NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4062 8.2985 121.7432 56.1191 31.4435 174.0202 3 A 4.7800 8.5964 128.5404 50.0954 20.1334 171.2860 4 V 4.1410 9.3894 124.1118 61.8851 33.7946 173.2725 5 K 5.1621 8.4599 127.8346 55.3419 34.8958 175.0898 6 T 4.6856 9.6217 121.5079 60.6698 70.5343 172.7583 7 D 4.7625 8.6820 125.2856 53.5777 39.7117 176.8721 8 R 4.4219 7.9935 117.1889 56.2874 30.3223 175.8981 9 A 4.7461 7.4567 119.9030 49.2427 22.2614 174.4870 10 P 4.3932 0.0000 0.0000 63.0179 31.5288 176.4043 11 A 3.9954 8.4330 123.8188 51.9944 18.9335 177.1639 12 A 4.3240 8.1478 123.1132 50.8961 18.1193 177.7405 13 I 3.9670 8.3771 123.9769 63.4764 38.2287 176.6709 14 G 4.2946 7.4392 109.4930 43.8608 0.0000 171.3755 15 P 4.6306 0.0000 0.0000 61.9129 30.9717 174.9270 16 Y 4.8336 7.0027 114.6469 56.6096 41.2619 173.5014 17 A 4.7534 8.3325 122.9336 50.0934 21.9330 176.3397 18 Q 4.4808 8.8121 119.9634 59.2965 29.7888 176.8755 19 A 5.2381 7.8388 117.6061 50.8867 23.4972 175.3972 20 V 4.8946 9.0431 118.7877 61.2234 35.1350 174.3060 21 K 5.1249 9.1965 127.8016 54.8951 33.4624 175.9783 22 A 4.6246 9.6820 127.6131 52.2033 22.6559 176.0026 23 G 4.2152 9.9750 109.9330 46.7011 0.0000 174.5256 24 G 3.6950 8.3070 106.1382 44.7814 0.0000 172.9184 25 F 5.1336 7.9864 117.6730 55.4364 43.1776 174.3883 26 V 4.6839 8.7785 119.5758 61.3669 34.2597 174.1777 27 F 4.8836 9.7352 128.2663 56.1880 40.4632 174.9537 28 V 4.7189 8.6753 125.2061 61.2349 33.0671 175.7643 29 S 4.4646 9.1409 124.6186 58.1391 63.8061 174.3661 30 G 3.8808 8.5490 109.3956 46.5302 0.0000 172.9115 31 Q 4.7771 9.2529 126.5205 54.7590 30.5873 175.2889 32 I 4.9905 7.9897 115.4901 56.4668 41.1456 174.4935 33 P 4.6968 0.0000 0.0000 62.4570 29.0622 176.3670 34 L 4.9800 7.6907 118.2129 52.8933 44.3727 177.1277 35 A 4.4181 8.8925 125.6118 50.6391 19.4429 176.7794 36 P 4.4369 0.0000 0.0000 65.6595 31.3558 177.3864 37 D 4.5849 8.1160 115.1907 53.1202 39.4376 177.2866 38 G 3.9743 8.5766 108.5576 45.5405 0.0000 174.1032 39 S 4.4427 7.7518 115.1996 57.6989 64.6388 173.2998 40 L 4.5166 8.4647 125.3233 55.0152 42.8941 176.0391 41 V 4.1416 8.9096 127.1372 61.6942 31.8636 175.6544 42 E 4.2040 8.8236 127.8283 55.9174 30.3177 176.2630 43 G 4.1836 8.3166 107.0229 43.2632 0.0000 172.8871 44 D 4.6773 8.1248 120.0125 52.7585 42.1110 176.1384 45 I 3.7469 8.3177 117.4657 64.5099 37.8370 178.4727 46 R 3.9511 8.0474 118.5599 59.2480 29.8412 178.9559 47 V 3.6188 8.1666 117.9248 66.2409 31.5437 178.1436 48 Q 4.0492 8.1927 117.8033 59.2119 28.3280 178.7238 49 T 4.0096 8.1932 116.4375 66.4013 68.5294 175.8335 50 E 4.0877 7.9842 120.4607 59.4142 29.8837 178.5946 51 R 4.0945 7.6871 118.4127 59.3326 30.0427 179.4912 52 V 3.7625 7.5881 115.0569 63.7432 31.3983 177.2394 *54 E 4.3005 8.1701 118.6224 56.0202 31.6044 178.0415 55 N 4.4197 8.4137 116.5513 56.1264 38.3869 177.5330 56 L 4.0410 8.1733 120.6959 57.6316 41.7230 179.6191 57 K 3.9230 8.0068 117.7007 59.3409 32.0979 178.8767 58 A 3.9708 7.9616 120.9360 55.2431 18.4542 179.8441 59 V 3.5530 7.8747 116.4401 66.2421 31.5963 178.0997 60 L 4.0433 8.2043 118.9772 57.9885 41.4641 179.4939 61 E 4.2071 9.0099 119.9321 58.8971 29.1965 179.2878 62 A 4.0300 8.0113 119.4748 54.7849 18.4962 178.8675 63 A 4.2600 7.6929 117.2183 52.9492 18.7286 178.3720 64 G 3.8782 8.1183 105.3998 45.4198 0.0000 173.5873 65 S 4.9279 7.7556 116.3289 58.6115 64.5579 172.5260 66 G 3.9134 8.0057 105.7436 45.3197 0.0000 174.0931 67 L 4.1613 8.0869 119.0081 57.7546 41.5765 179.8041 68 S 4.4303 8.0832 111.0321 59.9615 63.4280 174.6679 69 R 4.3790 7.9496 119.8150 56.0080 30.7018 176.1597 70 V 4.1627 7.5503 119.0779 63.2151 31.9122 175.7440 71 V 4.2864 8.7644 120.4413 62.2756 33.6958 175.6245 72 Q 5.1963 7.7660 120.6650 54.8946 32.7538 173.2843 73 T 5.1457 8.9425 114.9820 60.2619 73.0002 172.9133 74 T 4.5883 8.9734 119.9893 62.1748 71.7147 172.6608 75 C 4.8548 9.0224 125.6420 57.8437 30.6854 173.0577 76 F 5.2713 8.8601 123.5672 55.6851 40.8962 175.0606 77 L 5.1154 9.0458 122.9655 52.9542 44.9891 176.7585 78 A 4.5792 8.1102 120.7276 51.5103 19.7167 176.9005 79 D 4.0954 7.0802 115.1839 53.6849 43.2507 175.1409 *81 E 4.2571 8.6976 114.6607 56.4077 31.5692 176.4979 82 D 4.7556 7.8256 117.8852 54.1395 41.0216 178.1258 83 F 4.3891 7.8058 120.2316 60.2385 39.0252 175.5371 84 P 4.4261 0.0000 0.0000 65.6956 30.7777 178.9957 85 G 3.7072 8.1675 104.0648 47.5763 0.0000 175.4203 86 F 4.2214 8.4199 122.9232 61.3157 39.4601 176.6873 87 N 4.1060 8.4232 116.7312 56.6224 38.4078 176.2156 88 E 3.9223 7.9941 119.8405 59.3186 30.0590 178.8476 89 V 3.7914 7.4679 117.3156 66.2239 31.6497 177.0649 90 Y 3.9057 8.0657 119.4770 60.9521 38.1378 178.2237 91 A 4.2355 8.5301 121.6416 55.2801 18.2459 179.8078 92 R 3.9532 7.9632 115.6393 58.9417 30.1388 177.9724 93 Y 3.9364 7.6538 114.3787 57.4901 38.5012 175.3294 94 F 5.1084 7.1577 116.3390 55.8154 42.3375 174.5002 95 T 4.5357 8.0478 118.1551 60.6383 72.1735 172.3515 96 P 3.8273 0.0000 0.0000 61.9298 31.8670 174.8510 97 P 4.3334 0.0000 0.0000 62.4851 31.9950 175.9971 98 Y 4.4228 8.1824 120.0001 56.7303 38.9724 173.6018 99 P 4.6056 0.0000 0.0000 62.1045 32.5693 176.2693 100 A 4.2937 8.8336 123.9568 52.4291 19.5199 176.6692 101 R 5.1705 8.2306 118.3699 54.9469 33.8346 174.0525 102 A 4.8049 8.5938 124.3112 50.3613 22.6178 175.1969 103 T 4.9642 8.3758 111.4932 60.0950 71.8051 173.6411 104 V 4.8258 8.9856 117.2214 59.8809 36.9659 173.7269 105 A 4.9457 8.8058 124.3001 50.7577 19.9127 177.2390 106 V 4.1185 9.2079 117.6287 59.9281 34.0692 177.7096 107 K 3.8666 8.6511 121.8732 59.4101 32.1808 176.4734 108 A 4.5106 7.2967 117.2511 51.2510 21.8918 174.7120 109 L 4.7438 7.9184 118.8035 51.5289 45.2948 174.4991 110 P 4.3278 0.0000 0.0000 64.7391 31.4834 177.0288 111 R 3.9005 9.5279 119.8429 57.0953 27.5825 177.0766 112 G 3.8398 8.2340 103.6829 45.8072 0.0000 174.8275 113 V 3.7823 7.2302 118.7760 63.0490 32.3106 176.0012 114 R 4.4423 9.3228 122.2267 57.7339 31.5573 177.0228 115 V 4.9419 7.5383 117.1486 60.1442 35.2483 173.8092 116 E 5.4123 9.1879 123.0937 54.2142 33.3755 173.8639 117 V 4.7590 8.7025 125.7807 61.1823 34.6599 174.0002 118 A 5.3297 8.8572 129.3524 50.7954 22.4835 174.4264 119 C 5.1374 8.4086 112.9506 57.5724 33.9227 172.8806 120 V 4.7940 8.9710 118.5549 61.1707 34.4495 174.0782 121 A 5.3296 8.8786 128.1345 49.9814 23.2880 174.4556 122 L 4.5264 8.5438 118.9364 54.3714 42.4782 177.4688 123 A 4.4546 8.6778 125.3112 51.0029 20.6968 177.4050 124 E 4.1363 8.4414 117.2609 56.6061 29.8244 176.5835 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 2 E 8.30 4.41 0.00 2.10 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 2.30 2.35 0.00 3 A 8.60 4.78 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 4 V 9.39 4.14 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 0.96 0.00 0.00 0.98 0.00 0.00 5 K 8.46 5.16 0.00 1.74 1.61 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.42 7.81 6 T 9.62 4.69 4.26 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 1.34 0.00 0.00 7 D 8.68 4.76 0.00 2.83 2.74 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 8 R 7.99 4.42 0.00 1.85 2.00 0.00 3.14 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 9 A 7.46 4.75 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 10 P 0.00 4.39 0.00 2.24 2.29 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 11 A 8.43 4.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.15 4.32 0.76 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 0.00 0.00 13 I 8.38 3.97 1.94 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 1.35 0.80 0.92 0.00 0.00 14 G 7.44 4.29 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 0.00 15 P 0.00 4.63 0.00 2.24 2.16 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 16 Y 7.00 4.83 0.00 3.22 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 17 A 8.33 4.75 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 18 Q 8.81 4.48 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 19 A 7.84 5.24 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 20 V 9.04 4.89 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 1.08 0.00 0.00 1.01 0.00 0.00 21 K 9.20 5.12 0.00 1.69 1.78 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.42 7.81 22 A 9.68 4.62 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 23 G 9.97 4.22 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 0.00 24 G 8.31 3.69 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 0.00 0.00 0.00 25 F 7.99 5.13 0.00 2.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 27 F 9.74 4.88 0.00 3.04 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 28 V 8.68 4.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 29 S 9.14 4.46 0.00 3.96 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 30 G 8.55 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 0.00 0.00 0.00 31 Q 9.25 4.78 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 32 I 7.99 4.99 1.88 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 1.36 1.09 0.90 0.00 0.00 33 P 0.00 4.70 0.00 2.11 2.11 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 34 L 7.69 4.98 0.00 1.64 1.59 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 4.42 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 36 P 0.00 4.44 0.00 2.06 2.38 0.00 3.69 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 2.05 2.25 0.00 37 D 8.12 4.58 0.00 2.79 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 38 G 8.58 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.75 4.44 0.00 3.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.46 4.52 0.00 1.69 1.61 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.91 4.14 2.20 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 0.83 0.00 0.00 0.95 0.00 0.00 42 E 8.82 4.20 0.00 2.01 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 2.31 2.31 0.00 43 G 8.32 4.18 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 0.00 44 D 8.12 4.68 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.32 3.75 2.20 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 1.95 1.61 0.97 0.00 0.00 46 R 8.05 3.95 0.00 2.09 2.00 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 47 V 8.17 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.01 0.00 0.00 48 Q 8.19 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 49 T 8.19 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 50 E 7.98 4.09 0.00 2.25 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 0.00 2.49 2.55 0.00 51 R 7.69 4.09 0.00 1.96 2.08 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 52 V 7.59 3.76 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 1.16 0.00 0.00 1.12 0.00 0.00 *54 E 8.17 4.30 0.00 2.26 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 2.69 2.34 0.00 55 N 8.41 4.42 0.00 2.89 2.89 0.00 0.00 7.00 6.58 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 56 L 8.17 4.04 0.00 1.63 1.74 1.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.01 3.92 0.00 1.98 1.87 0.00 1.91 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 58 A 7.96 3.97 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 59 V 7.87 3.55 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 1.14 0.00 0.00 1.01 0.00 0.00 60 L 8.20 4.04 0.00 1.92 1.82 0.99 1.18 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 61 E 9.01 4.21 0.00 2.17 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 2.33 2.30 0.00 62 A 8.01 4.03 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 63 A 7.69 4.26 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 64 G 8.12 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 0.00 0.00 0.00 65 S 7.76 4.93 0.00 3.82 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 66 G 8.01 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 67 L 8.09 4.16 0.00 1.64 1.54 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.08 4.43 0.00 3.98 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 69 R 7.95 4.38 0.00 2.02 1.99 0.00 3.28 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 70 V 7.55 4.16 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 0.82 0.00 0.00 1.16 0.00 0.00 71 V 8.76 4.29 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 0.74 0.00 0.00 1.03 0.00 0.00 72 Q 7.77 5.20 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 73 T 8.94 5.15 4.42 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 1.28 0.00 0.00 74 T 8.97 4.59 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 0.73 0.00 0.00 75 C 9.02 4.85 0.00 2.53 2.36 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 76 F 8.86 5.27 0.00 2.92 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 77 L 9.05 5.12 0.00 1.02 1.17 0.42 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.11 4.58 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.08 4.10 0.00 2.64 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 *81 E 8.70 4.26 0.00 2.33 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 2.22 2.29 0.00 82 D 7.83 4.76 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.81 4.39 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.43 0.00 2.22 2.15 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 85 G 8.17 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 86 F 8.42 4.22 0.00 3.14 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 87 N 8.42 4.11 0.00 3.08 3.01 0.00 0.00 6.92 7.31 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 88 E 7.99 3.92 0.00 2.13 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 0.00 2.36 2.35 0.00 89 V 7.47 3.79 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 1.07 0.00 0.00 1.09 0.00 0.00 90 Y 8.07 3.91 0.00 2.36 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 91 A 8.53 4.24 1.47 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 92 R 7.96 3.95 0.00 1.71 1.74 0.00 3.16 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 93 Y 7.65 3.94 0.00 2.33 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 0.00 0.00 0.00 0.00 94 F 7.16 5.11 0.00 3.34 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 95 T 8.05 4.54 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 1.10 0.00 0.00 96 P 0.00 3.83 0.00 1.90 1.87 0.00 3.48 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 97 P 0.00 4.33 0.00 2.01 1.96 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 98 Y 8.18 4.42 0.00 2.97 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 99 P 0.00 4.61 0.00 1.75 1.88 0.00 3.34 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.98 0.00 100 A 8.83 4.29 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 0.00 101 R 8.23 5.17 0.00 1.72 1.65 0.00 2.67 0.00 0.00 2.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 102 A 8.59 4.80 1.11 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 0.00 0.00 103 T 8.38 4.96 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 1.12 0.00 0.00 104 V 8.99 4.83 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 0.66 0.00 0.00 1.08 0.00 0.00 105 A 8.81 4.95 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 0.00 106 V 9.21 4.12 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 0.87 0.00 0.00 0.96 0.00 0.00 107 K 8.65 3.87 0.00 1.69 1.80 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 108 A 7.30 4.51 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.92 4.74 0.00 1.78 1.49 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.33 0.00 2.12 1.95 0.00 3.73 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 2.02 2.04 0.00 111 R 9.53 3.90 0.00 1.94 2.00 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 112 G 8.23 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 0.00 113 V 7.23 3.78 2.20 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 0.91 0.00 0.00 0.96 0.00 0.00 114 R 9.32 4.44 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 115 V 7.54 4.94 2.09 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 0.84 0.00 0.00 0.98 0.00 0.00 116 E 9.19 5.41 0.00 2.06 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 2.36 2.13 0.00 117 V 8.70 4.76 2.25 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 1.23 0.00 0.00 1.25 0.00 0.00 118 A 8.86 5.33 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 0.00 119 C 8.41 5.14 0.00 3.19 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 0.00 120 V 8.97 4.79 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 0.63 0.00 0.00 0.99 0.00 0.00 121 A 8.88 5.33 1.24 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 0.00 0.00 122 L 8.54 4.53 0.00 1.51 1.47 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.68 4.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.44 4.14 0.00 1.94 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 2.28 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.