NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5254 8.1627 118.3419 55.2442 33.3264 173.4308 2 R 4.9394 8.5148 122.9332 53.9339 32.2954 169.4029 3 V 4.8938 9.3872 128.0719 61.0367 35.2024 173.4337 4 A 5.0542 9.0686 128.9749 50.3698 22.0965 175.7902 5 I 5.0740 8.6131 120.8499 57.8181 41.4844 173.1098 6 P 3.4421 0.0000 0.0000 62.5638 32.1105 174.9443 7 A 4.9391 8.1395 126.2345 49.9751 20.6282 175.9002 8 E 4.1002 9.0257 124.5673 58.9071 29.9954 176.2032 9 D 4.7763 7.5166 115.1188 50.8502 42.5676 176.3224 10 D 3.7555 7.3814 117.6853 53.1212 36.8574 176.0249 *13 I 4.0469 7.6886 126.3570 61.6451 39.3373 176.9659 14 K 4.2136 7.9938 118.7899 56.4182 32.2593 176.2353 15 S 4.6886 7.5307 115.4902 57.1779 66.1940 172.1508 16 N 5.3762 8.2387 115.7481 51.0911 41.3078 174.9003 17 V 3.9695 8.3496 122.3118 63.7425 30.6450 175.9705 18 S 4.2289 8.8905 123.5066 58.1786 63.8299 175.4423 19 K 4.3288 8.9360 122.9321 59.0380 33.2851 175.9370 20 H 4.9667 7.7825 116.9922 53.6085 31.4008 173.3689 21 F 4.1493 9.0172 127.7984 57.8001 39.2103 173.4564 22 G 3.4816 8.3232 119.4764 45.9294 0.0000 174.6539 23 R 4.1720 7.1945 117.7899 56.3525 30.6648 177.2440 24 S 4.1524 7.6119 114.5320 58.4990 63.1386 173.7299 25 R 4.2423 8.3515 122.6673 56.5734 32.0945 174.9517 26 Y 5.0479 7.6697 115.4156 56.2382 42.3303 174.3106 27 F 4.9388 9.4333 120.9178 55.6253 43.2252 174.0658 28 V 4.5450 8.5513 123.4617 61.6824 33.2551 174.3471 29 F 5.4575 9.0895 126.9243 55.9085 41.5379 175.1414 30 V 4.9416 9.0056 116.4005 59.7069 35.4873 174.1518 31 D 5.3206 8.7950 124.8989 52.9102 42.9510 175.5517 32 I 5.4820 8.8525 123.9549 58.5935 40.4513 174.8948 33 E 4.6361 8.6948 126.7831 55.4155 33.2530 176.3344 34 G 3.9903 8.7987 115.0679 46.8116 0.0000 173.4437 35 E 4.6020 9.1511 121.7905 55.2725 30.8621 173.8590 36 D 4.8667 7.9054 117.5101 52.9727 42.3543 176.1745 37 V 4.2423 7.9300 123.0129 60.1353 30.9575 175.9849 38 K 3.7563 8.8802 130.5725 59.9573 32.8985 175.6076 39 N 4.6004 7.8699 115.6182 53.4253 43.1269 173.7001 40 V 5.5067 8.5398 114.3987 60.7206 35.8906 173.4905 41 E 4.8564 8.8453 120.9556 55.1169 33.2727 173.9065 42 V 5.0560 8.5183 114.8609 59.7724 33.7321 175.5197 43 V 4.7109 8.9647 124.7352 59.8650 34.3948 174.3153 44 E 4.5072 8.9683 124.5628 55.6050 30.7000 175.6587 45 V 3.7980 8.8724 120.9657 59.3979 32.4610 174.5708 46 P 4.2930 0.0000 0.0000 62.5657 32.0904 176.1692 47 F 4.1127 8.9249 122.5244 61.1351 39.3046 175.4444 48 E 3.7919 7.9561 124.2406 54.5289 28.2959 174.5097 49 E 4.4203 7.5395 124.9503 55.1693 30.9033 175.9277 50 H 4.2396 9.2854 120.3489 55.6941 31.8275 173.9181 *53 G 2.8951 8.1456 114.7278 45.7438 0.0000 173.8565 54 D 4.2520 7.0713 119.8483 56.0090 41.1231 179.2590 55 L 3.8735 7.7614 119.0463 57.3490 41.6874 177.4988 56 P 3.8174 0.0000 0.0000 65.7921 31.1855 178.3444 57 N 4.3222 7.5726 114.2156 56.1882 38.2251 177.1372 58 F 4.1973 8.3961 122.1178 61.4157 39.5313 177.3758 59 I 3.8769 8.0381 119.3753 64.1830 37.0165 178.1337 60 K 3.8909 8.3351 120.6374 59.7890 31.8089 177.8900 61 D 4.3544 8.1675 117.0881 57.5650 41.0144 177.3257 62 H 4.1998 7.2992 113.3689 54.8900 28.8288 176.0852 63 G 3.7743 8.2286 109.0724 45.3634 0.0000 173.8236 64 A 4.4607 7.6217 122.1225 51.8181 19.3307 178.0216 65 K 4.5839 9.0239 120.4467 56.5222 34.7369 176.2850 66 I 5.0884 7.5722 120.0940 59.2962 41.7591 174.2410 67 V 4.7049 8.3258 125.1682 60.9992 34.6501 173.9838 68 L 4.9854 8.6843 128.2460 53.3482 43.5853 175.6811 69 T 4.3604 8.9375 113.9498 60.1888 72.3782 172.6794 70 Y 4.3857 8.1876 121.9706 56.9339 38.9477 174.2489 71 G 3.6166 8.1554 105.4476 44.3792 0.0000 171.3672 72 I 4.7578 7.4542 119.8246 58.3491 41.0948 175.1545 73 G 4.0174 8.6201 113.1424 44.3159 0.0000 175.1491 74 R 4.1177 8.6395 119.0695 58.8397 29.4749 179.3546 75 R 3.9143 8.0682 116.5580 59.2034 29.5014 178.6199 76 A 4.0743 8.0465 121.1327 54.7713 18.4532 179.2542 77 I 3.7973 7.6506 117.9347 64.7284 37.1412 178.3021 78 E 3.9530 8.2300 119.0356 59.7934 29.3339 178.9595 79 Y 4.1072 7.8800 116.5046 61.1745 37.8938 178.9442 80 F 4.3927 8.1778 118.4443 60.8970 39.1014 177.5091 81 N 4.5997 8.5928 116.3976 56.3868 38.1097 177.6674 82 S 4.2470 8.3444 114.9980 60.9047 63.0998 175.5362 83 L 4.5166 7.6028 120.1463 54.1765 41.4861 177.1606 84 G 3.9325 8.0029 106.7960 46.0037 0.0000 173.2519 85 I 4.6396 8.1394 120.1929 59.4579 39.0601 175.6243 86 S 4.8015 8.6449 122.4914 57.2474 65.2730 173.3372 87 V 4.7117 8.1102 121.2690 61.0911 34.5514 174.5308 88 V 4.4964 8.6006 127.6698 61.3355 33.6482 174.7560 89 T 4.3978 8.5312 117.4995 60.5482 71.5176 174.7115 90 G 3.6348 7.8904 108.8814 45.6517 0.0000 173.7005 91 V 3.9480 7.4936 120.9534 62.5794 32.0327 174.6875 92 Y 4.6107 7.7532 123.4147 56.0391 40.9735 173.3933 93 G 3.7141 8.6826 105.2386 44.0934 0.0000 172.2472 94 R 4.4036 8.4036 118.2402 56.0169 31.2183 177.3790 95 I 3.6569 8.7643 128.2837 64.5692 37.2751 178.5129 96 S 4.0960 8.0883 114.9342 61.6307 62.5749 176.4673 97 D 4.2757 7.9540 122.0235 57.0485 40.6386 178.5089 98 V 3.5139 7.6362 118.6618 66.2389 31.3812 178.0821 99 I 3.7493 7.9884 119.4213 64.3567 37.0471 178.5388 100 K 3.9888 7.9021 118.6133 59.5039 31.8786 179.3328 101 A 4.0271 8.3636 121.3593 54.8401 18.2453 179.5805 102 F 4.1386 8.5243 119.4511 61.7607 39.4001 177.6020 103 I 3.6568 7.9148 118.0516 63.7714 36.9582 177.7603 104 G 3.8601 7.7817 103.8555 43.7172 0.0000 173.2778 105 G 3.7519 8.2767 108.5310 45.7842 0.0000 175.5295 106 K 4.6401 8.4066 114.4199 55.5675 33.5020 176.1331 107 L 4.0743 7.6052 120.1779 54.7325 42.7126 177.5340 108 K 4.0947 8.4481 123.4392 56.5025 32.8672 176.1979 109 I 4.4992 7.9466 124.8669 59.1726 39.4778 175.6859 110 D 4.6521 9.6053 126.2517 53.2261 39.5895 175.7997 111 Y 4.4887 7.9973 123.6974 60.4198 38.1301 177.3432 112 D 4.9318 7.8041 118.2854 53.5652 41.4125 177.7534 113 W 4.3668 7.9668 119.2960 59.4460 28.2903 177.3362 114 K 2.6533 6.7732 117.5649 58.3433 31.2435 176.6344 115 E 4.5093 7.6482 123.5152 54.3339 30.0097 175.6205 116 K 4.2144 8.3145 124.0045 56.6559 33.2412 176.4122 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 M 8.16 4.53 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 2 R 8.51 4.94 0.00 2.01 1.98 0.00 3.07 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 3 V 9.39 4.89 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 0.64 0.00 0.00 0.85 0.00 0.00 4 A 9.07 5.05 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 5 I 8.61 5.07 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.19 0.90 0.00 0.00 6 P 0.00 3.44 0.00 1.80 1.74 0.00 3.89 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 2.07 2.24 0.00 7 A 8.14 4.94 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 8 E 9.03 4.10 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 9 D 7.52 4.78 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.38 3.76 0.00 2.55 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 0.00 0.00 0.00 *13 I 7.69 4.05 1.86 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 1.40 0.81 0.88 0.00 0.00 14 K 7.99 4.21 0.00 1.70 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 15 S 7.53 4.69 0.00 3.79 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 0.00 16 N 8.24 5.38 0.00 2.77 2.68 0.00 0.00 6.44 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 17 V 8.35 3.97 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 0.79 0.00 0.00 0.91 0.00 0.00 18 S 8.89 4.23 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.94 4.33 0.00 1.57 1.86 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 20 H 7.78 4.97 0.00 3.13 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 9.02 4.15 0.00 3.09 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 22 G 8.32 3.48 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 23 R 7.19 4.17 0.00 1.78 1.96 0.00 3.09 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 24 S 7.61 4.15 0.00 3.27 3.38 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 25 R 8.35 4.24 0.00 1.77 1.38 0.00 3.05 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 26 Y 7.67 5.05 0.00 2.99 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 27 F 9.43 4.94 0.00 2.88 2.35 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 28 V 8.55 4.54 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 0.94 0.00 0.00 0.89 0.00 0.00 29 F 9.09 5.46 0.00 3.07 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 30 V 9.01 4.94 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 0.77 0.00 0.00 0.98 0.00 0.00 31 D 8.80 5.32 0.00 2.73 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 32 I 8.85 5.48 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.67 1.03 0.00 0.00 33 E 8.69 4.64 0.00 1.96 1.83 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 2.30 2.21 0.00 34 G 8.80 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 0.00 0.00 0.00 35 E 9.15 4.60 0.00 1.87 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 2.16 2.26 0.00 36 D 7.91 4.87 0.00 2.98 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 37 V 7.93 4.24 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 0.79 0.00 0.00 0.96 0.00 0.00 38 K 8.88 3.76 0.00 1.83 1.91 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 39 N 7.87 4.60 0.00 2.76 2.75 0.00 0.00 6.86 7.59 0.00 0.00 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 8.54 5.51 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 0.96 0.00 0.00 0.95 0.00 0.00 41 E 8.85 4.86 0.00 2.08 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 2.41 2.57 0.00 42 V 8.52 5.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 43 V 8.96 4.71 2.30 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 1.43 0.00 0.00 1.27 0.00 0.00 44 E 8.97 4.51 0.00 2.01 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 1.94 1.48 0.00 45 V 8.87 3.80 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.71 0.00 0.00 46 P 0.00 4.29 0.00 2.16 2.03 0.00 3.77 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 2.09 2.02 0.00 47 F 8.92 4.11 0.00 2.89 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 48 E 7.96 3.79 0.00 2.01 1.84 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 2.03 2.25 0.00 49 E 7.54 4.42 0.00 1.70 1.66 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 2.04 1.88 0.00 50 H 9.29 4.24 0.00 3.12 3.07 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 G 8.15 2.90 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 54 D 7.07 4.25 0.00 2.62 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 55 L 7.76 3.87 0.00 1.72 1.77 0.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 3.82 0.00 1.83 1.30 0.00 3.87 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 1.66 1.10 0.00 57 N 7.57 4.32 0.00 2.90 2.85 0.00 0.00 6.71 8.01 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 58 F 8.40 4.20 0.00 3.02 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 59 I 8.04 3.88 2.39 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 1.11 0.00 0.00 60 K 8.34 3.89 0.00 1.99 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 61 D 8.17 4.35 0.00 2.76 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 62 H 7.30 4.20 0.00 2.43 1.84 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.23 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 0.00 0.00 0.00 64 A 7.62 4.46 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.02 4.58 0.00 1.67 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.55 7.81 66 I 7.57 5.09 1.83 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 1.27 0.51 0.78 0.00 0.00 67 V 8.33 4.70 1.57 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 1.09 0.00 0.00 0.27 0.00 0.00 68 L 8.68 4.99 0.00 1.46 1.42 0.44 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.94 4.36 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 1.27 0.00 0.00 70 Y 8.19 4.39 0.00 3.21 2.79 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 71 G 8.16 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 72 I 7.45 4.76 1.71 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 1.30 0.56 0.74 0.00 0.00 73 G 8.62 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.64 4.12 0.00 2.09 2.27 0.00 3.00 0.00 0.00 3.41 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 75 R 8.07 3.91 0.00 2.16 2.28 0.00 3.18 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 76 A 8.05 4.07 1.39 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 0.00 0.00 0.00 77 I 7.65 3.80 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 1.57 0.74 0.97 0.00 0.00 78 E 8.23 3.95 0.00 2.09 1.87 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 2.30 2.48 0.00 79 Y 7.88 4.11 0.00 3.13 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 80 F 8.18 4.39 0.00 3.32 3.22 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 81 N 8.59 4.60 0.00 2.92 2.91 0.00 0.00 6.85 7.11 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 82 S 8.34 4.25 0.00 4.03 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 83 L 7.60 4.52 0.00 1.94 1.83 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.00 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 85 I 8.14 4.64 2.24 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.70 0.00 0.00 86 S 8.64 4.80 0.00 3.78 3.76 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 87 V 8.11 4.71 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 0.62 0.00 0.00 0.74 0.00 0.00 88 V 8.60 4.50 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 0.81 0.00 0.00 0.96 0.00 0.00 89 T 8.53 4.40 3.57 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 1.14 0.00 0.00 90 G 7.89 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 91 V 7.49 3.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 92 Y 7.75 4.61 0.00 2.85 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 93 G 8.68 3.71 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 0.00 0.00 0.00 94 R 8.40 4.40 0.00 1.86 1.94 0.00 3.18 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 95 I 8.76 3.66 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.86 0.00 0.00 96 S 8.09 4.10 0.00 4.05 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 0.00 97 D 7.95 4.28 0.00 2.89 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 98 V 7.64 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.81 0.00 0.00 99 I 7.99 3.75 2.05 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 1.52 0.68 0.96 0.00 0.00 100 K 7.90 3.99 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 101 A 8.36 4.03 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 0.00 102 F 8.52 4.14 0.00 3.13 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.91 3.66 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.88 0.00 0.00 104 G 7.78 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 0.00 105 G 8.28 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.41 4.64 0.00 1.78 1.78 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 107 L 7.61 4.07 0.00 1.68 1.63 1.04 1.11 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 0.00 108 K 8.45 4.09 0.00 1.71 1.75 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.83 0.89 7.81 109 I 7.95 4.50 1.54 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 1.24 0.77 0.91 0.00 0.00 110 D 9.61 4.65 0.00 2.88 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 0.00 111 Y 8.00 4.49 0.00 3.10 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 0.00 112 D 7.80 4.93 0.00 2.70 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 0.00 113 W 7.97 4.37 0.00 2.72 2.98 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 0.00 0.00 0.00 114 K 6.77 2.65 0.00 1.10 1.51 0.00 1.25 0.00 0.00 1.17 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.80 7.81 115 E 7.65 4.51 0.00 1.79 1.80 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 2.15 2.34 0.00 116 K 8.31 4.21 0.00 2.10 1.75 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.