NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2035 8.3149 121.7897 55.8486 33.9650 175.6362 3 I 4.2245 7.4495 119.5941 58.4886 38.4766 174.1947 4 K 4.1033 8.7297 126.0787 56.2986 33.8140 177.0529 5 H 4.0475 9.1677 123.0411 59.7148 29.3682 177.1824 6 E 3.9508 8.0499 117.4853 59.5086 29.4291 178.1864 7 H 4.5000 7.9783 116.3697 58.0535 28.9828 177.3414 8 I 3.9748 7.5256 120.8949 63.8911 37.0630 178.7422 9 R 3.9934 7.6401 116.4777 56.5063 29.9844 176.4241 *11 A 4.1835 7.8784 117.7271 51.6841 20.2622 179.2569 *13 N 4.8186 8.2006 118.3632 54.9894 39.2620 176.9611 14 A 4.0670 8.1065 119.3535 55.0133 18.2210 179.2571 15 W 4.5317 8.6676 125.7375 59.9697 30.9971 177.6036 16 A 4.2976 7.6212 120.0591 54.5933 18.1088 178.5063 17 H 3.9066 8.2545 116.3462 59.7420 29.9125 174.1554 18 P 4.1985 0.0000 0.0000 65.3131 31.5611 176.6402 19 D 4.7569 7.9561 117.2153 53.9325 41.5893 177.5978 20 G 3.9048 8.2244 105.3279 45.4743 0.0000 175.2056 21 E 3.5385 8.0321 117.0474 58.4257 29.1619 179.6976 22 K 3.9455 7.7889 118.5024 58.9309 31.9563 179.2689 23 V 3.4542 7.2668 118.4071 65.3913 31.1087 176.0706 24 P 2.9700 0.0000 0.0000 64.9569 31.0155 178.3650 25 A 4.0483 7.5868 118.9392 55.1640 18.1577 179.4950 26 A 3.9456 7.9832 119.1826 55.2688 18.4217 179.8440 27 E 4.0216 8.2622 117.1769 59.7457 29.7051 179.5606 28 I 3.9768 8.7877 121.8899 64.0808 37.0964 178.6203 29 T 3.8612 8.2626 116.9610 66.6696 68.3803 176.5393 30 R 4.1075 8.0019 120.2530 59.5969 30.0787 178.4664 31 A 4.5220 8.0561 121.4666 54.5461 18.1160 178.7319 32 Y 3.9920 7.9938 117.5262 61.2586 39.0076 178.5037 33 F 4.3231 8.1904 117.5130 59.9407 38.8969 177.8820 34 E 4.0734 8.1192 118.3545 59.3216 29.1619 178.7328 35 L 4.4482 8.0727 116.5117 53.8893 41.9206 174.0290 36 G 3.5704 7.2357 115.1157 45.2216 0.0000 173.9855 *38 T 4.3106 8.2544 115.1125 60.3728 70.6517 173.8856 39 F 4.7970 7.8765 123.9120 55.7718 42.4008 172.8178 40 P 3.4422 0.0000 0.0000 61.7710 32.5318 174.6190 41 E 4.3330 8.3469 117.7091 55.9297 30.1610 175.8515 42 L 4.3278 7.8911 124.9778 52.9197 44.8851 175.4029 43 Y 4.5384 8.3891 124.2435 57.6750 38.3341 175.6165 44 D 4.4990 8.8940 124.3880 52.2668 40.9574 175.9026 45 D 4.5115 8.4922 119.6092 57.7136 40.7991 179.1890 46 S 4.6030 7.6464 111.7394 58.5897 62.8824 173.5224 47 H 4.7728 8.6729 118.2517 53.8860 31.1265 171.7988 48 P 4.1175 0.0000 0.0000 66.3707 31.4426 175.6934 49 E 4.2590 8.2949 115.6578 55.9238 29.6676 178.9875 50 A 3.4708 7.0250 112.6351 53.0385 18.7643 179.6732 51 L 3.8159 8.3098 117.1438 57.6964 42.6992 179.3630 52 A 3.9637 8.0129 119.7204 55.2620 18.3077 179.7019 53 R 3.9494 8.1873 116.6799 59.4725 30.1636 179.0151 54 N 4.2807 8.8313 116.7132 56.3412 38.5255 177.7359 55 T 3.8754 8.0888 117.4559 66.5850 68.3407 176.5404 56 Q 3.8651 7.5590 119.7875 59.2786 29.4377 177.7506 57 K 3.2381 7.7212 119.2416 59.5059 32.1029 178.8384 58 I 3.5833 7.5531 119.2746 64.7981 37.4438 178.3601 59 F 4.1158 8.0796 116.5737 58.9992 38.5491 177.6859 60 R 3.9139 7.3475 118.3750 59.0381 29.9132 177.9797 61 W 4.5202 7.6426 118.4247 59.5536 28.9252 178.5071 62 V 3.6781 7.5005 117.3506 66.1522 30.9997 177.7095 63 E 4.1755 8.0409 116.9293 58.0736 29.4843 177.6046 64 K 4.4962 7.2195 116.0531 55.8085 33.3970 175.9371 65 D 4.9298 8.3547 116.4332 53.8086 42.2729 176.9789 66 T 4.3043 7.7041 110.4514 60.5138 71.1960 173.2224 67 P 4.1623 0.0000 0.0000 65.8957 31.3476 178.4687 68 D 4.1998 8.0087 115.8454 57.2483 41.3392 177.9152 69 A 3.8211 7.5716 120.3103 55.1609 18.4588 179.6889 70 V 3.2173 7.8754 117.2594 66.0645 31.6057 178.1082 71 E 3.9983 8.3290 117.3560 59.0831 29.2117 179.2502 72 K 3.4237 7.3332 118.8917 58.9804 32.1736 179.0570 73 I 3.7660 7.5039 120.1618 64.1647 37.1054 178.3151 74 Q 3.9274 8.0352 118.7406 59.1464 28.4000 179.0152 75 A 4.0636 7.7759 120.0346 54.9680 18.6239 178.9752 76 L 4.1081 7.9116 118.3867 57.2184 42.1420 178.9422 77 L 3.8932 7.5412 119.4688 57.6237 41.4809 177.5201 78 P 4.2653 0.0000 0.0000 65.7212 31.0747 178.4504 79 A 4.1860 8.0997 118.2288 54.6114 18.4735 179.6356 80 I 4.0181 7.5888 118.3451 64.8170 37.1837 178.2808 81 E 3.9293 8.4435 118.3896 59.1422 29.2836 179.0677 82 K 4.1444 7.9102 119.1252 57.9411 33.4781 177.9188 83 S 4.7448 7.7902 115.4614 55.9519 61.6983 172.2470 *85 P 3.9215 0.0000 0.0000 62.3258 33.1421 176.0835 86 P 4.1335 0.0000 0.0000 65.9798 31.2475 178.4847 87 L 4.0137 7.8258 118.1347 58.0355 41.7401 178.9073 88 L 3.9250 7.4898 117.8730 57.6725 41.7285 179.0339 89 V 3.5898 7.5466 117.0625 65.8061 31.4760 177.6721 90 A 4.1840 8.1790 120.1682 54.9742 18.6060 180.6463 91 R 4.0007 7.9116 114.3439 56.6201 29.7367 178.0603 *93 R 4.2621 7.7684 113.2066 55.8503 30.4035 176.2749 94 S 4.6714 7.8550 115.0338 60.9737 63.7334 176.0611 95 H 4.1739 8.2297 117.6992 57.8113 28.4727 175.8940 96 S 4.7455 8.0234 110.7139 57.7885 63.9140 174.2206 97 S 4.6961 7.8553 114.8198 55.9932 66.2869 174.2068 98 A 4.0329 8.7187 130.5418 55.1986 18.1975 178.9507 99 Y 3.9932 8.0720 117.6605 61.2267 38.8334 178.5851 100 F 3.9721 7.7561 117.8105 60.0016 38.9530 177.8673 101 R 3.9150 7.7837 118.8785 59.3958 29.9496 178.3694 102 E 3.9956 8.7595 118.6125 58.7771 29.3349 179.2407 103 L 3.7075 7.3151 120.8844 57.9602 42.2003 178.7666 104 V 3.5420 7.5341 118.0834 66.2795 31.5106 177.5976 105 E 3.9451 8.0759 117.9808 59.9736 29.3519 179.7105 106 T 3.8663 7.8288 115.4864 66.5500 68.5448 176.7674 107 R 3.9001 8.1107 120.6911 59.3631 30.0104 178.4516 108 E 3.9666 8.3393 118.4802 59.3965 29.4474 179.5190 109 R 3.8853 7.8994 117.9184 59.2328 30.0369 178.6432 110 L 3.9867 7.9340 120.0764 58.4064 41.8594 179.2090 111 V 3.6915 7.7211 117.6743 65.5020 31.4033 178.3922 112 R 3.9197 8.1200 118.2096 59.4236 29.9774 178.7803 113 D 4.4349 8.6703 118.6456 56.8507 40.7332 178.8129 114 A 4.0571 7.7098 121.9081 55.3153 18.4928 179.4286 115 D 4.4153 8.4609 117.6325 57.4285 40.7729 178.8096 116 D 4.3659 8.4601 120.1046 57.2386 40.8099 178.4827 117 F 3.7963 8.2166 121.1662 61.1404 39.3288 177.0438 118 V 3.6750 8.0701 117.6217 66.1314 31.2566 177.4519 119 A 3.9837 8.0778 120.2422 55.3673 18.3174 179.6829 120 V 3.3844 7.8429 116.0389 66.2487 31.7682 178.1235 121 A 4.0793 8.5360 120.6084 55.0259 17.9002 179.8105 122 I 3.6556 7.9598 117.9007 64.6963 37.4081 177.9185 123 A 4.1344 7.9648 120.4098 55.2722 18.0365 179.8568 124 G 3.1157 7.4699 102.8349 47.1052 0.0000 173.7972 125 F 4.5306 7.7802 123.6780 57.1104 40.1285 174.6589 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 K 8.31 4.20 0.00 1.74 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 I 7.45 4.22 1.86 0.00 0.00 0.79 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 0.85 0.91 0.00 0.00 4 K 8.73 4.10 0.00 1.72 1.80 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 5 H 9.17 4.05 0.00 3.20 3.32 0.00 5.87 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 6 E 8.05 3.95 0.00 2.08 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 1.96 2.13 0.00 7 H 7.98 4.50 0.00 3.22 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.53 3.97 1.95 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 1.52 0.63 0.90 0.00 0.00 9 R 7.64 3.99 0.00 1.71 2.05 0.00 3.32 0.00 0.00 3.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *11 A 7.88 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 *13 N 8.20 4.82 0.00 2.89 3.01 0.00 0.00 6.89 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 14 A 8.11 4.07 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 15 W 8.67 4.53 0.00 3.39 3.31 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 16 A 7.62 4.30 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 17 H 8.25 3.91 0.00 3.20 3.43 0.00 5.79 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 18 P 0.00 4.20 0.00 2.16 2.10 0.00 3.90 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 2.17 2.25 0.00 19 D 7.96 4.76 0.00 2.62 2.61 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 20 G 8.22 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 21 E 8.03 3.54 0.00 1.58 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 1.47 1.77 0.00 22 K 7.79 3.95 0.00 1.75 1.80 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.48 7.81 23 V 7.27 3.45 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 1.15 0.00 0.00 0.89 0.00 0.00 24 P 0.00 2.97 0.00 2.03 1.12 0.00 3.49 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.79 0.00 25 A 7.59 4.05 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 26 A 7.98 3.95 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 27 E 8.26 4.02 0.00 2.25 2.36 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 2.56 2.84 0.00 28 I 8.79 3.98 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.27 0.94 0.00 0.00 29 T 8.26 3.86 4.49 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 1.51 0.00 0.00 30 R 8.00 4.11 0.00 2.05 2.20 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 31 A 8.06 4.52 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 32 Y 7.99 3.99 0.00 2.91 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 33 F 8.19 4.32 0.00 3.30 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 34 E 8.12 4.07 0.00 2.22 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 2.41 2.78 0.00 35 L 8.07 4.45 0.00 1.54 1.67 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.24 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 *38 T 8.25 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 1.19 0.00 0.00 39 F 7.88 4.80 0.00 2.90 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 40 P 0.00 3.44 0.00 1.78 0.93 0.00 3.59 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.18 0.00 41 E 8.35 4.33 0.00 1.96 1.80 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 2.37 2.29 0.00 42 L 7.89 4.33 0.00 0.27 0.76 0.69 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.39 4.54 0.00 3.04 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 44 D 8.89 4.50 0.00 2.23 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 45 D 8.49 4.51 0.00 2.72 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 46 S 7.65 4.60 0.00 4.06 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 47 H 8.67 4.77 0.00 3.35 3.09 0.00 5.64 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 48 P 0.00 4.12 0.00 2.13 2.04 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 49 E 8.29 4.26 0.00 2.02 1.87 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 2.32 2.34 0.00 50 A 7.03 3.47 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 51 L 8.31 3.82 0.00 1.78 1.72 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.01 3.96 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 53 R 8.19 3.95 0.00 2.23 2.33 0.00 3.02 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 54 N 8.83 4.28 0.00 2.81 2.80 0.00 0.00 7.04 7.05 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 55 T 8.09 3.88 4.35 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 1.14 0.00 0.00 56 Q 7.56 3.87 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 57 K 7.72 3.24 0.00 1.75 0.97 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.98 1.23 7.81 58 I 7.55 3.58 1.84 0.00 0.00 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 1.55 1.12 0.59 0.00 0.00 59 F 8.08 4.12 0.00 3.10 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 60 R 7.35 3.91 0.00 1.83 1.62 0.00 3.18 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 61 W 7.64 4.52 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 62 V 7.50 3.68 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 0.80 0.00 0.00 0.64 0.00 0.00 63 E 8.04 4.18 0.00 2.21 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 2.41 2.61 0.00 64 K 7.22 4.50 0.00 1.89 1.81 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.60 7.81 65 D 8.35 4.93 0.00 2.63 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 66 T 7.70 4.30 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 67 P 0.00 4.16 0.00 2.16 2.14 0.00 3.59 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 2.11 2.14 0.00 68 D 8.01 4.20 0.00 2.79 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 69 A 7.57 3.82 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.22 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 0.96 0.00 0.00 0.76 0.00 0.00 71 E 8.33 4.00 0.00 2.22 2.21 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 2.49 2.32 0.00 72 K 7.33 3.42 0.00 0.89 0.74 0.00 1.51 0.00 0.00 0.81 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.77 7.81 73 I 7.50 3.77 1.90 0.00 0.00 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 1.73 1.06 0.92 0.00 0.00 74 Q 8.04 3.93 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 75 A 7.78 4.06 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 76 L 7.91 4.11 0.00 1.94 1.70 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.54 3.89 0.00 1.94 1.72 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.27 0.00 2.16 2.11 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 79 A 8.10 4.19 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 4.02 2.09 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 1.74 0.89 1.02 0.00 0.00 81 E 8.44 3.93 0.00 1.88 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 2.28 2.44 0.00 82 K 7.91 4.14 0.00 1.97 1.89 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.62 7.81 83 S 7.79 4.74 0.00 4.35 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 0.00 *85 P 0.00 3.92 0.00 1.95 1.89 0.00 2.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 86 P 0.00 4.13 0.00 2.11 2.11 0.00 3.52 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 2.09 2.12 0.00 87 L 7.83 4.01 0.00 1.66 1.61 0.90 0.62 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 88 L 7.49 3.92 0.00 1.63 1.56 0.93 0.79 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 89 V 7.55 3.59 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 0.67 0.00 0.00 0.82 0.00 0.00 90 A 8.18 4.18 1.39 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 0.00 0.00 91 R 7.91 4.00 0.00 2.00 1.95 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 *93 R 7.77 4.26 0.00 1.64 1.83 0.00 2.64 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 94 S 7.86 4.67 0.00 4.05 4.34 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 95 H 8.23 4.17 0.00 2.96 3.27 0.00 5.85 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.02 4.75 0.00 3.98 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 97 S 7.86 4.70 0.00 4.11 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 0.00 98 A 8.72 4.03 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 99 Y 8.07 3.99 0.00 2.86 2.70 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 0.00 100 F 7.76 3.97 0.00 3.38 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 0.00 101 R 7.78 3.92 0.00 2.10 2.08 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 102 E 8.76 4.00 0.00 2.02 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 2.30 2.45 0.00 103 L 7.32 3.71 0.00 1.65 1.59 0.60 0.39 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 0.00 104 V 7.53 3.54 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 0.95 0.00 0.00 0.98 0.00 0.00 105 E 8.08 3.95 0.00 2.17 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 2.32 2.34 0.00 106 T 7.83 3.87 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 1.18 0.00 0.00 107 R 8.11 3.90 0.00 1.90 2.13 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 108 E 8.34 3.97 0.00 2.15 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 2.58 2.48 0.00 109 R 7.90 3.89 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 110 L 7.93 3.99 0.00 1.94 1.71 0.91 0.72 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 0.00 111 V 7.72 3.69 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 1.13 0.00 0.00 0.96 0.00 0.00 112 R 8.12 3.92 0.00 2.05 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 113 D 8.67 4.43 0.00 2.67 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 0.00 114 A 7.71 4.06 1.37 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 0.00 0.00 115 D 8.46 4.42 0.00 2.86 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 0.00 116 D 8.46 4.37 0.00 2.92 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 0.00 117 F 8.22 3.80 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 0.00 118 V 8.07 3.67 2.32 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 1.09 0.00 0.00 1.03 0.00 0.00 119 A 8.08 3.98 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 0.00 120 V 7.84 3.38 1.92 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 0.78 0.00 0.00 0.85 0.00 0.00 121 A 8.54 4.08 1.55 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 0.00 122 I 7.96 3.66 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.92 0.00 0.00 123 A 7.96 4.13 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 0.00 124 G 7.47 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 0.00 0.00 0.00 125 F 7.78 4.53 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.