NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 4.9873 8.3244 119.3998 57.1270 40.5961 174.6999 7 D 4.3396 8.5788 123.1075 53.7876 42.0147 175.7420 8 D 4.4912 9.6722 128.6100 57.3499 41.1692 178.4270 9 K 3.9869 8.5135 119.3340 59.3132 32.1152 179.3531 10 L 3.9422 7.7022 118.8806 57.6056 41.6177 179.1846 11 L 3.7890 8.0441 118.7609 57.6681 41.5425 179.4552 12 A 4.0171 8.2811 120.9754 54.8882 18.0394 179.7578 13 V 3.5085 7.2308 116.1084 66.2859 31.3816 178.0025 14 I 3.7048 7.3490 119.0084 64.4227 36.6269 178.3472 15 S 4.5341 8.1308 113.1731 61.1931 62.3430 175.5726 16 G 3.9692 7.9559 105.2308 44.3601 0.0000 171.9119 17 N 5.1442 7.6323 117.8325 51.7967 42.3191 173.7798 18 S 3.8084 8.1420 109.5465 57.4386 65.6574 173.3199 19 I 5.1630 7.7884 113.6552 59.8882 40.6875 174.6395 20 G 4.1092 8.9161 109.4309 46.0753 0.0000 171.6192 21 V 4.7137 8.6733 120.6905 61.3223 33.0285 174.6863 22 L 4.8570 8.9414 131.2017 54.1350 43.9321 175.0320 23 A 5.3059 9.1463 127.8872 50.4450 21.8813 175.1593 24 T 4.8856 8.6511 112.1022 60.0555 72.8999 172.7887 25 I 4.7062 8.0836 122.0445 59.5004 38.7277 176.6201 26 K 4.4703 8.9770 127.2879 55.6783 33.0373 177.4617 27 H 4.0215 8.4847 120.4012 59.6864 29.4981 175.8412 28 D 4.4133 7.9742 114.6990 53.6227 39.6166 176.7428 29 G 4.0144 8.0506 109.0022 45.3027 0.0000 174.4883 30 R 4.2323 8.2881 119.3654 55.2923 31.2880 174.6414 31 P 4.8483 0.0000 0.0000 62.7713 32.5271 175.3181 32 Q 4.6437 9.2538 124.9392 54.4617 31.0058 174.2023 33 L 5.7052 8.6323 125.5309 52.5425 44.7610 175.7091 34 S 4.6724 8.2355 114.4841 57.4520 66.3883 172.7594 35 N 5.2283 8.6692 119.1172 52.8525 39.3687 175.0001 36 V 4.6605 8.8825 116.3589 59.6189 36.3977 174.8131 37 Q 5.0089 8.7007 121.4812 55.6555 29.8286 174.7317 38 Y 5.2223 8.3413 119.6422 55.8418 41.9056 173.5450 39 H 5.0759 9.5385 120.3444 54.4085 32.6731 172.4238 40 F 5.4275 8.8197 127.2622 56.5560 41.6048 173.8377 41 D 4.5046 8.7601 127.3965 51.9934 41.4318 175.1222 42 P 3.6242 0.0000 0.0000 64.3621 32.0839 177.9933 43 R 4.1246 7.9368 117.7364 58.7703 30.4022 177.7969 44 K 4.0485 8.2413 114.7129 56.5827 33.1210 176.6770 45 L 3.8078 7.8378 119.1933 55.2920 39.2348 172.8824 46 L 5.3378 7.1057 118.2543 54.3393 45.1396 176.7618 47 I 5.2657 8.6945 120.0024 59.7434 40.8595 174.6393 48 Q 5.2232 9.5181 124.7215 54.3850 32.2739 175.0075 49 V 5.0382 8.9460 115.5774 59.7407 36.6351 174.2344 50 S 5.4729 8.7885 117.0959 56.6982 65.3491 173.2918 51 I 4.8506 8.5803 114.8385 58.7626 41.1727 174.4749 52 A 4.4750 8.6121 125.3076 51.6534 19.1897 176.9923 53 E 4.0104 8.5697 122.3470 56.0384 29.9995 175.4718 54 P 4.4584 0.0000 0.0000 62.8711 31.8489 175.4554 55 R 4.6384 7.8651 117.6633 54.6589 35.1525 175.5526 56 A 3.8293 8.4446 120.7873 52.8631 17.1407 179.9499 57 K 4.0692 8.5933 110.7511 61.2155 33.0748 179.7517 58 T 3.9571 7.6893 115.6274 66.1428 68.1125 176.3128 59 R 3.9530 8.1075 120.8391 59.1398 29.8726 177.6487 60 N 4.2875 8.3309 116.3245 56.3205 38.4991 175.8291 61 L 4.1674 7.6602 122.3874 57.6790 42.1060 178.7012 62 R 4.1717 8.3493 116.6369 57.5573 30.1182 177.1204 63 R 4.5314 7.8141 112.7874 55.6973 31.3164 175.3589 64 D 4.6264 8.3073 118.3916 51.9625 41.6698 172.3525 65 P 4.8696 0.0000 0.0000 62.5233 32.8705 175.8360 66 R 4.6164 7.8688 120.1279 56.9325 30.4787 175.9773 67 A 4.9709 8.8938 124.1116 50.9846 23.2659 174.9987 68 S 5.1664 8.8836 114.4476 56.9150 68.1731 173.1050 69 I 4.9500 8.5526 121.4986 59.3136 41.3020 173.4775 70 L 4.9515 8.8497 131.8219 53.5083 44.1739 175.0240 71 V 4.7157 8.7137 125.9947 61.0171 34.3497 174.3344 72 D 4.8963 8.8482 127.5542 54.3260 41.7185 176.4109 73 A 4.5097 8.4584 124.9052 51.3938 20.2589 176.9014 74 D 4.6968 8.6890 115.7913 53.3685 40.2940 176.4208 75 D 4.9163 7.5441 120.6471 52.5023 41.5608 175.5832 76 G 3.5655 8.7138 106.4148 48.5003 0.0000 174.4377 77 W 4.8684 7.8325 117.3223 55.4578 31.4938 176.2983 78 S 4.7356 8.4910 115.5197 59.1907 63.5564 172.7793 79 Y 4.8834 8.1425 118.1756 56.4575 41.6026 172.8257 80 A 4.8818 8.8782 121.6542 50.0469 22.8998 175.1408 81 V 4.5547 8.6314 120.6960 60.8240 34.4404 174.0211 82 A 4.8478 8.4743 129.6748 50.1316 21.3735 175.0106 83 E 4.9304 8.6706 123.1371 54.7214 33.3981 175.3360 84 G 4.0988 8.3368 110.8572 47.2552 0.0000 171.2243 85 T 5.0028 8.5317 116.7338 61.5113 69.9144 174.8885 86 A 4.4326 8.9845 129.8270 52.0213 19.5049 176.3842 87 Q 4.6664 9.2467 120.7551 54.1405 31.2439 174.7132 88 L 5.3356 8.4177 123.4792 52.9454 44.3342 176.5947 89 T 4.2939 8.2954 113.2395 60.5629 69.9022 172.5672 90 P 4.6048 0.0000 0.0000 61.8817 32.1317 174.6923 91 P 4.6717 0.0000 0.0000 62.4192 32.2390 175.9945 92 A 4.1363 8.7710 124.3693 52.8517 18.1168 177.4011 93 A 4.5657 9.3679 123.1481 51.4444 21.2246 175.9485 94 A 4.7494 7.7937 117.5842 49.5976 22.2069 175.2738 95 P 4.3799 0.0000 0.0000 64.7930 31.5217 176.8945 96 D 4.8471 7.9003 117.0617 52.8182 39.8264 176.1582 97 D 4.6660 7.9652 121.1665 53.2032 41.7346 176.7192 98 D 4.3836 8.5371 119.2296 57.7105 40.6622 179.2605 99 T 3.8683 7.8957 115.8042 66.6553 68.5187 176.6423 100 V 3.6069 8.1976 120.0941 66.0378 31.5358 177.7591 101 E 3.8845 8.2593 118.1165 59.4800 29.2963 179.2885 102 A 4.0311 8.1343 120.6592 55.1718 18.3569 179.7303 103 L 4.1740 8.1978 117.6002 57.7555 41.6586 179.7852 104 I 3.6461 8.3615 120.2886 64.3189 36.9669 178.2471 105 A 3.9673 7.9548 121.6358 54.9107 18.1439 179.4905 106 L 3.8763 8.0579 118.9197 58.3938 42.2474 178.3203 107 Y 3.9485 8.3281 119.6566 61.0181 38.8241 178.4201 108 R 4.7387 8.3202 120.0577 59.0013 29.9617 178.7970 109 N 4.2765 8.1132 115.1885 56.1353 38.5295 177.2134 110 I 3.9399 7.5184 119.7695 63.2386 37.6527 176.7412 111 A 4.3847 7.8923 117.8990 50.7881 20.7749 177.7307 112 G 3.8139 7.8817 104.2485 44.8390 0.0000 172.0897 113 E 4.6028 8.6145 121.7766 55.8816 30.3393 176.9443 114 H 3.8821 7.5206 126.2793 55.5455 30.2206 175.0769 115 S 4.2190 7.8689 119.0954 59.5020 63.7073 174.6541 116 D 4.6331 7.1679 119.5058 52.1849 42.2733 175.0286 117 W 4.4096 8.2090 124.5277 59.2295 29.4353 177.3093 118 D 4.4700 8.2872 118.7475 57.1724 40.3369 177.9757 119 D 4.2913 8.3948 118.6183 57.4785 41.0577 177.4331 120 Y 4.0024 7.5882 118.5152 60.9145 38.7918 178.0520 121 R 4.0676 8.3151 117.6722 59.4151 30.4706 178.4165 122 Q 4.1259 8.0092 118.7009 58.9840 29.0280 179.4903 123 A 4.2434 7.8222 120.7126 52.0920 18.3823 179.5639 *125 V 3.8998 7.7753 121.7642 64.8863 33.2515 177.7057 126 T 3.8394 7.9312 114.8905 66.3511 68.2725 174.5353 127 D 4.5597 8.0372 118.1422 53.2787 41.7573 175.8383 128 R 3.9113 7.8046 116.3572 57.7433 28.4578 175.9998 129 R 4.5909 7.6779 116.9552 56.3586 31.9402 175.3439 130 V 4.6797 9.0519 125.7085 60.9700 34.9590 173.9360 131 L 4.8776 8.6852 129.6749 53.9679 43.5089 174.7527 132 L 4.9794 8.9907 130.0002 54.1525 43.8558 174.9825 133 T 4.9200 9.0309 123.9491 61.8696 71.1467 173.3356 134 L 4.9119 9.2283 129.5100 52.2203 43.1033 172.9169 135 P 4.7443 0.0000 0.0000 62.3754 32.6864 175.4345 136 I 4.2544 8.5998 126.1882 61.4215 36.9544 175.8891 137 S 4.8479 9.2272 123.8887 59.9972 64.5590 174.3440 138 H 5.2448 7.9130 117.7535 54.6711 33.4423 172.3682 139 V 4.7305 8.2864 123.8041 61.2500 34.3754 173.7386 140 Y 4.7187 8.9505 124.6831 55.5643 41.9659 173.4628 141 G 3.1500 7.8042 105.4813 44.4512 0.0000 173.5708 142 L 4.3826 7.2691 126.6206 52.1113 43.3809 174.8597 143 P 4.6701 0.0000 0.0000 61.4719 32.1601 174.7883 144 P 4.4967 0.0000 0.0000 62.2674 31.4585 174.8031 145 G 3.6064 7.8041 107.3626 46.7899 0.0000 174.0235 *147 R 4.0921 7.7813 121.4653 55.5409 29.7517 175.8211 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 F 8.32 4.99 0.00 3.10 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 7 D 8.58 4.34 0.00 2.83 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 8 D 9.67 4.49 0.00 2.76 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 9 K 8.51 3.99 0.00 2.08 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 10 L 7.70 3.94 0.00 1.75 1.56 0.84 0.53 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 11 L 8.04 3.79 0.00 1.91 1.85 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.28 4.02 1.40 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 0.00 0.00 13 V 7.23 3.51 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 0.87 0.00 0.00 0.92 0.00 0.00 14 I 7.35 3.70 1.22 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.12 0.00 0.00 15 S 8.13 4.53 0.00 4.18 4.12 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 16 G 7.96 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 17 N 7.63 5.14 0.00 2.72 2.84 0.00 0.00 6.87 7.51 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 18 S 8.14 3.81 0.00 3.55 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 19 I 7.79 5.16 1.95 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 1.15 0.76 0.88 0.00 0.00 20 G 8.92 4.11 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 0.00 21 V 8.67 4.71 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 1.03 0.00 0.00 0.98 0.00 0.00 22 L 8.94 4.86 0.00 1.80 1.52 0.97 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 23 A 9.15 5.31 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 24 T 8.65 4.89 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 1.22 0.00 0.00 25 I 8.08 4.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.91 0.00 0.00 26 K 8.98 4.47 0.00 2.04 1.75 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 27 H 8.48 4.02 0.00 3.15 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.97 4.41 0.00 2.83 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 29 G 8.05 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 0.00 0.00 0.00 30 R 8.29 4.23 0.00 1.93 1.86 0.00 3.14 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 31 P 0.00 4.85 0.00 1.94 1.99 0.00 3.65 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 2.03 2.09 0.00 32 Q 9.25 4.64 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 33 L 8.63 5.71 0.00 1.53 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.24 4.67 0.00 3.87 3.92 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 35 N 8.67 5.23 0.00 2.64 2.81 0.00 0.00 6.72 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 36 V 8.88 4.66 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 0.80 0.00 0.00 1.07 0.00 0.00 37 Q 8.70 5.01 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 38 Y 8.34 5.22 0.00 3.02 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 39 H 9.54 5.08 0.00 3.26 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.82 5.43 0.00 3.12 3.03 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 0.00 41 D 8.76 4.50 0.00 2.64 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 42 P 0.00 3.62 0.00 2.12 1.94 0.00 3.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 43 R 7.94 4.12 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 44 K 8.24 4.05 0.00 1.72 1.86 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.58 7.81 45 L 7.84 3.81 0.00 2.02 1.93 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.11 5.34 0.00 1.87 1.74 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.69 5.27 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.89 0.00 0.00 48 Q 9.52 5.22 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 49 V 8.95 5.04 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 0.90 0.00 0.00 0.98 0.00 0.00 50 S 8.79 5.47 0.00 3.99 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 51 I 8.58 4.85 1.89 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 1.19 0.85 0.94 0.00 0.00 52 A 8.61 4.47 1.33 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 0.00 0.00 53 E 8.57 4.01 0.00 2.12 1.91 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 2.33 2.33 0.00 54 P 0.00 4.46 0.00 2.32 2.05 0.00 3.77 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 2.00 2.00 0.00 55 R 7.87 4.64 0.00 1.84 1.82 0.00 3.28 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 A 8.44 3.83 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 57 K 8.59 4.07 0.00 1.97 2.12 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 58 T 7.69 3.96 4.38 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 1.22 0.00 0.00 59 R 8.11 3.95 0.00 1.90 2.05 0.00 3.11 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 60 N 8.33 4.29 0.00 2.91 3.01 0.00 0.00 6.84 6.66 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 61 L 7.66 4.17 0.00 1.76 1.79 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.35 4.17 0.00 1.94 1.98 0.00 3.33 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 63 R 7.81 4.53 0.00 1.88 2.01 0.00 2.99 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 64 D 8.31 4.63 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.87 0.00 2.34 2.25 0.00 3.76 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 2.06 2.00 0.00 66 R 7.87 4.62 0.00 1.78 1.94 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 67 A 8.89 4.97 1.23 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 0.00 0.00 68 S 8.88 5.17 0.00 3.77 3.68 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 0.00 0.00 0.00 69 I 8.55 4.95 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.48 0.65 0.00 0.00 70 L 8.85 4.95 0.00 1.67 1.44 0.62 0.71 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 71 V 8.71 4.72 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 1.05 0.00 0.00 0.67 0.00 0.00 72 D 8.85 4.90 0.00 2.62 2.59 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 0.00 0.00 0.00 0.00 73 A 8.46 4.51 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 74 D 8.69 4.70 0.00 2.75 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 75 D 7.54 4.92 0.00 2.82 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 76 G 8.71 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 0.00 0.00 0.00 0.00 77 W 7.83 4.87 0.00 3.33 3.28 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 78 S 8.49 4.74 0.00 4.02 3.98 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 79 Y 8.14 4.88 0.00 3.08 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 80 A 8.88 4.88 1.03 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 0.00 0.00 0.00 81 V 8.63 4.55 0.67 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 0.64 0.00 0.00 0.79 0.00 0.00 82 A 8.47 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.67 4.93 0.00 2.13 1.97 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 2.26 2.32 0.00 84 G 8.34 4.10 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 0.00 85 T 8.53 5.00 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 86 A 8.98 4.43 1.23 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 0.00 0.00 87 Q 9.25 4.67 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 88 L 8.42 5.34 0.00 1.50 1.56 0.94 0.94 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 89 T 8.30 4.29 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 1.27 0.00 0.00 90 P 0.00 4.60 0.00 1.96 2.03 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 91 P 0.00 4.67 0.00 2.07 2.23 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 92 A 8.77 4.14 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 93 A 9.37 4.57 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 94 A 7.79 4.75 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 95 P 0.00 4.38 0.00 2.19 2.20 0.00 3.71 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 1.99 1.95 0.00 96 D 7.90 4.85 0.00 2.75 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 97 D 7.97 4.67 0.00 2.99 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 98 D 8.54 4.38 0.00 2.71 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 99 T 7.90 3.87 4.40 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 1.32 0.00 0.00 100 V 8.20 3.61 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 1.19 0.00 0.00 1.02 0.00 0.00 101 E 8.26 3.88 0.00 2.16 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 2.47 2.44 0.00 102 A 8.13 4.03 1.40 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 0.00 0.00 103 L 8.20 4.17 0.00 2.01 1.98 0.93 0.73 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 0.00 104 I 8.36 3.65 1.78 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 1.18 0.91 -0.27 0.00 0.00 105 A 7.95 3.97 1.33 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 0.00 0.00 106 L 8.06 3.88 0.00 1.87 2.01 1.00 0.95 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 0.00 107 Y 8.33 3.95 0.00 3.11 3.20 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 0.00 108 R 8.32 4.74 0.00 2.14 2.05 0.00 3.13 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 109 N 8.11 4.28 0.00 2.76 2.39 0.00 0.00 7.10 6.97 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 0.00 110 I 7.52 3.94 1.65 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.56 0.74 0.00 0.00 111 A 7.89 4.38 0.60 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 0.00 112 G 7.88 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 0.00 0.00 0.00 113 E 8.61 4.60 0.00 2.01 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 2.38 2.39 0.00 114 H 7.52 3.88 0.00 1.40 1.31 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.87 4.22 0.00 3.90 3.80 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 0.00 116 D 7.17 4.63 0.00 2.64 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 0.00 117 W 8.21 4.41 0.00 3.38 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 0.00 118 D 8.29 4.47 0.00 2.77 2.75 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 0.00 119 D 8.39 4.29 0.00 3.06 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 0.00 120 Y 7.59 4.00 0.00 2.54 3.24 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 0.00 121 R 8.32 4.07 0.00 1.98 2.11 0.00 3.29 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 1.79 1.98 0.00 122 Q 8.01 4.13 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 123 A 7.82 4.24 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 *125 V 7.78 3.90 2.19 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 0.98 0.00 0.00 0.98 0.00 0.00 126 T 7.93 3.84 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 1.20 0.00 0.00 127 D 8.04 4.56 0.00 2.73 2.62 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 0.00 128 R 7.80 3.91 0.00 2.04 1.93 0.00 3.17 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 129 R 7.68 4.59 0.00 1.90 1.76 0.00 3.26 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 130 V 9.05 4.68 2.19 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 0.97 0.00 0.00 0.97 0.00 0.00 131 L 8.69 4.88 0.00 1.82 1.57 1.01 0.44 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 0.00 132 L 8.99 4.98 0.00 1.77 1.72 0.94 0.58 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 0.00 133 T 9.03 4.92 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 1.25 0.00 0.00 134 L 9.23 4.91 0.00 1.70 1.66 0.96 1.04 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 0.00 135 P 0.00 4.74 0.00 2.16 2.01 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 136 I 8.60 4.25 1.95 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 1.13 0.58 0.35 0.00 0.00 137 S 9.23 4.85 0.00 3.90 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 0.00 138 H 7.91 5.24 0.00 3.29 3.28 0.00 5.80 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 0.00 139 V 8.29 4.73 1.82 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 0.68 0.00 0.00 0.10 0.00 0.00 140 Y 8.95 4.72 0.00 3.01 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 0.00 141 G 7.80 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 0.00 0.00 0.00 142 L 7.27 4.38 0.00 1.41 1.15 0.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.67 0.00 2.19 1.98 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 144 P 0.00 4.50 0.00 2.21 2.18 0.00 3.32 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 145 G 7.80 3.61 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 0.00 0.00 0.00 *147 R 7.78 4.09 0.00 1.96 1.98 0.00 3.08 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.