NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3178 8.3149 122.1413 54.2142 34.6838 175.4454 7 Q 3.9471 7.8864 117.8698 54.1260 29.6815 176.2035 8 S 4.3450 9.3420 119.2582 57.5405 66.1399 172.9917 9 P 4.2331 0.0000 0.0000 66.0262 31.0696 178.8430 10 R 3.9928 7.9524 116.6178 59.7067 30.1191 178.3271 11 E 4.0436 8.2268 118.2851 59.3823 29.3848 179.5816 12 R 3.9777 8.4798 118.7353 59.1037 30.0060 179.0643 13 L 3.9918 8.1489 118.8571 57.7923 41.6657 179.4962 14 L 3.9166 8.1325 118.9772 57.6568 41.4817 179.2604 15 E 3.8728 8.3205 118.9312 59.2455 29.6303 178.7081 16 A 3.9535 8.1291 120.5930 55.0960 18.5326 179.3715 17 A 3.8755 8.2309 119.2815 55.1943 18.2941 179.8100 18 A 3.8410 8.0390 118.9319 55.1724 18.5083 179.8132 19 A 3.9437 8.2819 119.6438 55.4369 18.5301 179.9688 20 L 3.9887 8.3506 118.2704 58.0366 41.7267 179.7984 21 T 4.2343 7.7928 111.0036 64.4065 68.3509 176.0148 22 Y 3.9212 7.5505 121.6896 60.2705 38.9153 177.4693 23 R 3.9004 7.9173 118.4009 59.1249 30.5025 177.3783 24 D 4.6836 8.4842 115.3922 52.9353 41.9162 177.3176 25 G 3.9950 7.3992 106.7279 44.9355 0.0000 175.3058 26 V 3.6718 8.4360 113.3598 63.4506 31.5534 177.8072 27 G 3.8440 7.9169 107.2377 45.5616 0.0000 173.9284 28 I 3.6864 7.5564 114.2258 60.7964 38.1474 176.8612 29 G 3.9107 8.3893 110.3736 43.5831 0.0000 174.7709 30 V 3.5689 8.2749 119.0469 66.1059 31.2742 177.6940 31 E 3.9373 8.2133 117.2455 59.5590 29.3348 179.0947 32 A 3.9854 7.9542 120.1368 54.9930 18.4145 179.3398 33 L 3.8535 7.9449 118.8272 58.5541 42.2219 178.9951 34 C 4.1317 8.4337 117.1623 62.5337 27.8800 176.0459 35 K 3.8888 8.4568 121.4101 59.5594 31.6294 178.7962 36 A 3.9927 8.0485 119.6873 54.9636 18.3916 178.9347 37 A 4.1933 8.2098 117.5773 52.2837 18.7421 177.7050 38 G 3.8692 7.7105 105.0941 46.7771 0.0000 173.9534 39 V 4.5289 7.5811 111.2284 58.8062 35.1041 175.8357 40 S 4.6271 8.2664 115.7025 57.1962 64.2669 174.5960 41 K 4.1191 8.6213 120.9515 59.6768 32.3309 178.6940 42 R 4.1652 8.3223 118.7137 59.7583 30.2357 179.5943 43 S 4.7938 8.1564 111.4955 58.7679 62.4054 175.8922 *45 Y 5.0680 7.7576 119.0084 58.2755 39.3253 176.8218 46 Q 4.1940 8.5043 119.4301 58.7513 29.0060 178.4610 47 L 3.8700 7.8696 116.9552 56.5545 42.0507 177.0799 48 F 4.9660 7.5701 115.0531 55.2780 43.0798 175.1745 49 E 4.0554 9.1206 124.0865 59.2548 29.8946 177.1373 50 S 4.7027 7.5965 111.3012 56.1816 66.7707 175.2589 51 K 3.7624 8.4929 122.1931 59.5276 31.8014 177.9556 52 D 4.4243 8.1584 118.7500 57.8232 40.7751 178.8389 53 E 4.0192 8.0130 118.3125 58.9165 29.3358 179.0423 54 L 2.6297 7.6289 120.5351 57.6231 42.0173 178.7218 55 L 3.7885 7.9697 120.1635 58.0782 41.9263 178.6090 56 A 3.9812 7.9490 120.3314 55.2865 18.3065 179.3614 57 A 3.9705 8.3532 119.5322 55.4498 18.6124 179.7861 58 S 4.0508 8.2269 111.7210 61.3752 62.2084 176.4292 59 L 4.1240 7.8196 120.6020 57.6906 41.7461 179.0851 60 K 4.0981 8.3064 119.7205 59.7023 32.0637 178.4913 61 E 4.2025 8.5443 116.4843 58.0917 29.6477 177.6470 62 R 4.5756 7.5841 116.1678 55.9664 31.3597 178.2187 63 S 4.3054 8.1061 114.5625 61.2565 62.9695 176.0361 64 A 3.9900 8.1603 123.7479 55.0114 17.9577 179.3259 65 A 3.9112 7.9696 118.5321 55.1784 18.5465 179.1995 66 F 4.1002 8.0279 119.1719 61.6971 39.4768 177.3058 67 V 2.9533 8.3622 117.7476 65.9225 30.9955 177.6037 68 A 3.9032 7.8080 119.2893 55.0213 18.1771 179.5159 69 K 4.0476 7.3874 115.2568 59.4292 32.5676 179.2917 70 A 3.9234 7.9378 119.5406 53.1525 18.4117 177.3551 71 L 4.4477 6.6687 116.2920 51.8229 44.2083 174.7232 72 P 3.6153 0.0000 0.0000 61.3346 31.8402 174.3754 73 P 4.3798 0.0000 0.0000 62.0598 32.2931 177.3291 74 A 3.9363 8.6477 124.8254 56.2370 18.3362 179.0939 75 D 4.7666 7.9118 111.7620 53.2048 39.7805 177.8986 76 D 4.6422 7.5091 118.4380 54.4058 39.9982 176.1274 77 G 4.0847 8.2888 107.1052 45.4314 0.0000 174.2322 78 R 4.5899 8.2743 118.1750 54.8750 30.8011 177.4276 79 S 4.5266 8.4846 116.0186 57.0191 65.6448 173.5442 80 P 4.5001 0.0000 0.0000 65.2585 30.9170 179.1647 81 R 3.9838 7.9722 116.2228 59.3120 29.9188 178.7720 82 E 4.0504 8.1452 117.9256 59.6115 29.2561 179.6811 83 R 4.1058 8.1132 117.1059 59.2048 30.2572 179.0319 84 I 4.4238 8.2109 122.1473 65.1675 37.2488 178.7495 85 L 4.1982 8.3458 123.5279 59.9476 40.6792 180.2893 86 Y 4.2695 8.5019 120.9033 60.7664 38.4584 178.5686 87 V 3.8381 7.9783 118.8472 66.4040 31.6655 178.0164 88 F 4.2150 8.5029 116.6176 60.0585 38.8890 177.4992 89 E 3.9719 8.7545 119.1017 59.5328 29.1893 179.4690 90 R 3.7863 7.8768 117.9664 59.1348 30.0397 179.2245 91 V 3.4317 7.4527 117.9480 65.9443 31.3955 177.7277 92 E 3.8081 8.1444 118.9814 59.2078 29.5180 179.0045 93 S 4.0992 7.9832 115.1012 61.8416 63.1130 176.8320 94 Q 3.9382 8.2622 120.5210 58.4943 28.0785 178.6833 95 A 2.8456 7.2838 121.6610 54.5498 18.4103 179.5961 96 G 3.5786 7.6039 102.2040 45.9867 0.0000 174.1383 97 A 4.1982 7.2844 125.2780 51.2733 18.9382 176.8973 98 P 4.3018 0.0000 0.0000 66.3641 31.5944 177.7452 99 D 4.6782 8.0674 115.0043 53.3291 39.8591 179.4034 100 F 4.6759 8.0753 122.5857 59.3864 39.6455 175.1224 101 Q 4.3601 7.7716 127.4698 54.1625 30.0031 176.1876 102 G 3.3149 5.3800 105.9421 44.3218 0.0000 172.9666 103 C 4.3785 8.4215 119.3955 58.7197 32.3863 174.6102 104 R 3.8778 8.5418 128.7108 60.0380 29.4549 177.7812 105 Y 4.1558 7.2107 115.5797 60.6838 38.0483 177.5147 106 L 4.0006 8.0282 120.5896 58.0444 42.2322 178.5148 107 A 3.9148 8.2536 121.0736 55.2568 18.3359 179.5059 108 V 3.4954 7.7718 116.5499 66.5139 31.0974 178.3084 109 Q 4.0449 7.9734 116.9858 59.0217 28.3371 178.7974 110 I 3.7929 7.7538 119.9193 64.5084 37.2250 178.1085 111 E 4.1161 8.2922 118.6728 59.1786 29.3692 179.0121 112 L 4.0309 7.9748 118.3726 55.1296 42.2307 177.1002 113 K 3.7182 7.5355 115.6487 56.5258 30.2734 176.1194 114 D 4.3238 7.4067 114.8297 53.8243 42.1177 175.4803 115 Q 3.9959 8.7339 126.4515 58.1094 28.9271 177.6320 116 A 4.2617 7.9229 119.2866 53.0433 19.4927 177.7419 117 H 4.2207 8.1559 117.2450 55.3276 31.4756 174.0031 118 P 4.2554 0.0000 0.0000 66.1839 31.0020 178.5880 119 A 4.0293 8.1799 119.9408 54.9640 18.3612 179.3617 120 S 4.1226 8.1524 111.2117 61.5577 62.5266 176.4793 121 R 3.9682 8.1855 120.8710 59.1529 29.7270 179.1812 122 V 3.6017 7.8597 117.7693 65.9299 31.5742 177.9186 123 A 4.0320 8.2050 120.5223 55.3052 18.1687 178.8568 124 Y 4.0206 8.5124 118.4747 60.9924 38.7865 178.2892 125 Q 3.9825 8.4087 120.3867 59.2319 29.2382 178.0340 126 I 3.5117 7.8697 121.0688 64.4072 36.8406 178.5648 127 K 3.9108 7.8054 117.7609 58.8767 31.9184 179.0394 128 A 3.9685 7.7080 121.0181 55.0410 18.6215 178.9553 129 D 4.4469 8.2753 117.8031 57.2070 40.9034 179.1411 130 L 3.9524 7.3575 118.2061 55.3562 41.9665 178.3906 *132 A 4.2767 8.0116 122.2542 51.6515 20.7913 179.6435 133 F 4.0348 7.9596 116.9671 61.5366 39.3307 177.3864 134 F 4.3542 7.8782 117.1356 60.6196 38.7885 177.5642 135 R 3.9300 8.0394 117.8653 59.4543 29.8894 178.3826 136 S 4.0087 8.4493 113.2198 61.5305 62.2407 176.0563 137 E 3.8255 8.0635 121.1370 58.9436 29.0738 178.9436 138 A 4.0332 8.3212 121.4293 55.4253 18.4908 179.3611 139 E 3.8691 8.0672 117.2693 59.3998 29.5127 178.9871 140 R 4.0423 8.0264 117.9897 58.8291 30.1511 177.7066 141 G 4.0009 8.0078 103.4358 44.0821 0.0000 174.1296 142 G 3.8381 7.8676 107.7648 45.5886 0.0000 174.0906 143 A 4.2883 7.7102 122.0439 52.0768 18.8815 178.9091 144 S 4.2485 8.8492 117.2800 60.9167 63.2779 174.5542 145 D 4.6901 7.6130 121.3062 50.0244 41.4273 173.1321 146 P 4.3032 0.0000 0.0000 65.2654 31.5113 177.6308 147 D 4.3583 8.0946 117.2364 57.0646 40.7904 178.2052 148 L 3.9366 8.0382 120.6008 58.2497 42.1320 178.8340 149 L 4.0710 7.9807 119.9609 58.0562 41.9177 178.7985 150 A 4.0937 8.2214 120.8309 55.3033 18.4199 179.8838 151 R 3.9412 8.1770 116.5995 59.3600 30.0770 179.4235 152 Q 4.0085 8.2535 118.1347 58.8766 28.7050 178.6705 153 L 3.8650 8.2369 120.4502 57.8153 41.5185 179.4845 154 I 4.0023 8.0392 118.6162 63.7986 37.7935 177.7958 155 L 4.0234 7.8273 121.1095 58.1951 41.9134 179.1129 156 V 3.6819 8.0819 118.2893 65.8012 31.3098 177.7916 157 F 4.3172 8.7624 120.6894 61.5177 39.2319 176.9344 158 D 4.6607 8.9008 118.9732 57.3577 40.5998 178.9960 159 G 3.6398 8.6417 106.4393 47.7091 0.0000 175.6369 160 A 4.0181 8.4187 123.7664 55.0287 18.3887 179.8720 161 S 4.1798 8.2966 113.7080 61.6513 62.8148 176.9274 162 A 3.9638 8.3897 123.6731 55.4467 18.1517 180.0390 163 R 3.9351 8.2996 116.5291 59.2152 30.1421 179.2323 164 A 4.9343 8.0279 122.6215 54.6794 18.4946 179.9416 165 G 3.4938 8.7687 104.7700 46.8526 0.0000 174.8426 166 I 4.4355 7.4571 112.2991 60.0458 38.1287 176.2859 167 G 3.8531 7.7443 107.7730 46.3810 0.0000 174.7354 168 A 4.2090 8.1603 124.3284 53.8213 19.1620 178.5518 169 D 4.5343 7.6389 114.4598 53.4768 43.9861 175.2795 170 N 4.5230 8.8166 123.2530 53.1650 38.0420 176.0438 171 L 3.8555 8.8114 119.1279 55.1390 40.7270 174.3905 172 T 4.1589 7.2686 115.8491 64.3006 68.4645 174.6934 173 G 3.8980 8.8218 113.8294 46.2618 0.0000 173.9304 174 L 4.3504 7.9800 121.6716 56.8608 42.7298 178.5265 175 I 3.6639 7.4747 119.1943 64.2701 37.1432 178.3340 176 V 3.5353 7.6658 118.5016 65.7029 31.4240 176.1718 177 P 4.2215 0.0000 0.0000 65.7055 31.1905 178.8281 178 T 3.8103 7.6065 114.7500 66.5603 68.2836 176.7954 179 L 3.7837 8.0841 121.2760 57.9818 41.5257 179.6698 180 T 3.8219 8.1335 115.9808 66.9584 68.3911 176.8052 181 T 3.8315 7.9986 117.5882 66.6202 68.4390 176.8276 182 L 3.9779 7.8894 120.8852 57.7299 41.4259 179.5715 183 L 4.0023 7.9176 118.2238 57.7586 41.7755 179.0280 184 D 4.4526 8.3723 118.8455 57.3702 40.5987 178.6439 185 A 3.9905 7.9615 119.6681 54.5317 18.4821 178.4588 186 A 4.2708 7.7776 117.2520 50.5128 19.1977 173.1261 187 D 4.3272 7.6221 127.6147 54.7897 41.6572 174.4317 *189 H 4.5296 8.6430 117.2516 54.8746 28.6726 172.2378 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 6 K 8.31 4.32 0.00 1.79 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 Q 7.89 3.95 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 8 S 9.34 4.34 0.00 4.05 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 9 P 0.00 4.23 0.00 2.18 2.18 0.00 3.60 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 2.12 2.17 0.00 10 R 7.95 3.99 0.00 1.84 1.93 0.00 3.02 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 11 E 8.23 4.04 0.00 2.19 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 2.35 2.51 0.00 12 R 8.48 3.98 0.00 1.98 2.09 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.99 0.00 13 L 8.15 3.99 0.00 2.03 1.73 1.06 0.48 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 14 L 8.13 3.92 0.00 1.86 1.73 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.32 3.87 0.00 2.23 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 0.00 2.30 2.36 0.00 16 A 8.13 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 17 A 8.23 3.88 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 18 A 8.04 3.84 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 19 A 8.28 3.94 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 20 L 8.35 3.99 0.00 1.73 1.71 0.91 0.62 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 21 T 7.79 4.23 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 1.19 0.00 0.00 22 Y 7.55 3.92 0.00 2.84 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 23 R 7.92 3.90 0.00 1.91 1.93 0.00 3.29 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 1.60 1.65 0.00 24 D 8.48 4.68 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 25 G 7.40 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 0.00 0.00 0.00 26 V 8.44 3.67 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 0.68 0.00 0.00 0.93 0.00 0.00 27 G 7.92 3.84 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 0.00 0.00 0.00 28 I 7.56 3.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.92 0.00 0.00 29 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 30 V 8.27 3.57 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 1.17 0.00 0.00 0.97 0.00 0.00 31 E 8.21 3.94 0.00 2.02 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 2.43 2.34 0.00 32 A 7.95 3.99 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 33 L 7.94 3.85 0.00 2.00 1.74 0.88 0.92 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 34 C 8.43 4.13 0.00 3.06 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 35 K 8.46 3.89 0.00 1.87 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 36 A 8.05 3.99 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 37 A 8.21 4.19 1.41 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 0.00 0.00 38 G 7.71 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 0.00 0.00 0.00 39 V 7.58 4.53 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 0.89 0.00 0.00 0.94 0.00 0.00 40 S 8.27 4.63 0.00 4.01 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 41 K 8.62 4.12 0.00 1.88 2.15 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.49 7.81 42 R 8.32 4.17 0.00 1.89 1.97 0.00 3.22 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 43 S 8.16 4.79 0.00 4.11 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 *45 Y 7.76 5.07 0.00 3.06 3.07 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 46 Q 8.50 4.19 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 47 L 7.87 3.87 0.00 1.48 0.95 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.57 4.97 0.00 2.95 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 49 E 9.12 4.06 0.00 1.99 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 2.34 2.43 0.00 50 S 7.60 4.70 0.00 4.11 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 51 K 8.49 3.76 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 52 D 8.16 4.42 0.00 2.69 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 53 E 8.01 4.02 0.00 2.16 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 0.00 2.35 2.51 0.00 54 L 7.63 2.63 0.00 0.79 1.45 0.27 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.97 3.79 0.00 1.71 1.80 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.95 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.23 4.05 0.00 3.81 3.97 0.00 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0.00 75 D 7.91 4.77 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.51 4.64 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.29 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 78 R 8.27 4.59 0.00 2.05 1.90 0.00 3.20 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 79 S 8.48 4.53 0.00 4.06 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 80 P 0.00 4.50 0.00 2.17 2.32 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 81 R 7.97 3.98 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 82 E 8.15 4.05 0.00 2.33 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 2.38 2.40 0.00 83 R 8.11 4.11 0.00 2.01 2.23 0.00 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0.00 100 F 8.08 4.68 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.77 4.36 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 102 G 5.38 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 0.00 0.00 0.00 103 C 8.42 4.38 0.00 3.24 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 0.00 104 R 8.54 3.88 0.00 1.45 0.83 0.00 2.21 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.49 0.00 105 Y 7.21 4.16 0.00 3.04 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 0.00 106 L 8.03 4.00 0.00 1.89 1.89 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.25 3.91 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 0.00 108 V 7.77 3.50 2.23 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.41 3.98 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 126 I 7.87 3.51 1.46 0.00 0.00 0.49 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 0.74 0.10 0.00 0.00 127 K 7.81 3.91 0.00 1.58 1.76 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.64 7.81 128 A 7.71 3.97 1.18 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 0.00 0.00 0.00 0.00 0.00 129 D 8.28 4.45 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 130 L 7.36 3.95 0.00 1.49 1.53 0.19 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.01 4.28 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 0.00 133 F 7.96 4.03 0.00 2.97 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 0.00 134 F 7.88 4.35 0.00 3.21 2.96 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 0.00 135 R 8.04 3.93 0.00 1.97 2.14 0.00 3.24 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 136 S 8.45 4.01 0.00 3.82 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 0.00 137 E 8.06 3.83 0.00 1.79 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 1.56 1.72 0.00 138 A 8.32 4.03 1.41 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 0.00 0.00 139 E 8.07 3.87 0.00 2.07 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 2.29 2.30 0.00 140 R 8.03 4.04 0.00 1.96 2.00 0.00 3.28 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 141 G 8.01 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 0.00 0.00 0.00 142 G 7.87 3.84 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 0.00 0.00 0.00 143 A 7.71 4.29 1.32 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 0.00 0.00 0.00 144 S 8.85 4.25 0.00 3.98 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 0.00 145 D 7.61 4.69 0.00 2.63 2.53 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 0.00 146 P 0.00 4.30 0.00 2.20 2.17 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 147 D 8.09 4.36 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.04 3.94 0.00 1.92 1.85 0.93 0.43 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 0.00 149 L 7.98 4.07 0.00 1.80 1.65 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.22 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.94 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 152 Q 8.25 4.01 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 153 L 8.24 3.86 0.00 1.06 0.75 0.74 0.43 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 0.00 154 I 8.04 4.00 2.12 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 1.46 1.59 1.09 0.00 0.00 155 L 7.83 4.02 0.00 1.99 1.87 0.95 0.95 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 0.00 156 V 8.08 3.68 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 157 F 8.76 4.32 0.00 3.39 3.37 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 0.00 158 D 8.90 4.66 0.00 3.00 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 0.00 159 G 8.64 3.64 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 0.00 0.00 0.00 160 A 8.42 4.02 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.30 4.18 0.00 4.07 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 0.00 162 A 8.39 3.96 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 0.00 163 R 8.30 3.94 0.00 1.96 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 164 A 8.03 4.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.77 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 4.44 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 1.74 0.78 0.93 0.00 0.00 167 G 7.74 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 0.00 168 A 8.16 4.21 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 0.00 169 D 7.64 4.53 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.52 0.00 2.83 2.91 0.00 0.00 6.33 7.79 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 0.00 171 L 8.81 3.86 0.00 1.85 1.88 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.27 4.16 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 1.20 0.00 0.00 173 G 8.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.98 4.35 0.00 1.75 1.82 0.91 0.94 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 0.00 175 I 7.47 3.66 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 0.90 0.00 0.00 176 V 7.67 3.54 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 1.15 0.00 0.00 0.93 0.00 0.00 177 P 0.00 4.22 0.00 2.16 2.05 0.00 3.66 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 2.26 2.15 0.00 178 T 7.61 3.81 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 1.12 0.00 0.00 179 L 8.08 3.78 0.00 1.71 1.57 0.78 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.13 3.82 4.35 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 1.24 0.00 0.00 181 T 8.00 3.83 4.33 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 1.18 0.00 0.00 182 L 7.89 3.98 0.00 1.60 1.64 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.92 4.00 0.00 1.63 1.71 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.37 4.45 0.00 2.70 2.70 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 0.00 185 A 7.96 3.99 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 0.00 186 A 7.78 4.27 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 0.00 187 D 7.62 4.33 0.00 2.81 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 *189 H 8.64 4.53 0.00 2.95 2.88 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.