NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3786 8.3301 116.7952 57.7910 64.3098 173.2464 3 A 3.8745 8.5007 125.6477 51.8024 18.6810 175.4471 4 R 4.5892 8.6351 121.7689 54.2319 33.4008 173.3789 5 V 4.4626 8.3318 124.1341 61.1188 33.5854 174.7541 6 R 4.7801 8.2837 124.6694 53.5664 34.3846 172.9913 7 P 4.6277 0.0000 0.0000 63.1628 32.9455 174.8972 8 F 5.2663 8.3811 122.4152 57.2447 42.5503 173.5042 9 L 4.9209 8.5460 126.9910 53.0727 45.3167 174.9002 *11 F 4.9735 8.3603 116.2999 58.3210 40.6104 174.5292 12 Q 4.9340 9.0713 121.3930 55.5753 30.9956 177.1819 13 G 3.8535 8.8755 109.6900 46.1706 0.0000 175.5014 14 V 4.4454 8.3000 123.2598 61.3232 31.9874 174.9991 15 Q 4.4426 8.5512 122.7533 55.2838 32.3712 177.5108 16 A 3.0684 8.5711 121.3100 54.8242 18.6155 178.5381 17 E 3.8509 8.0200 114.9413 59.1397 30.1887 177.6732 18 A 3.9896 7.9271 121.0997 55.2784 18.7026 179.7983 19 A 3.1518 7.2182 116.7064 52.3229 17.6787 179.0718 *21 N 4.6051 8.2679 118.8734 54.8827 40.6747 176.8979 22 F 4.2195 8.2774 118.9205 61.6790 39.7584 176.4935 23 Y 4.2426 7.7559 116.6762 61.1051 37.5822 178.6543 24 L 4.1617 7.9146 119.6263 57.5770 41.5461 179.0480 25 S 4.1795 7.7264 112.5055 60.0820 63.1904 175.4691 26 L 4.0897 7.4096 121.7303 54.3342 41.9017 176.4981 27 F 4.7271 7.1714 116.3480 55.4552 42.0037 174.5464 28 D 4.4607 8.9801 126.2173 57.4197 40.6220 176.6147 29 D 4.7888 7.9408 120.2106 52.6139 40.0428 174.4383 30 A 4.8995 7.8489 121.6803 50.7543 22.4373 174.8335 31 E 4.7264 8.5957 116.4368 55.5520 33.6429 174.4604 32 I 4.3781 8.3450 121.8385 61.2076 37.1277 176.0221 33 L 4.3985 8.9312 128.1997 56.9853 42.6906 177.6698 34 Q 4.6925 7.8277 116.1249 54.5687 33.4341 173.8378 35 I 4.9509 8.2118 122.6081 59.6535 41.5004 173.5919 36 Q 4.5850 9.2442 129.8882 54.4185 32.1065 173.9821 37 R 5.1882 8.4491 124.3821 54.3346 32.9943 175.5943 38 Y 4.0436 8.7783 119.9171 58.4927 38.9141 176.8092 39 G 3.9972 8.4666 111.8808 44.7937 0.0000 173.8739 40 A 4.2089 8.5536 121.3884 54.1610 18.6421 178.4696 41 E 4.1830 8.1865 113.7701 56.0212 30.3057 177.8394 42 G 4.0238 7.9380 107.7237 43.8975 0.0000 171.2637 43 P 4.1904 0.0000 0.0000 64.4519 32.0020 176.8147 44 G 3.0494 6.2989 108.2340 43.3564 0.0000 171.1374 45 P 4.3597 0.0000 0.0000 61.9736 31.8758 175.9919 46 E 4.5094 8.0583 122.4678 57.4035 29.8325 176.9194 47 G 4.0448 9.1811 115.7565 45.1673 0.0000 173.6313 48 S 4.4480 8.0295 114.5348 58.0799 65.0616 173.7679 49 V 4.2912 9.1471 121.3822 62.2223 31.4316 176.2917 50 L 3.6604 8.5090 131.4725 57.5705 42.3971 177.1192 51 K 4.7574 7.6924 116.8885 55.5902 35.6045 173.6997 52 A 5.2180 8.8800 127.2143 50.6566 23.5762 174.5832 53 L 5.2810 9.1340 120.8749 53.4364 45.5979 175.3475 54 F 5.6617 9.1257 120.4766 55.0185 42.1935 173.6588 55 R 4.9303 9.2049 115.3634 54.3299 33.0782 174.4425 56 L 4.5085 8.6356 121.6754 52.3410 43.8745 177.0917 57 G 3.6559 9.0158 117.2038 46.6859 0.0000 172.9574 58 D 4.5720 8.7776 124.3090 52.8590 39.5186 175.2747 59 Q 4.4594 7.8943 122.6338 54.8971 30.6167 174.7890 60 S 4.9192 8.4788 122.6474 57.7779 64.8495 174.1077 61 V 4.3933 8.0655 122.0088 61.8087 34.8476 173.9806 62 H 5.1750 9.0495 125.2082 55.8293 30.5405 173.9309 63 C 5.4425 8.9427 114.5024 57.8710 33.3047 172.5243 64 I 5.0720 8.0775 111.8775 59.6897 40.6472 173.6755 65 D 5.1727 8.9079 123.3065 53.3596 42.2390 175.9820 66 S 4.9360 9.2372 118.8968 56.6906 63.9932 174.6461 67 H 4.2037 9.1010 123.0312 57.5393 28.8908 175.5111 68 V 3.7794 6.9224 120.1437 61.9595 31.8245 175.4983 69 R 4.5386 8.1657 125.9905 55.4511 31.0309 175.0041 70 H 4.7102 8.7950 116.5418 53.5704 32.5932 174.7632 71 A 4.0189 8.2957 123.2713 54.4540 18.4333 178.1751 72 F 4.6972 6.5021 107.3094 56.2006 39.2810 173.8060 73 D 4.6949 8.2157 119.1006 52.6308 44.2009 174.2453 74 F 4.3249 8.5099 118.3600 58.2129 39.4841 174.7346 75 T 4.9167 8.2850 112.5249 59.2077 71.8445 172.7798 76 P 4.9594 0.0000 0.0000 63.6081 31.4553 177.8285 77 A 4.1768 7.9631 121.5623 54.0965 18.4687 177.5848 78 F 4.8279 7.9676 117.0576 56.4271 41.3618 173.7736 79 S 4.6608 8.5290 121.1764 56.8768 66.8045 172.8335 80 F 4.7315 8.1011 118.3549 56.0898 40.6665 175.0310 81 F 5.0698 8.8377 124.2189 56.3603 41.7691 174.1124 82 V 4.3655 8.3905 126.6487 61.2296 33.6508 174.3592 83 D 5.1055 8.9195 128.7203 53.8985 40.5224 176.0831 84 C 4.5924 9.0946 122.0856 59.5898 28.6549 174.0114 85 E 4.4234 10.0887 121.5712 57.7518 30.3714 177.0189 86 S 4.6548 7.4716 111.9485 55.7982 67.1119 174.4249 87 N 4.2641 8.7492 120.2572 56.8881 38.6928 176.7643 88 A 3.9571 7.9364 121.6672 55.0328 18.4113 179.2844 89 Q 3.7747 8.0181 118.0500 59.4163 29.1382 178.2784 90 I 3.6142 7.8074 119.6403 64.0239 37.9568 177.6858 91 E 3.9190 8.3544 119.6607 59.2507 29.2109 179.3226 92 R 3.7979 7.9366 118.6883 59.4199 30.1179 178.5877 93 L 3.7121 8.0800 118.9039 57.6424 41.5584 179.4178 94 A 3.9401 8.2060 121.0434 54.9559 18.0724 179.3398 95 E 3.8219 7.9653 116.6755 59.3392 29.8116 178.6197 96 A 4.1935 8.1141 120.9183 55.3164 18.4787 179.6920 97 L 4.1584 8.2751 118.2002 57.7210 41.6552 179.3371 98 S 4.6283 8.1998 112.9683 58.7044 63.0609 173.2346 99 D 4.3911 7.4137 122.8495 55.4830 40.7024 176.1301 100 G 3.9101 9.0513 115.0953 45.4703 0.0000 171.8481 101 G 4.6305 7.8400 107.6513 45.2374 0.0000 172.6894 102 K 4.7961 9.2323 120.2510 54.7209 36.6087 176.1264 103 A 4.6691 8.7499 126.6454 50.4949 18.2476 176.8748 104 L 4.1271 8.5899 117.3607 56.4536 41.8037 175.5080 *106 P 4.3503 0.0000 0.0000 61.7198 32.6996 176.1335 107 L 4.2270 8.7936 124.2277 56.1415 42.6197 176.6343 108 G 3.8391 8.4523 111.1202 46.5957 0.0000 170.7829 109 D 4.9556 8.5674 120.5709 52.9488 41.5484 175.8832 110 Y 4.1924 8.4179 123.0103 57.6720 38.0978 177.0425 111 G 3.9898 8.4501 110.0423 44.9907 0.0000 174.3950 112 F 4.8857 6.8778 112.2621 56.5967 38.9944 174.6166 113 S 4.6378 7.1904 114.3488 57.4052 65.5339 174.1397 114 Q 4.2122 8.4885 121.5130 59.1051 29.0903 176.6961 115 R 5.0568 7.8585 115.9104 54.9569 35.0477 173.8742 116 F 5.5322 9.5741 123.4332 57.1918 43.5595 172.8384 117 A 4.9167 7.8903 124.7164 50.0292 23.3743 174.9400 118 W 4.9262 8.7784 129.5497 55.7102 33.5433 174.0123 119 L 5.4582 9.3457 127.5573 52.9694 44.9082 175.3550 120 A 5.4989 9.1927 124.7546 50.3915 21.3390 177.1218 121 D 5.7237 9.7664 123.3242 51.8572 41.1024 177.2829 122 R 4.1169 8.2443 113.9443 57.9703 29.3089 177.1506 123 F 4.6450 8.5608 116.2551 57.4687 39.3884 176.6866 124 G 4.2101 8.6822 110.1165 45.0208 0.0000 173.9993 125 V 3.6190 7.9446 120.1635 62.3413 32.4380 174.7510 126 S 5.2541 8.5623 122.9476 58.1511 64.5307 172.9716 127 W 4.8648 9.5330 124.3335 55.0024 32.4882 174.2035 128 Q 4.3613 8.9667 124.6007 54.1095 30.4176 174.5861 129 L 4.8783 8.1939 124.2386 52.7348 44.6902 174.9872 130 N 5.5416 8.9073 122.1832 51.6423 42.6161 172.6458 131 L 5.0841 9.1552 128.1838 53.0694 44.0469 175.2531 132 A 4.4418 8.7303 128.5815 51.3546 19.4978 177.3750 133 G 3.7117 8.6299 108.4315 45.9169 0.0000 173.6622 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 S 8.33 4.38 0.00 3.88 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 3 A 8.50 3.87 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 R 8.64 4.59 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 5 V 8.33 4.46 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 0.93 0.00 0.00 0.94 0.00 0.00 6 R 8.28 4.78 0.00 1.90 1.75 0.00 3.57 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 7 P 0.00 4.63 0.00 2.10 2.21 0.00 3.81 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 2.13 2.08 0.00 8 F 8.38 5.27 0.00 3.02 2.68 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 9 L 8.55 4.92 0.00 1.64 1.28 1.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *11 F 8.36 4.97 0.00 3.23 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 12 Q 9.07 4.93 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.66 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 13 G 8.88 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 0.00 0.00 0.00 14 V 8.30 4.45 2.10 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 0.89 0.00 0.00 0.95 0.00 0.00 15 Q 8.55 4.44 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 16 A 8.57 3.07 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 17 E 8.02 3.85 0.00 1.87 1.90 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 2.21 2.23 0.00 18 A 7.93 3.99 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 19 A 7.22 3.15 -0.27 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 *21 N 8.27 4.61 0.00 2.91 2.88 0.00 0.00 6.65 8.13 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 22 F 8.28 4.22 0.00 2.95 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 23 Y 7.76 4.24 0.00 2.85 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 24 L 7.91 4.16 0.00 1.83 1.72 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.73 4.18 0.00 4.01 4.09 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 26 L 7.41 4.09 0.00 1.23 0.81 0.15 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.17 4.73 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 28 D 8.98 4.46 0.00 2.68 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 29 D 7.94 4.79 0.00 2.83 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 30 A 7.85 4.90 1.34 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 0.00 0.00 0.00 31 E 8.60 4.73 0.00 2.05 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 2.19 2.28 0.00 32 I 8.34 4.38 1.89 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 1.37 0.57 0.95 0.00 0.00 33 L 8.93 4.40 0.00 1.66 1.72 0.89 1.00 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 34 Q 7.83 4.69 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 35 I 8.21 4.95 1.88 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 1.23 0.74 0.91 0.00 0.00 36 Q 9.24 4.59 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 37 R 8.45 5.19 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 38 Y 8.78 4.04 0.00 3.12 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 G 8.47 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 40 A 8.55 4.21 1.34 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 0.00 0.00 0.00 41 E 8.19 4.18 0.00 1.99 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 0.00 2.31 2.38 0.00 42 G 7.94 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 43 P 0.00 4.19 0.00 1.76 2.10 0.00 4.05 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 44 G 6.30 3.05 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 45 P 0.00 4.36 0.00 2.18 1.96 0.00 3.49 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 2.09 2.03 0.00 46 E 8.06 4.51 0.00 2.01 1.89 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 2.33 2.25 0.00 47 G 9.18 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 0.00 0.00 0.00 48 S 8.03 4.45 0.00 4.20 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 49 V 9.15 4.29 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 0.94 0.00 0.00 0.93 0.00 0.00 50 L 8.51 3.66 0.00 0.74 1.52 0.53 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.69 4.76 0.00 1.89 1.56 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 52 A 8.88 5.22 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 53 L 9.13 5.28 0.00 1.72 1.47 0.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.13 5.66 0.00 3.29 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 55 R 9.20 4.93 0.00 1.84 1.94 0.00 2.90 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 56 L 8.64 4.51 0.00 1.17 0.94 0.76 1.16 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 57 G 9.02 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 0.00 0.00 0.00 58 D 8.78 4.57 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 59 Q 7.89 4.46 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 60 S 8.48 4.92 0.00 3.68 3.60 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 61 V 8.07 4.39 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 1.08 0.00 0.00 0.58 0.00 0.00 62 H 9.05 5.18 0.00 3.00 2.74 0.00 5.88 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.94 5.44 0.00 3.36 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 64 I 8.08 5.07 2.05 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 1.09 0.00 0.00 65 D 8.91 5.17 0.00 2.96 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 66 S 9.24 4.94 0.00 3.96 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 67 H 9.10 4.20 0.00 3.24 3.29 0.00 5.57 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 6.92 3.78 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 0.57 0.00 0.00 0.68 0.00 0.00 69 R 8.17 4.54 0.00 1.72 1.72 0.00 3.22 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 70 H 8.80 4.71 0.00 1.76 2.13 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.30 4.02 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 72 F 6.50 4.70 0.00 3.11 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 73 D 8.22 4.69 0.00 2.64 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 74 F 8.51 4.32 0.00 3.35 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 75 T 8.28 4.92 4.33 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 1.34 0.00 0.00 76 P 0.00 4.96 0.00 1.98 2.09 0.00 3.79 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 77 A 7.96 4.18 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 78 F 7.97 4.83 0.00 3.05 2.68 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 79 S 8.53 4.66 0.00 3.74 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 80 F 8.10 4.73 0.00 1.84 2.39 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 81 F 8.84 5.07 0.00 2.94 2.85 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 82 V 8.39 4.37 2.10 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 1.17 0.00 0.00 1.27 0.00 0.00 83 D 8.92 5.11 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 84 C 9.09 4.59 0.00 2.93 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 85 E 10.09 4.42 0.00 2.00 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 0.00 2.31 2.27 0.00 86 S 7.47 4.65 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 87 N 8.75 4.26 0.00 2.78 2.85 0.00 0.00 6.76 7.70 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 88 A 7.94 3.96 1.30 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 0.00 0.00 89 Q 8.02 3.77 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 90 I 7.81 3.61 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.99 0.00 0.00 91 E 8.35 3.92 0.00 2.21 1.96 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 2.32 2.45 0.00 92 R 7.94 3.80 0.00 1.82 1.96 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 93 L 8.08 3.71 0.00 1.56 1.48 0.73 0.30 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 94 A 8.21 3.94 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 95 E 7.97 3.82 0.00 2.05 2.10 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 2.31 2.32 0.00 96 A 8.11 4.19 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 97 L 8.28 4.16 0.00 1.71 1.72 0.46 -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 0.00 0.00 0.00 0.00 98 S 8.20 4.63 0.00 4.11 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 99 D 7.41 4.39 0.00 2.81 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 0.00 100 G 9.05 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 0.00 101 G 7.84 4.63 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 0.00 102 K 9.23 4.80 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.43 7.81 103 A 8.75 4.67 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 0.00 104 L 8.59 4.13 0.00 1.72 1.59 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.35 0.00 2.07 2.10 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 107 L 8.79 4.23 0.00 1.67 1.64 1.00 0.99 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 G 8.45 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 0.00 109 D 8.57 4.96 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 4.19 0.00 2.31 2.85 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 0.00 111 G 8.45 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 0.00 112 F 6.88 4.89 0.00 3.04 3.17 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 0.00 113 S 7.19 4.64 0.00 4.33 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 0.00 114 Q 8.49 4.21 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 115 R 7.86 5.06 0.00 1.76 1.79 0.00 3.36 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 116 F 9.57 5.53 0.00 3.18 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 0.00 117 A 7.89 4.92 1.14 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 0.00 0.00 118 W 8.78 4.93 0.00 3.60 2.97 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 0.00 119 L 9.35 5.46 0.00 1.73 1.67 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 120 A 9.19 5.50 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 0.00 121 D 9.77 5.72 0.00 3.22 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 0.00 122 R 8.24 4.12 0.00 1.50 1.93 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 123 F 8.56 4.64 0.00 3.55 3.58 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 0.00 0.00 0.00 0.00 124 G 8.68 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 0.00 0.00 0.00 0.00 125 V 7.94 3.62 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 0.76 0.00 0.00 0.34 0.00 0.00 126 S 8.56 5.25 0.00 4.01 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 0.00 127 W 9.53 4.86 0.00 3.20 3.06 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 0.00 0.00 0.00 128 Q 8.97 4.36 0.00 1.57 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 129 L 8.19 4.88 0.00 1.29 1.40 0.82 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.91 5.54 0.00 2.77 2.70 0.00 0.00 6.23 7.30 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 0.00 131 L 9.16 5.08 0.00 1.78 1.57 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.73 4.44 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 0.00 133 G 8.63 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 * Residues marked with a * may have inaccurate shift predictions.