7.8843 111.3125 59.6897 37.2698 175.8353 22 E 5.0014 8.6100 122.4416 54.5359 32.5984 174.4355 23 K 4.4872 9.2607 127.2407 54.5708 35.9786 174.6373 24 S 5.1715 8.0356 119.3111 56.2586 65.7926 172.9118 25 W 5.0801 9.4647 124.6271 55.0531 33.0485 173.7761 26 D 5.2147 8.9245 123.8033 52.8480 42.2244 175.6331 27 I 4.1598 8.8492 125.2287 59.5880 39.4161 174.5873 28 E 5.1172 8.3721 126.4573 54.7699 33.0078 174.2733 29 V 5.4825 8.4320 119.0961 57.6618 35.4529 173.7468 30 P 4.5521 0.0000 0.0000 62.2445 31.8918 176.2896 31 E 4.0993 8.5298 119.7983 58.0805 30.1194 177.8892 32 G 3.8482 9.4905 110.0786 45.0832 0.0000 172.2848 33 Y 5.1516 7.5507 116.0592 56.3448 42.0927 175.2724 34 G 4.4704 9.3205 109.5283 45.5576 0.0000 171.7090 35 I 5.1998 8.5619 119.5285 59.7546 41.1378 174.3570 36 H 5.3630 9.4634 127.3133 54.6124 31.7704 172.6758 37 L 5.3368 9.2782 129.2161 53.4356 44.3879 174.6390 38 Y 5.5303 8.7057 123.9671 55.4378 41.8839 173.9130 39 F 5.2222 9.7736 121.2641 56.3932 40.9926 176.2526 40 T 4.9443 9.0487 112.5166 61.8748 70.1589 173.7430 41 H 4.9019 8.1389 122.4740 55.3592 33.8329 171.7719 42 L 4.7300 8.4741 127.8191 53.7326 45.0261 174.4767 43 D 5.4475 9.7909 127.4704 52.5280 41.2607 173.5557 44 I 5.1477 8.7585 122.7764 58.2666 42.0962 174.5341 45 E 3.1814 8.3874 124.8719 56.9530 30.5511 175.5134 46 L 4.8670 8.2779 128.2708 53.9330 43.4826 175.7005 47 S 4.7546 8.3859 118.8330 56.4396 66.1600 173.1699 48 E 4.2183 8.8417 121.7823 57.9863 29.6529 176.7122 49 N 4.2456 9.2504 119.8932 54.2154 37.8474 174.3706 50 C 4.3946 8.1089 109.7529 57.4444 38.3763 174.4202 51 A 3.8744 7.8559 122.2005 54.5813 20.0385 178.6689 52 Y 4.8175 7.5621 108.7132 57.2842 36.5172 179.1854 53 D 4.7721 7.2793 124.5258 55.6901 41.6811 174.8392 54 S 4.6982 8.0961 114.5394 57.9201 67.1440 174.2953 55 V 4.7642 8.4471 120.5124 61.2177 33.8475 173.8059 56 Q 4.9816 9.3330 129.6001 54.3431 31.9272 174.0025 57 I 4.7977 8.5929 126.6352 59.5966 39.8511 174.6182 58 I 4.8796 8.9726 128.1659 59.5650 40.2377 176.6474 59 S 4.2759 8.5936 117.9174 58.7399 65.0532 173.9320 *63 E 4.1073 8.0157 120.3117 55.8161 29.8817 174.9898 64 E 4.1486 9.2603 127.3367 58.9408 30.0751 176.7955 65 G 4.2360 7.2227 103.6928 45.9557 0.0000 172.6403 66 R 5.1625 8.5324 115.9892 54.6427 32.2391 174.4065 67 L 4.9576 8.7699 122.7578 53.4880 46.1063 173.2108 68 C 4.9653 8.6196 113.9852 55.8510 43.0065 173.1528 69 G 3.7168 8.5014 106.3070 44.8112 0.0000 171.6404 70 Q 5.2467 8.2152 116.8020 54.0114 30.0735 175.7310 71 R 4.9041 8.9134 119.9940 54.9627 33.3233 174.0382 72 S 5.0400 8.5582 114.2309 56.9716 66.7766 172.6662 73 S 4.7535 8.6151 113.4039 56.7851 64.8045 173.1256 74 N 4.6915 8.5957 122.0323 52.9302 38.8345 174.6257 75 N 4.4060 8.0664 118.8879 52.7078 39.0639 172.7998 76 P 4.3128 0.0000 0.0000 65.4644 31.3547 176.7204 77 H 4.8343 8.1404 111.9082 55.4182 30.8224 173.9200 78 S 4.5702 8.5814 114.0756 56.1201 62.2750 172.1511 79 P 4.3980 0.0000 0.0000 62.7740 31.9468 176.8358 80 I 4.8546 8.1936 123.6940 59.9830 40.2236 175.1717 81 V 4.2188 8.8067 119.3462 62.4297 32.8284 176.2127 82 E 4.9025 7.9185 117.5357 55.1864 33.8493 174.0148 83 E 5.3608 8.0287 119.0766 55.6122 32.7890 174.1234 84 F 4.9424 9.6733 118.7917 55.9191 43.8981 173.6584 85 Q 5.0289 8.9414 122.5991 54.6145 31.3666 174.5796 86 V 4.3372 8.7907 120.2795 58.5115 35.0524 174.6023 87 P 4.5839 0.0000 0.0000 63.0487 31.2982 175.2249 88 Y 4.8860 6.7887 116.5093 56.9399 40.6281 175.2894 89 N 5.1213 8.6911 116.9491 52.8708 38.7596 174.2722 90 K 5.1695 7.9421 117.5570 55.2739 36.2859 175.4785 91 L 4.9009 8.8618 122.2003 53.3995 46.8927 174.5771 92 Q 5.0717 9.2597 122.6937 54.3213 32.2873 174.2485 93 V 4.9807 8.9224 125.3262 61.1939 34.8871 174.1083 94 I 5.1797 9.0350 128.0856 59.5855 40.6433 173.9214 95 F 5.4974 9.8302 129.8345 56.4702 41.9372 174.3511 96 K 4.6271 8.1412 124.6765 54.3703 36.2086 174.9983 97 S 4.9917 8.7740 119.4400 56.4204 65.0197 172.2958 98 D 4.9281 9.5076 127.0948 52.4841 42.0873 177.6321 99 F 3.9382 7.7607 117.4684 58.2628 37.7770 174.1835 100 S 4.6952 8.8075 117.9302 58.9207 64.5486 174.5342 101 N 4.8073 8.4239 124.5617 52.3344 37.0289 175.5279 102 E 3.9951 7.9366 120.0031 58.7767 30.2726 178.1706 103 E 3.8997 7.7826 115.6307 55.7942 29.8627 176.1103 104 R 3.6535 7.2666 116.5637 56.7679 28.2644 176.7610 105 F 4.5690 7.6492 115.5064 58.3031 39.5911 176.1845 106 T 4.6660 9.0920 113.5244 60.6038 70.1838 175.6272 107 G 4.3138 10.3684 112.9231 45.5538 0.0000 175.0239 108 F 6.0789 9.0453 119.1550 56.4423 41.6906 171.9647 109 A 4.5286 8.7840 119.8149 50.0285 22.1410 174.9490 110 A 4.6411 8.3274 122.9397 50.2948 23.2600 174.4651 111 Y 4.7625 8.0845 116.1689 56.1210 42.8070 174.2586 112 Y 5.3373 8.2239 118.6612 55.5795 42.0117 174.5894 113 V 4.9727 9.0036 113.1154 59.5522 36.3881 174.7849 114 A 4.8299 8.9943 127.1566 52.2911 19.1090 177.0181 115 T 4.8225 8.9091 111.3267 59.5536 72.0880 173.0177 116 D 4.5955 8.9387 124.0752 54.5483 42.1265 175.1930 117 I 4.1304 7.8286 126.3027 60.3120 38.5708 175.6641 118 N 4.9580 8.4546 125.0319 51.2056 37.8215 175.0165 119 E 3.8635 8.3056 125.4732 58.9502 29.8387 179.6666 120 C 4.2606 8.0536 116.1882 59.0954 40.2893 174.4285 121 T 4.2174 7.6163 106.8553 61.2302 68.9616 174.0849 122 D 4.3383 7.4765 121.7377 53.1337 44.2012 176.0644 *124 V 3.7868 8.1277 126.2183 62.7721 31.9898 176.8172 125 D 4.5613 7.5843 120.3219 52.1948 40.0826 175.4173 126 V 3.3084 7.7750 120.7957 62.2384 31.7589 174.2163 127 P 4.5857 0.0000 0.0000 63.5478 32.0439 176.3731 128 C 5.3231 7.6588 115.8194 54.9131 43.7167 174.2186 129 S 4.1080 8.9104 117.7279 60.7979 63.5830 174.2656 130 H 4.2385 8.0612 112.7645 54.9998 30.6985 174.2145 131 F 4.9937 5.8421 118.5281 56.6450 41.7630 174.8043 132 C 5.1260 8.8984 123.4250 54.9308 46.8948 172.5632 133 N 4.7434 8.8486 123.4794 51.1905 40.5674 173.3262 134 N 4.9198 8.5610 123.4818 53.3023 40.6867 173.8370 135 F 5.1695 8.4127 118.7269 55.0476 41.4356 173.5413 136 I 4.0294 8.6011 121.8138 63.6255 36.5621 176.7360 137 G 3.6315 10.4517 116.2236 45.0319 0.0000 173.2173 138 G 3.4728 6.3884 108.0733 45.9012 0.0000 171.4711 139 Y 5.0194 7.3675 118.1881 56.3311 40.6065 173.9164 140 F 5.0441 8.9320 114.5325 55.6557 41.8484 172.7359 141 C 5.6066 9.0844 117.3471 55.9192 36.4953 172.8340 142 S 5.0301 9.3306 115.9944 57.2812 66.8783 171.7007 143 C 5.4170 8.7388 116.2509 54.1568 39.1318 172.6128 144 P 4.7777 0.0000 0.0000 61.5944 31.8599 174.0529 145 P 4.3261 0.0000 0.0000 64.4641 31.5936 176.4744 146 E 3.9433 9.1086 118.9189 57.0713 26.9541 173.5679 147 Y 4.9164 7.8787 116.0726 56.0080 41.0057 175.0280 148 F 5.1145 8.3210 117.2121 54.8229 41.5962 173.8502 149 L 4.6590 8.5831 122.3832 54.6667 42.6998 176.2541 150 H 4.8366 9.4206 123.9041 55.8098 29.6721 176.4611 151 D 4.4506 8.9948 119.7137 56.9613 40.7376 177.4836 152 D 4.4684 8.1400 116.8967 53.8620 39.6689 176.6550 153 M 3.3094 8.3572 118.5589 56.0622 30.3890 177.1174 154 K 4.6616 9.0373 118.6120 56.2135 35.9151 175.7571 155 N 5.2529 8.5489 116.5441 51.7033 41.1772 174.8732 156 C 5.0413 8.7248 120.0354 55.9450 43.2566 173.0086 157 G 3.8151 7.7743 107.7387 45.5210 0.0000 171.7464 158 V 4.9404 7.7995 111.6187 59.2741 35.7782 176.2391 159 N 4.6217 8.8416 118.3233 53.7777 38.5895 175.4310 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 1 E 8.44 4.33 0.00 1.98 1.17 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 2.22 2.34 0.00 2 P 0.00 4.35 0.00 2.13 1.99 0.00 3.63 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 2.05 2.38 0.00 3 T 9.61 4.73 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 1.24 0.00 0.00 4 M 8.08 4.55 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 5 Y 6.74 4.67 0.00 2.79 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 6 G 6.73 3.60 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 0.00 0.00 0.00 7 E 8.68 4.82 0.00 1.96 1.68 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 1.74 1.47 0.00 8 I 8.11 4.15 1.35 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 0.85 0.49 -0.55 0.00 0.00 9 L 7.83 4.31 0.00 1.21 0.97 0.82 0.03 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 10 S 7.15 4.04 0.00 3.26 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 11 P 0.00 4.46 0.00 2.36 2.32 0.00 3.44 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 12 N 9.09 4.46 0.00 3.09 3.17 0.00 0.00 6.82 7.56 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 13 Y 7.81 4.21 0.00 2.94 2.77 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 14 P 0.00 3.35 0.00 1.71 1.11 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 15 Q 7.89 4.27 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 16 A 8.52 5.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.14 4.81 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.67 0.00 2.11 2.13 0.00 3.97 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 19 S 8.70 4.58 0.00 3.93 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 20 E 8.26 3.90 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 21 V 7.88 4.68 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 0.86 0.00 0.00 1.18 0.00 0.00 22 E 8.61 5.00 0.00 1.83 1.69 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 2.11 2.31 0.00 23 K 9.26 4.49 0.00 1.65 1.28 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.69 7.81 24 S 8.04 5.17 0.00 3.77 3.52 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 25 W 9.46 5.08 0.00 3.24 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 26 D 8.92 5.21 0.00 2.55 2.58 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 27 I 8.85 4.16 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.62 -0.16 0.00 0.00 28 E 8.37 5.12 0.00 1.96 1.71 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 2.28 2.34 0.00 29 V 8.43 5.48 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 1.28 0.00 0.00 1.07 0.00 0.00 30 P 0.00 4.55 0.00 2.45 2.09 0.00 3.36 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 31 E 8.53 4.10 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 32 G 9.49 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 0.00 0.00 0.00 33 Y 7.55 5.15 0.00 2.94 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 34 G 9.32 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.56 5.20 1.94 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 1.19 0.96 0.99 0.00 0.00 36 H 9.46 5.36 0.00 3.46 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 9.28 5.34 0.00 1.86 1.72 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.71 5.53 0.00 3.10 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 39 F 9.77 5.22 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.05 4.94 4.44 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 1.61 0.00 0.00 41 H 8.14 4.90 0.00 3.39 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.47 4.73 0.00 2.00 1.50 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 D 9.79 5.45 0.00 2.76 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 44 I 8.76 5.15 1.91 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 1.00 0.00 0.00 45 E 8.39 3.18 0.00 2.34 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 2.38 2.43 0.00 46 L 8.28 4.87 0.00 1.62 1.53 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.39 4.75 0.00 4.30 4.06 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 0.00 0.00 0.00 48 E 8.84 4.22 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 2.43 2.27 0.00 49 N 9.25 4.25 0.00 2.80 2.84 0.00 0.00 7.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.11 4.39 0.00 3.08 3.06 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 0.00 0.00 0.00 51 A 7.86 3.87 1.06 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 0.00 0.00 0.00 0.00 0.00 52 Y 7.56 4.82 0.00 3.11 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.28 4.77 0.00 2.69 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 54 S 8.10 4.70 0.00 3.78 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 55 V 8.45 4.76 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 0.65 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0.00 1.25 1.34 0.05 0.50 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 68 C 8.62 4.97 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.50 3.72 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 0.00 0.00 0.00 70 Q 8.22 5.25 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 71 R 8.91 4.90 0.00 1.86 1.98 0.00 2.70 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 72 S 8.56 5.04 0.00 3.88 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 73 S 8.62 4.75 0.00 3.84 3.78 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 74 N 8.60 4.69 0.00 2.75 2.83 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.07 4.41 0.00 2.70 2.76 0.00 0.00 7.11 7.00 0.00 0.00 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 P 0.00 4.31 0.00 1.91 2.08 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 77 H 8.14 4.83 0.00 3.09 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.58 4.57 0.00 3.69 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 79 P 0.00 4.40 0.00 2.31 2.22 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 80 I 8.19 4.85 1.89 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 1.04 0.00 0.00 81 V 8.81 4.22 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 0.74 0.00 0.00 1.05 0.00 0.00 82 E 7.92 4.90 0.00 1.82 1.62 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 2.26 2.10 0.00 83 E 8.03 5.36 0.00 2.18 2.01 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 2.12 2.31 0.00 84 F 9.67 4.94 0.00 3.05 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 85 Q 8.94 5.03 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 86 V 8.79 4.34 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 0.83 0.00 0.00 1.05 0.00 0.00 87 P 0.00 4.58 0.00 2.02 1.95 0.00 2.52 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.73 0.00 88 Y 6.79 4.89 0.00 3.12 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 89 N 8.69 5.12 0.00 3.04 3.27 0.00 0.00 5.67 7.60 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 90 K 7.94 5.17 0.00 1.61 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.48 7.81 91 L 8.86 4.90 0.00 1.48 1.44 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 9.26 5.07 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 93 V 8.92 4.98 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.87 0.00 0.00 94 I 9.04 5.18 1.90 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 1.15 0.55 0.96 0.00 0.00 95 F 9.83 5.50 0.00 3.73 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.14 4.63 0.00 1.42 1.41 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.21 7.81 97 S 8.77 4.99 0.00 3.78 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 98 D 9.51 4.93 0.00 2.14 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 99 F 7.76 3.94 0.00 3.38 3.10 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 0.00 100 S 8.81 4.70 0.00 3.93 3.84 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 0.00 109 A 8.78 4.53 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.33 4.64 0.17 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 0.00 0.00 111 Y 8.08 4.76 0.00 1.65 2.41 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 0.00 112 Y 8.22 5.34 0.00 2.95 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 0.00 113 V 9.00 4.97 2.21 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 0.83 0.00 0.00 1.16 0.00 0.00 114 A 8.99 4.83 1.09 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 0.00 115 T 8.91 4.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 116 D 8.94 4.60 0.00 2.75 2.63 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 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 0.00 135 F 8.41 5.17 0.00 3.31 3.25 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 0.00 136 I 8.60 4.03 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 1.18 0.00 0.00 137 G 10.45 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 138 G 6.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.37 5.02 0.00 2.95 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 0.00 140 F 8.93 5.04 0.00 3.16 3.25 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 0.00 141 C 9.08 5.61 0.00 3.12 3.15 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 0.00 142 S 9.33 5.03 0.00 4.03 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 0.00 143 C 8.74 5.42 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 0.00 144 P 0.00 4.78 0.00 2.17 2.24 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.25 0.00 145 P 0.00 4.33 0.00 2.14 2.11 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 146 E 9.11 3.94 0.00 2.23 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 0.00 2.25 2.38 0.00 147 Y 7.88 4.92 0.00 2.86 2.67 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 0.00 148 F 8.32 5.11 0.00 3.13 3.15 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 0.00 149 L 8.58 4.66 0.00 1.75 1.72 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.42 4.84 0.00 3.38 3.28 0.00 5.68 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 0.00 151 D 8.99 4.45 0.00 2.72 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 0.00 152 D 8.14 4.47 0.00 2.80 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 0.00 153 M 8.36 3.31 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 154 K 9.04 4.66 0.00 1.64 1.98 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.61 7.81 155 N 8.55 5.25 0.00 2.80 2.78 0.00 0.00 7.08 7.66 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 0.00 156 C 8.72 5.04 0.00 2.63 2.88 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 0.00 157 G 7.77 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 0.00 158 V 7.80 4.94 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 -0.05 0.00 0.00 0.78 0.00 0.00 159 N 8.84 4.62 0.00 2.71 2.73 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.