NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5362 8.3049 120.3480 55.6824 34.0833 174.8889 2 N 4.5093 8.0575 121.7279 51.6384 40.7776 173.0002 3 L 4.1371 9.3145 125.6393 54.8748 43.3175 174.8791 4 P 4.3576 0.0000 0.0000 63.1244 31.9035 176.9516 5 T 4.1915 9.4672 113.5598 60.5963 71.1068 175.6360 6 A 3.9305 8.3715 122.1640 55.8614 18.0895 179.9718 7 Q 3.9868 7.9515 115.4111 58.8804 28.6904 178.6687 8 E 3.9231 7.7578 120.0823 58.9964 29.3810 179.4030 9 V 3.1376 8.0454 118.8793 65.8792 31.6991 178.0120 10 Q 4.0834 8.0995 117.9905 58.8862 28.4544 179.2849 11 G 3.5097 7.7807 106.3449 47.8716 0.0000 175.6817 12 L 3.9477 7.9036 122.4659 57.7435 41.2973 179.7352 13 M 4.2471 8.4073 118.4727 58.1721 31.9721 178.7517 14 A 4.0350 7.9810 120.7506 54.9796 18.5562 179.5224 15 R 3.8223 8.2977 117.5982 59.8242 30.2686 177.9967 16 Y 3.9875 8.1387 119.1954 60.8881 38.7382 178.3367 17 I 3.4911 7.6264 120.4674 64.1254 37.1723 178.0355 18 E 4.0286 8.0687 119.9697 59.1306 29.3984 178.8911 19 L 3.9267 7.7815 119.2591 57.4679 41.3873 179.5419 20 V 3.4415 7.0082 117.3276 65.5673 31.4632 177.3328 21 D 4.4074 8.1019 117.4827 57.4498 41.2149 178.3310 22 V 3.8807 7.7752 111.3496 61.8075 31.7256 176.8038 23 G 3.7788 7.9914 106.1442 46.8632 0.0000 174.9252 24 D 4.5874 7.8356 119.4333 51.9691 38.4934 175.1427 25 I 3.6323 7.7435 125.5434 64.4353 37.4416 177.0837 26 E 3.9926 8.1453 116.7375 59.4040 29.4050 178.9045 27 A 4.1489 8.3305 120.8597 54.8044 18.3182 179.7396 28 I 3.5994 7.5733 118.0169 64.7141 36.7714 178.5434 29 V 3.6224 7.7271 118.7505 66.2214 31.0123 177.6928 30 Q 4.2208 7.6137 116.1288 58.1934 28.8109 177.6758 31 M 4.2346 8.7858 120.7478 56.9280 32.1254 176.0939 32 Y 4.6301 7.0696 114.8454 56.9620 39.2537 175.2878 33 A 4.3838 8.5962 125.6050 51.7055 19.7266 178.5315 34 D 4.4625 8.9476 119.9417 57.2920 40.8976 178.9139 35 D 4.8533 7.8098 115.8109 52.8263 40.3271 176.1393 36 A 4.5975 7.9360 122.0015 53.2871 19.8716 177.4679 37 T 4.9234 8.8502 111.0549 59.7550 71.7526 172.9666 38 V 4.5330 8.8653 125.9181 60.8872 34.6815 173.8783 39 E 4.6227 8.9027 127.0970 54.8548 32.1507 175.1399 40 N 5.0621 8.2549 124.1032 51.9794 40.9775 172.3198 41 P 4.5566 0.0000 0.0000 61.7688 33.2136 175.5258 42 F 4.0094 8.4083 123.8438 59.6529 39.4720 175.2288 43 G 3.6098 8.0612 115.2947 44.9779 0.0000 172.5536 44 Q 4.5237 6.7320 118.1378 52.6908 31.6836 173.4342 45 P 4.2308 0.0000 0.0000 62.3092 31.8777 174.8403 46 P 4.5473 0.0000 0.0000 62.7368 32.4459 175.5431 47 I 4.3386 8.7345 123.9512 60.0609 39.2609 174.4615 48 H 5.1244 9.1646 123.6938 55.0697 31.6299 175.0172 49 G 4.4120 9.0152 108.3685 45.7095 0.0000 174.5221 50 R 3.8604 8.3429 116.8254 59.2791 30.0016 178.7157 51 E 3.9824 8.2630 118.3048 59.7277 29.4959 179.0882 52 Q 3.9830 7.9569 117.1603 58.9217 29.0169 178.1368 53 I 3.6334 7.7032 120.6216 64.5065 37.1002 178.2358 54 A 4.1570 8.6619 121.4770 55.2499 18.3367 179.4837 55 A 3.9669 8.0460 119.2729 55.1676 18.4241 179.5888 56 F 3.9592 8.6583 119.5292 61.8175 39.4139 177.0878 57 Y 3.9263 8.3114 116.3304 60.7851 37.5984 178.0526 58 R 3.8446 8.3543 119.9559 59.3875 29.9376 178.3785 59 Q 3.9564 7.7155 117.8232 59.2798 29.2320 178.1445 60 G 3.5482 7.5747 104.8044 46.5196 0.0000 174.4190 61 L 4.3840 8.5754 120.9412 56.0662 42.7443 177.6115 62 G 3.6669 7.8325 109.3783 43.6443 0.0000 171.8439 *65 K 4.0335 7.7611 120.4365 56.8539 32.9472 175.2922 66 V 4.8558 7.9737 123.6367 61.4046 34.7016 174.4289 67 R 4.9074 9.1716 125.2510 54.4875 34.3026 174.2632 68 A 5.6737 9.0245 122.3402 50.0936 22.4729 175.4006 69 C 4.8239 8.6176 115.2697 56.5392 33.3410 173.6129 70 L 4.7080 8.6830 121.5011 55.3873 41.8044 177.1727 71 T 4.4399 8.6295 112.1441 60.9951 69.3821 173.9429 72 G 4.0025 7.3345 109.5728 44.4166 0.0000 171.4532 73 P 4.4099 0.0000 0.0000 62.3979 31.8178 176.2518 74 V 3.9833 8.1679 120.0849 63.0763 32.5957 175.2422 75 R 4.6489 9.5337 127.1845 54.6931 31.7363 175.0204 76 A 5.2581 8.6626 125.8984 50.2763 21.7109 175.6565 77 S 4.7791 8.4519 117.1177 56.8454 66.1317 173.7515 78 H 5.0969 8.6376 115.4651 56.0255 29.0660 174.1791 79 N 5.0090 7.7099 113.8514 52.7231 37.8181 174.3736 80 G 3.9927 8.5611 103.6690 47.8498 0.0000 173.2893 81 C 5.4800 7.6538 115.7982 58.0498 32.3395 172.8588 82 G 4.4769 8.6411 106.1954 46.1000 0.0000 171.9365 83 A 5.5742 9.2239 121.2987 50.5900 23.1296 175.2553 84 M 5.1930 8.9869 117.2654 53.3037 35.4587 171.8616 85 P 5.3965 0.0000 0.0000 61.6172 33.7277 174.3983 86 F 5.4810 8.9020 118.8712 55.3789 42.6138 172.9449 87 R 4.9795 9.1591 117.8748 54.6533 33.4025 173.8053 88 V 4.9216 8.7704 126.1264 61.4110 34.0372 174.0481 89 E 5.2722 9.2609 126.8593 54.9397 32.5212 174.9975 90 M 5.1960 8.7907 119.8723 55.3072 35.5715 173.2314 91 V 4.8811 8.3599 118.6008 61.0438 33.7464 174.8210 92 W 4.6690 9.0473 135.0000 56.3217 30.5687 175.2602 93 N 3.8505 9.6290 126.1751 54.2444 35.2433 175.9960 94 G 3.8056 8.4091 105.8906 45.2772 0.0000 173.5516 95 Q 4.2002 7.5696 121.9588 53.6613 28.6483 172.6777 96 P 4.7455 0.0000 0.0000 63.8737 32.2072 175.1398 97 C 5.2259 10.0765 122.2799 57.7028 32.7374 172.7072 98 A 5.2214 8.8610 120.9717 50.5078 22.8414 175.3170 99 L 4.8397 8.3973 121.2753 54.0488 45.6479 174.3598 100 D 4.9605 8.6239 127.3661 53.7524 41.7288 176.2787 101 V 4.6613 8.1763 122.0289 61.1694 35.8895 173.7941 102 I 5.0528 8.4079 125.1044 59.7342 40.6108 174.0119 103 D 5.5572 9.2685 127.3149 52.8594 43.0434 175.5374 104 V 4.8622 8.8432 123.5106 61.5196 34.1119 174.3423 105 M 5.2107 8.9428 125.8280 53.5506 36.8348 174.0577 106 R 4.9420 8.4763 121.4385 54.7249 33.0448 174.1520 107 F 5.2165 9.5281 125.8678 56.2126 41.1663 175.8834 108 D 4.7597 8.8343 122.5768 51.8954 40.9638 176.8660 109 E 4.1874 8.7020 115.8705 58.5380 29.1892 176.9363 110 H 4.7652 9.3824 116.5434 55.4858 29.6185 174.5370 111 G 3.8982 8.5333 107.1933 45.8788 0.0000 173.9534 112 R 4.7300 7.9147 118.0394 54.3160 32.4649 175.4434 113 I 3.7369 8.1831 121.4090 60.7267 37.2680 176.6260 114 Q 4.1995 9.0237 130.5611 58.4983 30.4290 175.7342 115 T 5.2933 7.4493 113.4406 61.7039 73.5257 172.7788 116 M 5.3202 8.4508 123.1063 54.4328 36.2362 173.2402 117 Q 5.0129 9.3352 124.2407 54.0920 32.8195 174.0599 118 A 5.0844 9.1717 126.9072 50.7580 20.9051 175.4972 119 Y 4.6776 9.2033 122.2218 58.0586 38.9291 175.2974 120 W 4.8654 8.2887 120.5092 56.9737 30.5574 173.2997 121 S 4.3290 8.6958 114.1984 57.4901 65.5698 175.2938 122 E 4.1347 8.8483 118.9449 59.5982 29.1278 180.0013 123 V 3.7504 7.8657 110.5126 63.5049 31.9512 176.3170 124 N 4.7826 8.5654 116.9966 52.8405 38.8452 174.1082 125 L 4.8742 7.6769 121.1405 54.9593 43.4625 175.7012 126 S 4.7241 9.1277 119.5255 57.7511 68.3481 174.7341 127 V 4.5918 8.0012 112.7515 60.7853 32.0590 176.1904 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 8.30 4.54 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 2 N 8.06 4.51 0.00 2.75 2.53 0.00 0.00 6.98 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 3 L 9.31 4.14 0.00 1.64 1.62 0.98 1.02 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 4 P 0.00 4.36 0.00 1.79 1.74 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 5 T 9.47 4.19 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 1.23 0.00 0.00 6 A 8.37 3.93 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 7 Q 7.95 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 8 E 7.76 3.92 0.00 2.05 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 2.25 2.23 0.00 9 V 8.05 3.14 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 1.23 0.00 0.00 0.89 0.00 0.00 10 Q 8.10 4.08 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 11 G 7.78 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 12 L 7.90 3.95 0.00 1.35 1.56 0.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.41 4.25 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.65 0.00 14 A 7.98 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 15 R 8.30 3.82 0.00 1.92 2.23 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 Y 8.14 3.99 0.00 3.12 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 17 I 7.63 3.49 1.98 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 0.84 0.00 0.00 18 E 8.07 4.03 0.00 2.08 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 2.28 2.35 0.00 19 L 7.78 3.93 0.00 1.65 1.53 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.01 3.44 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 0.73 0.00 0.00 0.27 0.00 0.00 21 D 8.10 4.41 0.00 2.84 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 22 V 7.78 3.88 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 0.83 0.00 0.00 0.99 0.00 0.00 23 G 7.99 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.59 0.00 2.68 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 25 I 7.74 3.63 1.88 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 1.71 0.63 0.95 0.00 0.00 26 E 8.15 3.99 0.00 1.93 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 0.00 2.33 2.40 0.00 27 A 8.33 4.15 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 28 I 7.57 3.60 1.77 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 1.10 0.62 0.40 0.00 0.00 29 V 7.73 3.62 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 1.10 0.00 0.00 1.08 0.00 0.00 30 Q 7.61 4.22 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 31 M 8.79 4.23 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 32 Y 7.07 4.63 0.00 3.16 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 33 A 8.60 4.38 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.95 4.46 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.85 0.00 2.79 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 36 A 7.94 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.85 4.92 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 1.31 0.00 0.00 38 V 8.87 4.53 1.75 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 0.68 0.00 0.00 0.79 0.00 0.00 39 E 8.90 4.62 0.00 2.00 1.77 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 2.09 2.15 0.00 40 N 8.25 5.06 0.00 2.71 2.53 0.00 0.00 7.27 7.69 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 41 P 0.00 4.56 0.00 1.36 0.49 0.00 3.63 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 1.62 1.05 0.00 42 F 8.41 4.01 0.00 2.30 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 43 G 8.06 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 44 Q 6.73 4.52 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 45 P 0.00 4.23 0.00 2.01 1.92 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 46 P 0.00 4.55 0.00 1.72 1.81 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 47 I 8.73 4.34 1.57 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.31 0.72 0.00 0.00 48 H 9.16 5.12 0.00 2.94 3.14 0.00 5.88 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.02 4.41 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 0.00 50 R 8.34 3.86 0.00 1.89 2.02 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 51 E 8.26 3.98 0.00 2.01 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 2.41 2.39 0.00 52 Q 7.96 3.98 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 7.70 3.63 2.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.71 0.00 0.00 54 A 8.66 4.16 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 55 A 8.05 3.97 1.48 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 56 F 8.66 3.96 0.00 3.11 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 57 Y 8.31 3.93 0.00 3.24 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 58 R 8.35 3.84 0.00 2.04 1.95 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 59 Q 7.72 3.96 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 60 G 7.57 3.55 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 0.00 61 L 8.58 4.38 0.00 1.87 1.76 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.83 3.67 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 0.00 0.00 0.00 *65 K 7.76 4.03 0.00 1.98 2.06 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 66 V 7.97 4.86 2.08 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 0.84 0.00 0.00 0.95 0.00 0.00 67 R 9.17 4.91 0.00 1.75 1.76 0.00 3.14 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 68 A 9.02 5.67 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 69 C 8.62 4.82 0.00 3.00 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 70 L 8.68 4.71 0.00 1.71 1.89 0.96 0.99 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 71 T 8.63 4.44 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 1.31 0.00 0.00 72 G 7.33 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 73 P 0.00 4.41 0.00 2.21 2.09 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 74 V 8.17 3.98 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 0.84 0.00 0.00 0.98 0.00 0.00 75 R 9.53 4.65 0.00 1.95 1.84 0.00 3.32 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 1.57 1.62 0.00 76 A 8.66 5.26 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 77 S 8.45 4.78 0.00 3.92 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 78 H 8.64 5.10 0.00 3.10 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.71 5.01 0.00 2.79 2.84 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.56 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 81 C 7.65 5.48 0.00 2.89 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 82 G 8.64 4.48 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 83 A 9.22 5.57 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 84 M 8.99 5.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 85 P 0.00 5.40 0.00 2.16 2.25 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 86 F 8.90 5.48 0.00 3.28 3.19 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 87 R 9.16 4.98 0.00 1.86 1.79 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 88 V 8.77 4.92 1.99 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 0.95 0.00 0.00 1.14 0.00 0.00 89 E 9.26 5.27 0.00 1.90 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 2.22 2.22 0.00 90 M 8.79 5.20 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 91 V 8.36 4.88 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 0.84 0.00 0.00 0.95 0.00 0.00 92 W 9.05 4.67 0.00 3.33 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 93 N 9.63 3.85 0.00 2.19 2.55 0.00 0.00 7.29 7.65 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 94 G 8.41 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 95 Q 7.57 4.20 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 96 P 0.00 4.75 0.00 2.17 2.22 0.00 3.68 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 2.09 2.02 0.00 97 C 10.08 5.23 0.00 2.83 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 98 A 8.86 5.22 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 99 L 8.40 4.84 0.00 1.49 1.18 -0.30 1.31 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 0.00 100 D 8.62 4.96 0.00 2.58 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 0.00 101 V 8.18 4.66 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 1.24 0.00 0.00 0.57 0.00 0.00 102 I 8.41 5.05 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 103 D 9.27 5.56 0.00 2.98 2.66 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 0.00 104 V 8.84 4.86 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 1.12 0.00 0.00 1.05 0.00 0.00 105 M 8.94 5.21 0.00 1.37 1.70 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 106 R 8.48 4.94 0.00 1.83 1.67 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 107 F 9.53 5.22 0.00 2.96 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 0.00 108 D 8.83 4.76 0.00 2.89 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 0.00 109 E 8.70 4.19 0.00 2.01 2.08 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 1.78 2.09 0.00 110 H 9.38 4.77 0.00 3.25 3.34 0.00 5.90 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 0.00 111 G 8.53 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 0.00 112 R 7.91 4.73 0.00 2.09 1.97 0.00 3.51 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 113 I 8.18 3.74 1.08 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.66 0.37 0.00 0.00 114 Q 9.02 4.20 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 115 T 7.45 5.29 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 0.00 116 M 8.45 5.32 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 117 Q 9.34 5.01 0.00 1.90 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 118 A 9.17 5.08 1.60 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 0.00 119 Y 9.20 4.68 0.00 3.13 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 0.00 120 W 8.29 4.87 0.00 3.34 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 0.00 121 S 8.70 4.33 0.00 3.98 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 0.00 122 E 8.85 4.13 0.00 2.12 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 0.00 2.40 2.41 0.00 123 V 7.87 3.75 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 0.73 0.00 0.00 0.98 0.00 0.00 124 N 8.57 4.78 0.00 3.06 2.99 0.00 0.00 6.44 6.29 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 0.00 125 L 7.68 4.87 0.00 1.62 1.75 0.85 0.58 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 0.00 126 S 9.13 4.72 0.00 3.72 3.73 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 0.00 127 V 8.00 4.59 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 0.99 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.