NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7705 8.4093 117.7924 52.5757 38.3810 173.6003 4 T 4.3116 7.8528 113.9653 59.3440 70.3547 174.3105 5 T 4.4885 9.1637 114.6209 60.6172 72.7307 176.4492 6 Y 3.9194 8.5460 121.9708 61.0468 38.6742 178.6315 7 V 3.6294 7.9017 118.3857 66.0371 31.8255 177.5867 8 Q 4.0565 8.1948 117.8092 59.3674 28.5745 179.1331 9 E 4.0728 8.1013 119.2368 59.2181 29.4562 178.4626 10 Y 3.5767 7.9042 120.0843 61.2067 38.7680 178.3368 11 H 4.3119 8.2664 116.5470 58.4360 28.6917 177.6563 12 A 3.9998 7.8988 122.6634 55.3738 18.2023 179.8237 13 I 3.3844 7.4889 118.3297 64.2794 37.0645 178.8586 14 V 3.3023 7.6796 119.5689 65.6537 31.0103 177.5509 15 E 3.8625 7.8067 118.3721 59.2301 29.5977 178.8600 16 V 3.6549 7.4646 117.6144 66.1478 31.7046 178.0826 17 L 3.7121 7.9937 119.0282 57.4891 41.2542 179.2982 18 S 4.0813 8.4724 113.6679 61.5120 62.1944 176.4698 19 K 3.9681 7.7777 121.0522 59.4986 31.7410 178.6075 20 Y 4.1648 7.9589 119.2337 60.9006 38.8102 177.8403 21 N 4.1719 8.3336 117.2966 56.2604 38.5837 177.0912 22 E 4.0239 8.6509 121.2922 59.2269 29.6629 179.0833 23 G 3.6460 8.3579 106.1001 47.5279 0.0000 175.9603 24 G 3.4654 7.9779 108.0425 47.5900 0.0000 175.8338 25 K 4.0701 8.0781 122.6386 58.7213 32.0695 178.3347 26 K 4.1771 8.3017 116.0419 55.5817 33.2384 176.2381 27 A 3.7120 7.6509 121.4439 53.0893 16.4971 178.2395 28 D 4.5865 8.3925 120.7840 52.3834 43.2954 175.9010 29 S 4.1428 9.3348 123.5578 60.9678 63.2703 176.1244 30 T 3.7978 7.7797 111.1023 64.5101 68.5351 175.6798 31 I 3.8305 7.2607 119.1866 62.2656 36.8767 176.5182 *33 R 4.2003 8.0446 122.7307 55.8982 31.2583 175.8230 34 P 4.3406 0.0000 0.0000 65.0256 31.5813 177.2243 35 A 4.1001 8.1615 120.2823 53.3525 18.7457 176.6529 36 F 5.4144 8.0433 114.4793 55.2277 41.7034 175.6703 37 S 4.3961 8.8878 119.5553 57.9749 62.7864 175.3591 38 S 4.2500 8.7692 120.2819 61.0442 62.6283 175.0181 39 Q 4.3690 8.0443 117.8839 55.5597 29.1469 175.6360 40 A 5.0030 8.2098 121.5400 51.8048 19.7215 176.9201 41 T 4.9009 8.4888 109.3961 59.7647 72.9368 172.4528 42 I 4.9719 8.2761 121.9726 59.3535 41.4728 174.0348 43 F 5.3123 8.9913 126.4577 56.3059 43.7837 174.2255 44 G 3.5327 9.0054 108.0310 45.0397 0.0000 170.6810 45 V 4.7863 7.9953 119.0076 60.8326 33.6820 176.1996 46 D 4.8267 8.9133 127.4361 52.2867 41.0993 177.1257 47 V 3.7550 8.2679 117.4521 64.5705 31.5869 176.3354 48 D 4.6661 8.2617 119.0802 54.0157 40.5390 175.9166 49 N 4.2964 7.9747 114.5257 54.1368 36.7631 173.9733 50 K 4.6233 8.0836 117.4757 54.4039 34.6246 175.8550 51 L 4.5305 8.4411 125.7345 55.7107 42.8288 176.0406 52 T 4.6102 10.1517 120.5542 59.5141 70.6002 173.3617 53 G 3.6995 9.3058 115.4400 46.0974 0.0000 171.0536 54 G 3.5733 6.5787 110.0508 44.2351 0.0000 170.2677 55 P 4.4781 0.0000 0.0000 62.7632 32.1026 177.2012 56 I 3.1767 8.0463 121.3696 63.5451 37.5839 177.8539 57 Q 3.9094 7.9676 120.3533 59.3969 28.6949 178.7770 58 G 3.4473 7.8795 106.4894 47.4354 0.0000 175.4588 59 L 3.6630 7.2945 122.5300 57.9289 42.1289 179.0282 60 F 4.3766 7.3975 117.1628 60.7828 38.7951 177.2534 61 D 4.3596 8.2922 118.5723 57.2695 40.5278 178.9717 62 V 3.5393 7.5309 118.2851 66.0680 30.9802 178.0486 63 I 3.1626 7.7169 119.7542 64.4334 36.6785 178.0990 64 D 4.6454 8.0119 118.3811 56.5258 40.8882 177.7291 65 N 4.7342 8.2767 115.3278 53.5167 39.5288 175.8521 66 V 4.2196 7.8027 118.4017 64.1979 33.2509 176.2602 67 F 4.4630 7.7117 116.9892 57.7905 39.3700 174.0475 68 H 5.1490 8.6133 119.7007 53.1035 31.4914 172.4721 69 P 4.4007 0.0000 0.0000 63.8179 32.0217 176.8177 70 S 4.6978 9.4911 119.9528 55.3295 62.8471 172.6505 71 P 4.2267 0.0000 0.0000 65.5961 31.2466 178.0950 72 E 4.2534 8.0509 114.7734 56.1655 29.8381 176.2169 73 A 4.5128 7.8103 122.1625 52.3125 19.1901 177.4741 74 K 4.6729 9.0293 120.5586 54.5190 35.8042 175.3098 75 A 5.3832 8.8678 125.7770 50.0310 22.1686 175.1210 76 A 4.5643 9.0783 121.9080 50.3070 22.2008 175.8646 77 I 4.3954 8.6292 124.1341 60.4466 35.8071 175.5738 78 A 4.2407 8.9041 129.6736 54.7656 19.1968 177.8336 79 R 4.6171 7.6408 112.8210 55.5636 33.7641 173.9829 80 I 5.0262 8.5955 125.9963 59.8282 40.3364 174.2255 81 D 5.0595 9.3849 128.0235 52.9306 42.9076 175.8645 82 I 4.8485 8.5219 123.0002 59.6120 40.8039 175.1951 83 V 4.3081 9.0019 127.2587 61.4307 34.3375 177.2049 84 G 3.9630 8.8020 120.0557 47.2233 0.0000 173.6157 85 T 4.0515 8.9310 116.5619 61.3788 69.7333 173.6134 86 A 5.6350 8.2605 124.4440 50.7357 22.3883 175.1845 87 A 5.0438 9.0055 120.2567 50.8526 23.3752 175.3066 88 S 5.3211 9.1292 114.1034 56.5429 65.9662 172.8407 89 A 5.2746 9.1545 126.3046 50.3025 23.1492 174.6346 90 R 5.0968 9.1911 120.6936 54.5975 33.1353 174.6768 91 I 5.1895 8.7656 126.2252 59.7271 40.9728 173.9467 92 D 5.5150 9.1588 126.8712 53.0772 43.6041 175.6916 93 T 5.1898 9.0756 118.6736 62.1725 72.7477 172.6763 94 D 5.1201 9.2652 126.3450 52.9718 43.6970 176.1529 95 D 4.0471 8.4373 118.8831 55.5687 38.4747 174.5153 96 I 4.1967 7.8686 119.7947 59.9559 38.3871 174.8154 97 S 3.6365 10.0840 124.9407 59.0985 61.0801 173.2099 98 G 3.6400 8.4345 105.2227 44.5896 0.0000 173.6146 99 F 4.8757 7.9495 118.3855 55.4126 42.7453 174.5008 100 R 4.9825 8.0973 120.1922 54.7686 32.9069 173.9526 101 F 5.6969 9.1766 124.4006 56.0606 43.3425 174.2111 102 T 5.0293 8.9434 117.4311 61.9924 71.4487 172.8501 103 D 5.3203 9.1335 126.2795 52.3994 44.1800 175.0812 104 F 5.5362 8.8947 121.1741 55.7566 42.2879 174.4159 105 F 5.3998 9.5618 121.4058 55.8051 42.7125 173.6218 106 N 5.4962 9.1764 120.4305 51.7150 40.7245 173.9896 107 L 5.4721 9.2195 123.4649 52.9837 45.9421 175.5700 108 L 5.3961 9.0066 120.8825 53.0322 46.0514 176.1291 109 K 3.7869 8.3430 124.6641 54.9869 31.6294 175.0435 110 V 3.9961 8.3906 126.7891 61.8938 32.8194 175.9619 111 E 3.8296 9.7718 128.2733 57.5469 26.8838 175.7935 112 G 3.8683 8.2462 103.7946 45.2201 0.0000 173.3663 113 K 4.5843 7.6251 119.0741 53.9397 35.9016 175.8769 114 W 4.6942 8.8075 124.8299 57.0870 29.9680 175.5840 115 T 4.8018 9.0204 117.8232 60.4183 71.0392 172.7100 116 V 4.2710 8.8574 128.9920 63.0770 32.3770 176.5968 117 V 4.3762 9.0818 120.6179 61.8798 34.0332 175.6448 118 S 5.0949 7.9718 115.1506 56.7975 66.1380 172.4442 119 K 4.9320 9.2904 128.5293 54.4558 34.9669 174.7197 120 I 5.7998 8.9550 120.0429 58.5251 41.2380 173.6365 121 Y 5.3455 7.8319 119.2927 55.9457 41.2813 173.3518 122 H 4.9930 9.6312 120.8513 54.8145 32.9040 172.4886 123 T 4.8612 8.4196 122.1095 62.5971 69.4560 174.4699 124 H 4.6407 9.0880 124.8683 54.4796 29.6720 173.9562 125 P 4.4044 0.0000 0.0000 63.6106 32.0301 177.2825 126 S 4.3693 8.4323 114.5921 58.3440 62.3857 175.2020 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 3 N 8.41 4.77 0.00 2.76 2.72 0.00 0.00 6.74 6.83 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 4 T 7.85 4.31 4.30 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 1.25 0.00 0.00 5 T 9.16 4.49 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 1.30 0.00 0.00 6 Y 8.55 3.92 0.00 3.11 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 7 V 7.90 3.63 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 1.09 0.00 0.00 1.00 0.00 0.00 8 Q 8.19 4.06 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 9 E 8.10 4.07 0.00 1.83 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 0.00 2.57 2.58 0.00 10 Y 7.90 3.58 0.00 2.54 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 11 H 8.27 4.31 0.00 3.30 3.33 0.00 5.70 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 12 A 7.90 4.00 1.54 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 0.00 0.00 13 I 7.49 3.38 1.26 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.46 0.00 0.00 14 V 7.68 3.30 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 0.78 0.00 0.00 0.15 0.00 0.00 15 E 7.81 3.86 0.00 2.14 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 0.00 2.31 2.30 0.00 16 V 7.46 3.65 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 0.84 0.00 0.00 1.04 0.00 0.00 17 L 7.99 3.71 0.00 1.46 1.44 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.47 4.08 0.00 3.91 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 19 K 7.78 3.97 0.00 1.98 2.07 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.59 7.81 20 Y 7.96 4.16 0.00 3.02 3.10 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 21 N 8.33 4.17 0.00 2.95 2.86 0.00 0.00 6.73 7.24 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 22 E 8.65 4.02 0.00 1.99 1.93 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 2.29 2.32 0.00 23 G 8.36 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.98 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.08 4.07 0.00 1.95 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.76 7.81 26 K 8.30 4.18 0.00 1.85 1.84 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.51 7.81 27 A 7.65 3.71 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.39 4.59 0.00 2.60 2.48 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 29 S 9.33 4.14 0.00 3.75 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 30 T 7.78 3.80 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 1.16 0.00 0.00 31 I 7.26 3.83 1.95 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 1.16 0.61 0.97 0.00 0.00 *33 R 8.04 4.20 0.00 1.33 1.74 0.00 3.04 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 34 P 0.00 4.34 0.00 2.09 2.12 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.16 4.10 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 36 F 8.04 5.41 0.00 3.26 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 37 S 8.89 4.40 0.00 3.93 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 38 S 8.77 4.25 0.00 4.05 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 39 Q 8.04 4.37 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 40 A 8.21 5.00 1.49 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 0.00 0.00 41 T 8.49 4.90 4.15 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 1.32 0.00 0.00 42 I 8.28 4.97 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.87 0.59 0.00 0.00 43 F 8.99 5.31 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.01 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.00 4.79 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 0.92 0.00 0.00 0.88 0.00 0.00 46 D 8.91 4.83 0.00 2.95 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 47 V 8.27 3.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.26 4.67 0.00 2.83 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 49 N 7.97 4.30 0.00 2.90 2.92 0.00 0.00 6.80 7.77 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 50 K 8.08 4.62 0.00 2.08 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.55 7.81 51 L 8.44 4.53 0.00 1.58 1.56 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.15 4.61 4.30 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 1.33 0.00 0.00 53 G 9.31 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 6.58 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 55 P 0.00 4.48 0.00 2.07 1.91 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 56 I 8.05 3.18 1.54 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.36 0.61 0.00 0.00 57 Q 7.97 3.91 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 58 G 7.88 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 3.66 0.00 1.38 1.19 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.40 4.38 0.00 3.14 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 61 D 8.29 4.36 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.53 3.54 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 1.00 0.00 0.00 0.90 0.00 0.00 63 I 7.72 3.16 1.90 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.85 0.00 0.00 64 D 8.01 4.65 0.00 2.73 2.71 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 65 N 8.28 4.73 0.00 2.79 2.88 0.00 0.00 6.80 7.23 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 66 V 7.80 4.22 2.46 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 1.03 0.00 0.00 1.00 0.00 0.00 67 F 7.71 4.46 0.00 3.34 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 68 H 8.61 5.15 0.00 2.96 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 1.96 2.04 0.00 3.69 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 2.07 2.18 0.00 70 S 9.49 4.70 0.00 3.73 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 71 P 0.00 4.23 0.00 2.17 2.20 0.00 3.83 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 1.99 2.01 0.00 72 E 8.05 4.25 0.00 1.97 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 2.28 2.23 0.00 73 A 7.81 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 K 9.03 4.67 0.00 1.71 1.70 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.57 7.81 75 A 8.87 5.38 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 76 A 9.08 4.56 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 77 I 8.63 4.40 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.85 0.00 0.00 78 A 8.90 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.64 4.62 0.00 1.94 1.83 0.00 3.40 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 80 I 8.60 5.03 2.03 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.67 0.00 0.00 81 D 9.38 5.06 0.00 2.67 2.63 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 82 I 8.52 4.85 1.85 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.86 0.00 0.00 83 V 9.00 4.31 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.80 3.96 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 0.00 0.00 0.00 85 T 8.93 4.05 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 1.12 0.00 0.00 86 A 8.26 5.64 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 87 A 9.01 5.04 0.78 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 88 S 9.13 5.32 0.00 3.91 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 89 A 9.15 5.27 1.13 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 0.00 0.00 90 R 9.19 5.10 0.00 2.08 1.86 0.00 3.22 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.00 91 I 8.77 5.19 2.18 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 1.14 0.00 0.00 92 D 9.16 5.51 0.00 2.69 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 93 T 9.08 5.19 4.52 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 1.40 0.00 0.00 94 D 9.27 5.12 0.00 2.59 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 95 D 8.44 4.05 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.87 4.20 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.89 1.33 0.00 0.00 97 S 10.08 3.64 0.00 3.52 3.11 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 98 G 8.43 3.64 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 0.00 0.00 0.00 99 F 7.95 4.88 0.00 2.81 1.76 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 0.00 100 R 8.10 4.98 0.00 1.78 1.68 0.00 3.09 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.84 0.00 101 F 9.18 5.70 0.00 3.09 2.92 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 0.00 102 T 8.94 5.03 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 103 D 9.13 5.32 0.00 2.68 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 0.00 0.00 0.00 104 F 8.89 5.54 0.00 2.88 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 0.00 105 F 9.56 5.40 0.00 2.87 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 0.00 106 N 9.18 5.50 0.00 2.72 2.80 0.00 0.00 6.57 6.28 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 0.00 107 L 9.22 5.47 0.00 1.69 1.86 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.01 5.40 0.00 1.57 1.47 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.34 3.79 0.00 0.79 0.96 0.00 1.08 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.80 0.21 7.81 110 V 8.39 4.00 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 0.89 0.00 0.00 0.88 0.00 0.00 111 E 9.77 3.83 0.00 2.04 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 2.19 2.24 0.00 112 G 8.25 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 0.00 0.00 0.00 113 K 7.63 4.58 0.00 1.67 1.64 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 114 W 8.81 4.69 0.00 3.12 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 0.00 115 T 9.02 4.80 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 1.28 0.00 0.00 116 V 8.86 4.27 1.66 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 1.25 0.00 0.00 0.51 0.00 0.00 117 V 9.08 4.38 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 0.84 0.00 0.00 1.06 0.00 0.00 118 S 7.97 5.09 0.00 3.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.29 4.93 0.00 1.77 1.56 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 0.27 7.81 120 I 8.96 5.80 1.90 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 1.01 0.87 1.01 0.00 0.00 121 Y 7.83 5.35 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 9.63 4.99 0.00 3.25 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.42 4.86 4.30 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 1.07 0.00 0.00 124 H 9.09 4.64 0.00 3.10 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.40 0.00 2.20 2.08 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 126 S 8.43 4.37 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.