NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.6681 8.1700 120.3153 54.6165 42.8382 173.8065 2 K 4.8164 8.7591 123.3250 54.3127 36.1948 168.8925 3 V 4.9855 9.3233 124.9192 61.4597 34.4497 174.0842 4 T 4.6660 9.3233 124.8413 61.9426 71.1170 173.2457 5 Q 5.1699 8.7469 125.4928 53.8648 29.6304 175.6038 6 S 4.5216 8.8476 120.2940 59.8123 63.7407 175.3838 7 S 4.5094 8.1023 116.0537 57.5277 63.3439 172.5546 8 P 4.5701 0.0000 0.0000 62.1352 32.2685 175.7224 9 D 4.8476 8.3707 119.6949 54.8420 41.5138 175.6942 10 Q 4.6747 9.2653 119.3038 55.3637 32.5546 173.1611 11 T 5.2063 8.4605 117.1690 61.9106 70.9173 173.8846 12 V 4.6310 9.0352 124.7232 59.7583 35.8139 174.3704 13 A 4.7132 8.3977 122.7692 51.1208 19.7018 177.1702 14 S 4.1501 8.7159 116.0078 60.1335 62.8904 175.5956 15 G 3.9761 9.1307 116.1754 45.1732 0.0000 173.6770 16 S 4.4757 7.7717 116.0478 58.1220 64.7663 172.3216 17 E 4.9034 8.4644 121.6401 54.5714 31.1677 175.0114 18 V 4.3623 8.6428 126.5108 60.9059 34.9617 174.0777 19 V 4.5073 8.2441 126.5493 61.0552 33.7137 174.3283 20 L 4.5187 8.8235 128.8571 53.0640 43.2113 175.8053 21 L 4.8503 8.6695 124.8735 54.4359 43.6171 175.4883 22 C 5.4419 9.0701 121.8052 55.8051 44.2545 172.4650 23 T 5.4160 9.3530 116.4371 60.0106 71.6301 172.2283 24 Y 5.2682 8.2826 122.7367 55.3563 40.7966 175.0164 25 D 4.7879 9.6340 122.1420 53.1371 42.8951 174.2428 26 T 5.3317 8.0484 118.1969 61.1743 70.3179 173.2709 27 V 4.0727 8.0367 123.3910 62.7586 32.5254 175.7027 28 Y 4.2809 7.1873 117.1830 58.2862 38.2374 175.6419 29 S 4.0870 8.7917 119.1822 59.6651 63.5713 173.7215 30 N 4.0547 8.7691 124.7593 54.0933 36.7657 171.6259 31 P 4.4879 0.0000 0.0000 62.3365 33.1414 176.4185 32 D 4.4325 8.4760 119.8463 54.1783 42.2355 175.3133 33 L 4.9056 7.9707 122.7576 52.9886 45.0310 175.4963 34 F 5.5702 8.9521 119.2254 56.0821 44.3842 173.5058 35 W 5.6572 9.4762 120.0169 55.5516 32.5442 174.2926 36 Y 5.7007 10.1585 122.3292 56.3523 42.0560 174.7589 37 R 5.2091 9.4600 116.8624 54.7384 33.5586 173.5286 38 I 4.4401 8.4033 122.2534 59.2399 40.3476 175.1016 39 R 4.6549 8.6067 128.4140 54.2748 31.6681 175.7035 40 P 4.1721 0.0000 0.0000 65.8807 31.3266 177.2938 41 D 4.1766 7.8147 114.5368 53.5597 39.2855 176.5441 42 Y 4.0123 8.0694 116.7953 58.0582 36.4518 168.9998 43 S 4.5469 8.1457 116.3185 58.0544 64.3784 173.4607 44 F 5.2138 8.9026 122.5598 56.2995 41.0800 175.1848 45 Q 4.8814 9.5918 120.5038 53.9834 32.6147 174.5352 46 F 4.5100 9.5096 126.8029 58.8537 39.8796 173.7155 47 V 3.8944 8.2522 125.0898 63.8999 33.4878 174.8733 48 F 4.8036 7.3707 120.6672 56.9041 43.0473 171.6613 49 Y 5.2122 9.3233 124.5578 56.1305 42.7257 174.1940 50 G 4.0497 6.2211 107.7827 45.9182 0.0000 172.7897 51 D 4.7617 7.9246 122.4019 51.5364 41.6386 175.9857 52 D 4.5243 9.1635 118.0825 55.3984 39.5870 176.7115 53 S 4.6700 8.6404 112.7728 57.6803 64.6293 173.3389 54 R 4.9821 7.7998 115.0236 55.2129 33.3085 173.8584 55 S 5.2144 8.4809 112.4203 57.2954 66.1186 173.2591 56 E 4.6184 9.8840 123.2687 54.9002 32.9264 174.8401 57 G 2.9941 8.1383 113.2592 42.9053 0.0000 172.5446 57A A 4.3468 7.6351 122.4761 51.4651 18.8740 178.7562 57B D 4.2582 8.7516 118.6967 57.3874 40.9708 178.9413 57C F 4.2150 7.7481 111.9711 58.3206 38.4396 176.1893 57D T 3.4617 6.8171 111.8818 62.7951 69.0281 174.0361 57E Q 4.0281 7.1422 123.6743 59.2601 28.8226 174.8438 58 G 4.2718 9.0440 115.0217 45.4424 0.0000 173.7561 59 R 4.8738 8.3498 115.7922 54.6098 33.2924 175.5664 60 F 5.4563 8.2762 116.4385 56.0421 41.9749 175.1320 61 S 4.4424 8.2823 112.9035 57.6885 66.3201 174.2597 62 V 4.3607 7.7091 114.0979 59.3405 34.5903 175.5657 63 K 4.2267 8.8460 126.0979 55.0661 33.4279 174.0749 64 H 5.0337 8.6866 127.5774 55.1484 30.6870 174.5912 65 I 4.2520 8.6231 129.0380 59.4949 37.7907 176.7216 66 L 4.0126 8.6181 128.6347 57.9171 41.7864 180.2936 67 T 3.8531 7.9645 107.0295 64.0569 68.6388 174.6336 68 Q 4.3219 7.9447 117.6146 54.4556 30.0196 175.0578 69 K 3.1190 7.4933 117.1698 57.4466 30.2293 174.2036 70 A 5.1900 7.9434 119.2494 50.0247 22.0622 177.4632 71 F 5.4249 9.0111 122.9667 57.1303 38.9864 173.3338 72 H 4.9915 8.7652 119.4385 55.2172 30.6810 174.7139 73 L 4.4558 8.5639 125.2619 53.1983 44.1196 175.0633 74 V 4.5022 8.5686 126.0446 61.0225 34.4813 173.9312 75 I 4.2261 8.2565 129.0195 59.4261 39.4343 175.0849 76 S 4.5782 8.9873 123.5272 56.8502 65.1254 171.5553 77 P 4.8882 0.0000 0.0000 61.7494 33.2556 175.8619 78 V 4.1630 8.4134 114.3583 61.1661 33.3583 175.4153 79 R 5.1227 9.3179 121.2201 53.0835 34.2942 176.8297 80 T 3.8941 8.6216 110.1057 64.6889 68.7881 176.2747 81 E 4.0806 8.1205 118.8088 58.6230 29.6866 177.2709 82 D 4.6969 8.0024 118.2071 55.2645 41.2836 176.6859 83 S 4.3234 8.0207 116.4887 59.3053 63.0393 173.3705 84 A 4.3156 8.3077 126.0266 52.3333 23.8033 174.2613 85 T 4.9936 7.8418 114.8989 62.4184 70.7898 173.8869 86 Y 5.3546 9.4992 125.0535 57.1537 40.1855 174.2089 87 Y 5.3316 10.1739 121.6825 56.4989 41.4948 173.8358 88 C 4.8242 9.2952 123.7775 55.0954 45.4002 172.1555 89 A 5.3664 8.5591 124.4244 51.7234 22.7972 175.0940 90 F 5.3492 7.8409 113.5419 55.3191 41.8184 173.8151 91 T 4.8801 8.9211 117.3554 62.5829 69.7307 174.7577 92 L 4.1802 8.7348 126.5341 53.6518 43.4426 174.7481 *98 P 4.2863 0.0000 0.0000 61.5400 32.4248 174.1057 99 P 4.8334 0.0000 0.0000 61.6082 31.5773 175.1565 100 P 4.4926 0.0000 0.0000 64.0808 31.8417 177.7024 101 T 3.7938 7.8054 116.0874 66.7971 69.0169 174.9527 102 D 4.6951 7.7703 118.2999 54.5495 39.1799 173.1205 103 K 4.6450 7.3085 115.9572 54.5311 36.8590 176.9920 104 L 4.6235 8.1997 121.6043 53.7731 43.6151 176.0989 105 I 4.2657 7.4568 122.4267 59.5422 39.5979 174.9086 106 F 5.1587 8.8913 125.5421 55.8970 41.2205 175.9360 107 G 4.2117 9.1744 110.0790 45.1717 0.0000 174.1337 108 K 4.2869 8.7590 118.4658 58.0327 32.9942 178.3436 109 G 3.2016 8.7859 106.1043 45.4903 0.0000 172.6490 110 T 4.7742 8.6998 118.4268 61.4186 72.1002 173.2055 111 R 4.6605 9.2203 127.9767 55.9804 31.8937 175.3917 112 V 4.7642 9.0809 125.5566 61.7254 34.6137 173.8857 113 T 4.8693 9.0443 126.2578 61.9055 70.4879 173.9617 114 V 4.8094 8.8160 127.5337 61.2889 33.1762 174.5773 115 E 4.7332 9.0708 128.4877 53.9574 31.7269 174.7943 116 P 4.3935 0.0000 0.0000 63.0841 31.6112 176.0914 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 D 8.17 5.67 0.00 2.86 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 2 K 8.76 4.82 0.00 1.96 1.68 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.59 7.81 3 V 9.32 4.99 2.24 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 1.01 0.00 0.00 1.10 0.00 0.00 4 T 9.32 4.67 4.32 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 1.27 0.00 0.00 5 Q 8.75 5.17 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 6 S 8.85 4.52 0.00 3.80 3.94 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 S 8.10 4.51 0.00 3.78 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 8 P 0.00 4.57 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 9 D 8.37 4.85 0.00 2.60 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 10 Q 9.27 4.67 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 11 T 8.46 5.21 4.24 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 1.26 0.00 0.00 12 V 9.04 4.63 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 0.86 0.00 0.00 0.89 0.00 0.00 13 A 8.40 4.71 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 14 S 8.72 4.15 0.00 3.99 3.75 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 15 G 9.13 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 0.00 0.00 0.00 16 S 7.77 4.48 0.00 3.78 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 17 E 8.46 4.90 0.00 1.87 1.74 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 2.08 2.15 0.00 18 V 8.64 4.36 1.84 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 0.76 0.00 0.00 0.81 0.00 0.00 19 V 8.24 4.51 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 0.75 0.00 0.00 0.82 0.00 0.00 20 L 8.82 4.52 0.00 0.77 1.14 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.67 4.85 0.00 1.69 1.62 0.88 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.07 5.44 0.00 3.20 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 23 T 9.35 5.42 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 1.29 0.00 0.00 24 Y 8.28 5.27 0.00 2.81 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 25 D 9.63 4.79 0.00 2.77 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 26 T 8.05 5.33 3.59 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 0.89 0.00 0.00 27 V 8.04 4.07 1.73 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 0.76 0.00 0.00 0.79 0.00 0.00 28 Y 7.19 4.28 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 29 S 8.79 4.09 0.00 3.86 3.82 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 0.00 0.00 0.00 0.00 30 N 8.77 4.05 0.00 2.78 2.75 0.00 0.00 7.17 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 31 P 0.00 4.49 0.00 2.07 1.95 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 32 D 8.48 4.43 0.00 2.82 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 33 L 7.97 4.91 0.00 0.27 0.13 -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.95 5.57 0.00 3.06 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 35 W 9.48 5.66 0.00 3.52 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 36 Y 10.16 5.70 0.00 3.23 3.23 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 37 R 9.46 5.21 0.00 1.02 1.41 0.00 2.49 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 38 I 8.40 4.44 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.07 0.86 0.00 0.00 39 R 8.61 4.65 0.00 1.88 1.77 0.00 3.13 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 40 P 0.00 4.17 0.00 1.96 2.08 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 41 D 7.81 4.18 0.00 2.63 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 42 Y 8.07 4.01 0.00 3.15 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 43 S 8.15 4.55 0.00 3.98 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 44 F 8.90 5.21 0.00 2.97 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 45 Q 9.59 4.88 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 46 F 9.51 4.51 0.00 3.24 3.16 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 47 V 8.25 3.89 2.37 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 1.06 0.00 0.00 1.28 0.00 0.00 48 F 7.37 4.80 0.00 3.12 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 49 Y 9.32 5.21 0.00 3.30 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 50 G 6.22 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 0.00 0.00 0.00 51 D 7.92 4.76 0.00 3.01 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 52 D 9.16 4.52 0.00 2.73 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 53 S 8.64 4.67 0.00 3.95 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 54 R 7.80 4.98 0.00 1.91 2.09 0.00 2.88 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 55 S 8.48 5.21 0.00 4.27 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 56 E 9.88 4.62 0.00 2.14 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 2.20 2.26 0.00 57 G 8.14 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 0.00 0.00 0.00 57A A 7.64 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57B D 8.75 4.26 0.00 2.78 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 57C F 7.75 4.21 0.00 3.11 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 57D T 6.82 3.46 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 -0.17 0.00 0.00 57E Q 7.14 4.03 0.00 1.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.05 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 58 G 9.04 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 0.00 0.00 0.00 59 R 8.35 4.87 0.00 2.04 1.88 0.00 3.60 0.00 0.00 3.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 60 F 8.28 5.46 0.00 2.95 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 61 S 8.28 4.44 0.00 3.76 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 62 V 7.71 4.36 1.15 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 -0.37 0.00 0.00 0.43 0.00 0.00 63 K 8.85 4.23 0.00 1.68 1.65 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 64 H 8.69 5.03 0.00 3.35 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.62 4.25 1.87 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 1.24 0.83 0.91 0.00 0.00 66 L 8.62 4.01 0.00 1.68 1.71 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.96 3.85 4.22 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 1.19 0.00 0.00 68 Q 7.94 4.32 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 69 K 7.49 3.12 0.00 1.43 0.74 0.00 1.24 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 1.19 7.81 70 A 7.94 5.19 1.09 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 0.00 0.00 71 F 9.01 5.42 0.00 2.99 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 72 H 8.77 4.99 0.00 3.10 3.13 0.00 5.65 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 73 L 8.56 4.46 0.00 0.27 0.50 0.40 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.57 4.50 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 0.78 0.00 0.00 0.78 0.00 0.00 75 I 8.26 4.23 1.46 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.17 0.15 0.00 0.00 76 S 8.99 4.58 0.00 3.68 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 77 P 0.00 4.89 0.00 2.07 1.98 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 78 V 8.41 4.16 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 0.53 0.00 0.00 0.97 0.00 0.00 79 R 9.32 5.12 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 80 T 8.62 3.89 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 1.21 0.00 0.00 81 E 8.12 4.08 0.00 2.07 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 0.00 2.33 2.39 0.00 82 D 8.00 4.70 0.00 2.91 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 83 S 8.02 4.32 0.00 3.90 3.86 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 84 A 8.31 4.32 1.11 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 85 T 7.84 4.99 4.37 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 1.11 0.00 0.00 86 Y 9.50 5.35 0.00 3.12 3.41 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 87 Y 10.17 5.33 0.00 3.39 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 88 C 9.30 4.82 0.00 1.35 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 89 A 8.56 5.37 0.74 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 0.00 0.00 90 F 7.84 5.35 0.00 2.91 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 91 T 8.92 4.88 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 1.22 0.00 0.00 92 L 8.73 4.18 0.00 1.46 1.37 0.87 0.84 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 *98 P 0.00 4.29 0.00 2.13 2.10 0.00 2.77 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 99 P 0.00 4.83 0.00 2.04 2.00 0.00 3.69 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 2.01 2.19 0.00 100 P 0.00 4.49 0.00 2.16 2.14 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 101 T 7.81 3.79 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 1.16 0.00 0.00 102 D 7.77 4.70 0.00 2.81 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 0.00 103 K 7.31 4.64 0.00 1.58 1.56 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.60 7.81 104 L 8.20 4.62 0.00 0.96 0.56 0.50 0.56 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 0.00 105 I 7.46 4.27 0.63 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.84 0.73 0.00 0.00 106 F 8.89 5.16 0.00 2.86 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 0.00 107 G 9.17 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 0.00 108 K 8.76 4.29 0.00 1.96 2.05 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 109 G 8.79 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 0.00 0.00 0.00 110 T 8.70 4.77 4.39 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 1.29 0.00 0.00 111 R 9.22 4.66 0.00 1.94 1.83 0.00 3.06 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 112 V 9.08 4.76 2.25 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 0.87 0.00 0.00 0.79 0.00 0.00 113 T 9.04 4.87 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 1.26 0.00 0.00 114 V 8.82 4.81 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 0.81 0.00 0.00 0.94 0.00 0.00 115 E 9.07 4.73 0.00 1.90 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 2.38 0.00 116 P 0.00 4.39 0.00 2.17 2.03 0.00 3.79 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.