NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8469 8.4293 120.3946 56.4101 31.6296 173.3712 6 H 4.5737 7.7850 121.4937 52.8496 29.1563 173.6462 7 N 4.2538 9.4977 119.0829 54.5512 38.1725 175.7238 8 A 4.2535 7.6103 120.5362 50.9204 19.4227 176.3653 9 S 4.4986 7.9472 114.4986 57.4854 65.1784 175.1410 10 T 4.5157 8.0246 115.7248 61.2586 70.6551 172.7328 11 A 5.0636 8.4300 122.1587 50.0728 22.3885 175.2330 12 R 4.4817 8.5768 120.6434 54.4647 32.6396 174.8016 13 F 5.2670 8.6514 123.8729 55.9374 42.0760 174.4028 14 Y 4.9034 9.2366 118.6487 56.1855 41.5822 174.2884 15 A 5.3635 8.8040 124.9936 50.1190 21.4519 175.3740 16 L 4.6361 8.6866 121.1875 54.4268 44.6050 174.5947 17 R 4.9534 8.2873 119.4665 54.6770 32.2939 174.6357 18 L 4.5501 9.0662 126.5352 54.0560 43.9383 175.9974 19 L 4.6468 9.0293 121.6103 52.3737 44.3263 174.5879 20 P 4.4857 0.0000 0.0000 64.5803 31.6390 177.1328 21 G 4.0466 9.0642 111.5461 45.5285 0.0000 174.0812 22 Q 4.1726 7.7406 118.9519 55.5215 29.7681 174.5942 23 E 4.8004 8.5064 121.6600 55.0337 31.3552 177.1478 24 V 3.5944 8.7257 126.9416 66.2430 31.7596 177.9918 25 F 3.9205 8.6624 117.1814 60.7616 38.8318 177.7108 26 S 4.2428 9.6077 114.7402 61.7197 62.7516 176.5676 27 Q 4.0505 8.1063 121.2524 58.5251 28.3978 178.6193 28 L 3.9721 8.2248 120.4147 58.0834 41.5768 179.0601 29 H 4.1143 8.4255 117.9922 59.0807 29.7084 177.1592 30 A 3.9487 8.2337 122.7630 55.1000 18.2279 179.4228 31 F 3.8921 8.3715 119.2213 61.2405 39.4682 177.5688 32 V 3.4550 8.0139 118.0534 66.0323 31.3035 178.1251 33 Q 3.8606 8.1666 118.0593 58.9241 28.3344 178.3232 34 Q 3.8798 8.0543 119.8427 58.5137 29.0905 177.2357 35 N 4.5199 7.3775 113.8604 51.4990 39.7180 174.6517 36 Q 3.2636 7.4647 118.2495 56.7037 27.1045 174.5956 37 L 4.2416 7.7771 117.4501 55.0366 42.6338 178.4083 38 R 4.4826 9.1004 120.9344 56.2344 32.5212 175.8906 39 A 3.9099 8.3179 119.5679 50.3879 20.7838 174.8004 40 A 5.5377 8.8422 124.3215 49.7374 23.3259 175.4169 41 W 5.5857 8.7874 114.6557 55.4230 32.1701 174.2543 42 I 4.2531 8.6242 122.7017 60.9683 36.2094 175.9153 43 A 4.4113 8.4208 130.0632 53.4292 19.5221 177.4139 44 G 4.0748 7.7320 99.3525 45.9246 0.0000 172.3395 45 C 5.2875 8.5605 121.4082 58.6067 34.6373 172.7673 46 T 4.6222 8.7908 119.5372 60.3267 71.2087 174.1301 47 G 3.9033 7.6349 111.8103 46.1333 0.0000 170.9617 48 S 5.1668 8.0664 113.1815 56.8600 66.9764 173.2373 49 L 5.3001 9.1250 120.2821 54.0634 45.8780 176.5036 50 T 4.7885 9.0568 115.7462 64.5495 70.6678 174.0359 51 D 5.3757 8.1341 121.3199 52.8529 43.3553 175.5058 52 V 4.5703 9.0308 121.8132 60.9237 35.0580 173.8983 53 A 5.0952 8.6014 128.5998 50.1959 21.0223 175.1259 54 L 4.8437 8.6563 121.7275 53.2089 46.5116 176.0144 55 R 4.4291 8.8279 123.2629 54.5798 31.8674 175.3867 56 Y 4.7433 8.1058 124.0723 57.1414 38.7654 175.1676 57 A 3.9834 8.6800 123.9294 54.1894 18.4155 178.5705 58 G 3.9383 8.8332 110.2066 45.9316 0.0000 173.3798 59 Q 4.4860 7.9529 118.4626 54.7563 30.2797 175.2518 60 E 4.1690 8.6102 120.5152 58.0402 30.5181 176.9342 61 A 4.1721 7.6776 119.7550 52.2430 19.1751 176.2547 62 T 4.4294 8.0940 117.2171 62.7187 70.2621 174.4422 63 T 4.3287 8.8530 123.4596 62.3279 70.2403 173.7543 64 S 5.1574 8.5717 122.7270 56.8350 64.8228 173.6101 65 L 5.0510 9.0543 124.1547 53.3205 45.9233 175.6910 66 T 5.1698 8.8480 116.5469 60.9530 72.1859 175.0355 67 G 3.9871 8.3629 113.9877 46.8847 0.0000 173.7266 68 T 4.6424 7.8431 123.5512 61.8095 70.6644 173.2700 69 F 5.2489 9.1374 124.9018 55.5876 43.4009 174.1316 70 E 5.0207 9.0842 120.6027 54.6564 32.2502 175.4599 71 V 4.1038 8.7036 124.8290 62.7488 31.4503 175.6243 72 I 4.3188 8.7805 130.2464 63.6085 38.1999 176.7596 73 S 4.6759 7.6370 113.9533 57.1186 66.1638 173.8026 74 L 5.0744 8.5416 123.8223 53.7872 44.3787 174.8588 75 N 5.1465 10.1165 123.5440 51.4859 43.1702 174.5126 76 G 4.9023 8.3745 106.3841 44.8063 0.0000 171.9774 77 T 5.4326 7.8942 109.9984 60.2772 71.9999 173.3078 78 L 5.0973 9.0606 121.3652 55.3953 43.8862 173.8150 79 E 4.7059 9.3894 118.0292 55.6883 32.9924 175.6316 80 L 3.9827 8.0860 119.9831 58.0027 41.5078 179.9444 81 T 4.6771 7.3693 106.1334 60.8223 69.2942 173.2207 82 G 3.9695 7.8495 108.8580 46.9240 0.0000 172.3484 83 E 5.1295 8.4477 116.1181 56.5660 32.1725 175.7420 84 H 4.7611 8.9151 120.4589 55.6376 32.0217 171.5452 85 L 5.3667 8.5323 124.6486 53.0210 44.9042 175.6918 86 H 5.3128 9.4131 119.9634 53.9701 32.2902 172.7834 87 L 5.3600 9.0061 122.9849 53.2277 45.7748 174.8868 88 A 5.2351 9.0456 126.2957 50.3266 21.8258 175.4419 89 V 5.1158 8.8212 115.7615 59.4846 35.4469 175.3367 90 S 5.2575 9.1464 117.3510 56.8564 66.3917 173.1304 91 D 5.3805 8.6704 121.5332 51.0330 42.1228 175.0241 92 P 4.1050 0.0000 0.0000 64.8372 31.1503 176.6985 93 Y 4.4973 8.6598 114.8983 57.3360 38.5220 176.7550 94 G 3.9381 8.5484 109.5659 45.0689 0.0000 174.1069 95 V 3.8689 7.4992 119.4817 62.5192 33.6780 174.0790 *97 L 4.3696 8.3536 119.5569 54.7806 42.9695 176.6260 98 G 4.4219 8.4746 108.3883 44.8142 0.0000 172.2450 99 G 4.1883 7.9595 107.6399 45.8897 0.0000 172.6199 100 H 4.7155 7.9668 125.6028 55.4647 29.3128 173.1230 *103 P 3.9968 0.0000 0.0000 62.6778 32.1281 175.3859 104 G 3.5121 8.5621 110.2159 45.2876 0.0000 173.5466 105 C 4.7172 8.1343 120.2846 59.3797 29.4968 172.4886 106 T 5.0995 8.6320 114.5894 59.4439 71.2699 173.9829 107 V 3.8268 8.7997 125.7189 63.6149 32.2416 175.6454 108 R 4.3012 8.9826 129.5209 57.7879 29.1994 176.8468 109 T 4.5053 7.9423 109.5283 62.8502 71.2972 173.3544 110 T 4.3226 7.3592 113.4443 61.9953 71.1668 171.9947 111 L 4.8287 7.8590 126.6075 53.9534 45.2685 174.0851 112 E 5.0253 9.6085 127.4736 54.9803 31.5126 175.4934 113 L 5.2496 8.9321 123.7349 52.8455 46.5549 175.6812 114 V 4.7025 8.7560 122.3796 61.3365 34.1569 174.0658 115 I 4.6236 9.0177 129.8105 59.4689 39.6794 175.1104 116 G 3.0823 7.8148 114.0467 44.1934 0.0000 172.0677 117 E 5.1302 8.6606 123.5826 54.1851 33.3611 174.7721 118 L 4.9995 8.6382 127.2009 51.5650 41.7042 175.2719 119 P 4.1527 0.0000 0.0000 64.9246 31.6634 177.5002 120 A 4.3544 8.0643 119.4854 52.4086 19.0676 176.0207 121 L 5.4491 7.6568 114.7203 53.0120 45.9136 176.2069 122 T 4.6712 8.8636 116.0467 62.1936 72.4586 173.4630 123 F 5.5070 9.3281 125.8769 56.6593 40.8184 175.2048 124 S 4.7670 8.9802 115.7527 57.4029 67.2583 172.8865 125 R 5.0400 8.6150 118.7879 54.8001 31.8410 175.4966 126 Q 4.8714 8.7852 123.5342 52.7542 32.4196 173.6887 127 P 4.7511 0.0000 0.0000 63.4841 32.0719 174.8469 128 C 4.6415 8.9756 124.8921 57.5513 32.5108 174.4313 129 A 4.0208 8.7934 129.4538 54.7484 18.5762 178.5963 130 I 3.9591 7.7908 116.4119 64.2060 37.5308 177.4939 131 S 4.2120 8.0132 112.8125 58.9293 63.4635 175.2499 132 G 3.6248 8.5563 108.0069 45.1385 0.0000 171.8436 133 Y 5.0171 7.4814 115.8841 55.6487 42.7798 174.2489 134 D 4.8863 8.8343 120.7573 54.4756 41.6061 175.9785 135 E 4.8091 9.2737 122.6881 53.6332 33.8588 175.0910 136 L 4.3878 8.4748 123.1481 55.9270 42.7518 175.4659 137 H 4.9818 9.3970 126.2370 54.3443 32.8623 172.0587 138 I 5.1818 8.1833 125.9682 59.6072 39.4132 174.8246 139 S 4.7682 8.8028 120.5749 56.1373 67.1508 173.1520 140 S 4.5791 8.5791 114.9154 58.3343 62.2188 174.0262 141 R 4.1271 8.6653 127.0436 58.2676 30.6422 176.4739 142 L 4.2678 7.5265 122.8869 54.7777 41.7700 176.1512 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 5 H 8.43 4.85 0.00 3.06 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.78 4.57 0.00 3.35 3.26 0.00 5.73 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 7 N 9.50 4.25 0.00 2.95 3.01 0.00 0.00 5.83 7.26 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 8 A 7.61 4.25 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 9 S 7.95 4.50 0.00 3.76 3.66 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 10 T 8.02 4.52 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 11 A 8.43 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.58 4.48 0.00 1.76 1.64 0.00 2.90 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.38 0.00 13 F 8.65 5.27 0.00 2.85 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 14 Y 9.24 4.90 0.00 3.01 3.09 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 15 A 8.80 5.36 1.19 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 0.00 0.00 16 L 8.69 4.64 0.00 1.52 1.50 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.29 4.95 0.00 1.76 1.78 0.00 3.22 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 18 L 9.07 4.55 0.00 1.57 1.54 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.03 4.65 0.00 1.57 1.57 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.49 0.00 2.04 2.17 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 21 G 9.06 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.74 4.17 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 23 E 8.51 4.80 0.00 2.02 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 2.49 2.31 0.00 24 V 8.73 3.59 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 1.08 0.00 0.00 1.01 0.00 0.00 25 F 8.66 3.92 0.00 3.37 3.14 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 26 S 9.61 4.24 0.00 4.03 4.23 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 0.00 0.00 0.00 0.00 27 Q 8.11 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 28 L 8.22 3.97 0.00 1.69 1.61 0.75 1.10 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 29 H 8.43 4.11 0.00 3.26 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.23 3.95 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 31 F 8.37 3.89 0.00 3.22 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 32 V 8.01 3.46 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 0.90 0.00 0.00 0.98 0.00 0.00 33 Q 8.17 3.86 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 34 Q 8.05 3.88 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 35 N 7.38 4.52 0.00 2.09 2.41 0.00 0.00 7.24 7.71 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 36 Q 7.46 3.26 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 37 L 7.78 4.24 0.00 1.63 1.66 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.10 4.48 0.00 1.60 1.87 0.00 3.28 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 A 8.32 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.84 5.54 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 41 W 8.79 5.59 0.00 3.58 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 42 I 8.62 4.25 2.00 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 1.36 0.82 0.92 0.00 0.00 43 A 8.42 4.41 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 44 G 7.73 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 0.00 0.00 0.00 45 C 8.56 5.29 0.00 2.93 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 46 T 8.79 4.62 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 47 G 7.63 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 48 S 8.07 5.17 0.00 3.94 4.04 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 49 L 9.12 5.30 0.00 1.64 1.80 0.90 1.06 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 50 T 9.06 4.79 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 1.26 0.00 0.00 51 D 8.13 5.38 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 52 V 9.03 4.57 1.65 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 0.74 0.00 0.00 0.36 0.00 0.00 53 A 8.60 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.66 4.84 0.00 1.25 1.36 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.83 4.43 0.00 1.75 1.78 0.00 3.12 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 56 Y 8.11 4.74 0.00 3.06 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 57 A 8.68 3.98 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.83 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.95 4.49 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 60 E 8.61 4.17 0.00 1.89 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 2.23 2.33 0.00 61 A 7.68 4.17 1.21 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 0.00 0.00 62 T 8.09 4.43 4.14 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 1.11 0.00 0.00 63 T 8.85 4.33 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 1.18 0.00 0.00 64 S 8.57 5.16 0.00 3.69 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 65 L 9.05 5.05 0.00 1.42 1.65 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.85 5.17 4.31 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 1.32 0.00 0.00 67 G 8.36 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 68 T 7.84 4.64 4.03 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 0.00 0.00 0.00 1.13 0.00 0.00 69 F 9.14 5.25 0.00 3.01 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 70 E 9.08 5.02 0.00 1.91 1.86 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 2.24 2.38 0.00 71 V 8.70 4.10 2.27 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 0.76 0.00 0.00 0.96 0.00 0.00 72 I 8.78 4.32 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.94 0.00 0.00 73 S 7.64 4.68 0.00 3.89 3.94 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 0.00 0.00 0.00 74 L 8.54 5.07 0.00 1.61 1.56 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 N 10.12 5.15 0.00 2.68 2.69 0.00 0.00 6.56 7.21 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 76 G 8.37 4.90 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 77 T 7.89 5.43 4.39 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 1.20 0.00 0.00 78 L 9.06 5.10 0.00 1.69 1.75 0.87 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 79 E 9.39 4.71 0.00 2.10 2.22 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 2.28 2.77 0.00 80 L 8.09 3.98 0.00 1.61 1.83 0.90 0.97 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 81 T 7.37 4.68 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 82 G 7.85 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 83 E 8.45 5.13 0.00 2.01 1.86 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 2.09 1.80 0.00 84 H 8.92 4.76 0.00 3.20 3.15 0.00 5.54 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.53 5.37 0.00 1.55 1.53 0.62 1.09 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 86 H 9.41 5.31 0.00 3.02 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.01 5.36 0.00 1.75 1.47 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 88 A 9.05 5.24 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 89 V 8.82 5.12 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 0.69 0.00 0.00 0.76 0.00 0.00 90 S 9.15 5.26 0.00 3.90 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 91 D 8.67 5.38 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 92 P 0.00 4.10 0.00 1.45 1.80 0.00 3.44 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 93 Y 8.66 4.50 0.00 3.05 2.94 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 0.00 0.00 0.00 94 G 8.55 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.50 3.87 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 1.09 0.00 0.00 0.99 0.00 0.00 *97 L 8.35 4.37 0.00 1.73 1.70 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.47 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 0.00 0.00 0.00 0.00 99 G 7.96 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 0.00 0.00 0.00 0.00 100 H 7.97 4.72 0.00 3.20 3.18 0.00 5.81 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 P 0.00 4.00 0.00 1.86 1.79 0.00 3.29 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.00 104 G 8.56 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.13 4.72 0.00 2.94 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 0.00 106 T 8.63 5.10 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 1.30 0.00 0.00 107 V 8.80 3.83 2.27 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 1.01 0.00 0.00 1.00 0.00 0.00 108 R 8.98 4.30 0.00 1.98 1.88 0.00 3.27 0.00 0.00 3.38 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 109 T 7.94 4.51 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 1.21 0.00 0.00 110 T 7.36 4.32 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 1.21 0.00 0.00 111 L 7.86 4.83 0.00 1.75 1.44 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 E 9.61 5.03 0.00 1.99 1.81 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 2.23 2.25 0.00 113 L 8.93 5.25 0.00 1.35 1.35 0.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.76 4.70 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 0.95 0.00 0.00 0.87 0.00 0.00 115 I 9.02 4.62 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.39 0.91 0.00 0.00 116 G 7.81 3.08 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 0.00 117 E 8.66 5.13 0.00 2.11 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 2.24 2.28 0.00 118 L 8.64 5.00 0.00 1.44 1.55 0.89 1.19 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 0.00 119 P 0.00 4.15 0.00 2.01 2.11 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 2.00 2.07 0.00 120 A 8.06 4.35 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 0.00 121 L 7.66 5.45 0.00 1.36 1.55 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.86 4.67 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 1.23 0.00 0.00 123 F 9.33 5.51 0.00 2.95 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 0.00 124 S 8.98 4.77 0.00 3.92 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 0.00 125 R 8.62 5.04 0.00 1.71 1.92 0.00 3.33 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 126 Q 8.79 4.87 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 127 P 0.00 4.75 0.00 2.06 2.16 0.00 3.74 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 1.97 1.97 0.00 128 C 8.98 4.64 0.00 3.03 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 0.00 129 A 8.79 4.02 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 0.00 130 I 7.79 3.96 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 1.47 0.45 0.91 0.00 0.00 131 S 8.01 4.21 0.00 4.13 4.05 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 0.00 0.00 0.00 132 G 8.56 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 0.00 133 Y 7.48 5.02 0.00 3.11 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 0.00 134 D 8.83 4.89 0.00 2.61 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 0.00 135 E 9.27 4.81 0.00 1.81 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 2.49 2.40 0.00 136 L 8.47 4.39 0.00 1.51 1.47 0.41 0.42 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 0.00 137 H 9.40 4.98 0.00 3.22 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.18 5.18 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 1.08 0.00 0.00 139 S 8.80 4.77 0.00 3.86 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 0.00 140 S 8.58 4.58 0.00 3.92 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 0.00 141 R 8.67 4.13 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.05 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 142 L 7.53 4.27 0.00 1.62 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.