NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2223 8.2993 121.7905 56.4000 32.9355 173.9828 4 V 4.3105 8.1178 116.9119 58.7368 33.4701 173.7771 5 C 4.2541 10.1408 127.0382 59.1219 32.7800 175.2782 6 E 4.0524 8.5600 127.2944 59.0793 29.3182 178.0863 7 I 4.2420 7.7744 117.5565 62.1138 38.4072 176.6052 8 S 4.2478 7.9904 112.7549 57.6234 63.7022 175.1270 9 G 3.8940 8.0922 108.1978 45.5429 0.0000 173.8819 10 K 4.2534 7.8723 120.0194 56.7194 33.0840 176.2181 11 R 5.1461 8.2658 118.7402 53.4924 32.8412 172.6066 12 P 4.6485 0.0000 0.0000 63.0342 31.4334 175.1901 13 I 4.4539 8.2300 118.0199 58.9301 40.2051 175.0765 14 V 4.3492 8.2813 124.0506 63.1592 32.7461 174.8539 15 A 4.6339 9.2151 126.7826 51.4947 22.7701 174.1103 16 N 5.8024 8.6799 112.6329 51.0021 42.8741 174.5921 17 S 4.8412 8.1072 112.8102 56.6396 62.5978 171.4859 18 I 4.1009 7.9504 122.6878 61.0192 37.7300 175.2984 19 Q 4.5795 9.4610 126.8811 54.5045 30.2962 174.8851 20 R 4.7498 8.6043 122.7726 54.5044 33.4143 175.5041 21 R 4.6265 9.3018 120.2200 55.4025 34.8651 174.6977 22 G 4.1409 8.9575 107.7196 44.2464 0.0000 173.3994 23 K 4.0146 8.3841 120.8518 55.1209 32.4470 176.6747 24 A 4.0878 8.5158 129.3108 52.5374 17.9720 176.3685 25 K 4.2447 8.3844 118.1799 58.2481 32.9132 178.4768 26 R 4.1494 7.9870 117.5895 58.2319 31.2426 176.7034 27 E 4.7581 6.9808 117.0242 55.3713 30.0598 176.8716 28 G 3.7786 9.2656 113.0301 49.0564 0.0000 174.5361 29 G 3.8976 9.2416 114.1827 46.7933 0.0000 175.3981 30 V 3.4837 9.5701 113.4115 61.0715 30.8272 172.8655 31 G 3.9522 8.4219 104.2532 44.9606 0.0000 172.2696 32 K 4.6432 8.0249 117.1775 54.5530 34.1874 176.3629 33 K 4.7333 8.4049 120.4587 54.9399 36.1642 175.7790 34 T 4.6452 8.5805 120.4780 63.6989 68.9280 174.3935 35 T 4.4271 9.4944 119.5406 62.6741 69.5207 174.0744 36 G 4.1287 7.7309 105.4669 45.9111 0.0000 173.2145 37 I 4.6860 8.3167 121.9745 60.2847 40.2162 174.1542 38 S 4.7871 8.4111 121.4111 56.1966 64.8232 172.8346 39 K 4.9961 8.7994 127.6233 55.6162 32.9565 175.8665 40 R 4.8927 9.3219 123.6238 55.3905 33.2743 173.5369 41 R 5.1564 8.5565 113.3612 55.2898 32.7877 174.2340 42 Q 4.8734 9.0630 120.3299 54.8008 30.8912 174.5698 43 Y 4.7223 8.8850 121.1639 55.7701 39.7598 173.8232 44 P 4.4131 0.0000 0.0000 62.4969 32.8779 177.2370 45 N 4.8822 8.6087 122.3725 53.3462 36.5431 174.1796 46 L 4.8531 7.6357 119.9507 55.4149 42.4161 178.0586 47 Q 4.7235 8.6242 121.8373 54.0416 32.2842 174.4480 48 K 4.7714 8.4539 118.9095 55.8365 34.1517 177.7322 49 V 4.3618 9.0640 122.6585 61.0769 33.1417 173.1813 50 R 4.5689 8.5114 124.9521 55.6077 30.5488 176.1596 51 V 4.3482 8.0758 122.4174 59.8249 34.0763 175.7494 52 R 3.8223 9.1801 121.8495 57.8500 30.3859 177.2608 53 V 3.1757 8.4743 118.1162 64.2972 30.2487 174.4124 54 A 3.6479 7.7054 130.5872 53.1344 16.9489 181.0740 55 G 3.8499 8.8790 108.4137 48.6330 0.0000 172.9275 56 Q 4.5689 7.6736 119.1299 54.6504 31.2035 174.6131 57 E 4.0489 8.3528 116.9228 56.8156 30.8865 177.3940 58 I 2.9418 7.0337 112.8583 61.3675 35.7336 172.1495 59 T 5.1291 8.1060 122.0449 60.0908 70.4172 173.9993 60 F 4.6019 9.0207 125.1471 56.2600 41.1852 174.9130 61 R 5.3263 9.9576 122.4053 53.1308 30.0678 174.1033 62 V 4.5748 7.7919 121.7582 58.8731 34.9946 176.0763 63 A 4.5755 8.4798 124.5489 51.8056 19.4550 178.6293 64 A 4.0410 8.5670 122.8293 55.3401 18.5222 180.5145 65 S 4.4812 8.2142 108.9618 61.2952 63.1013 174.7314 66 H 4.9418 8.0875 117.4031 55.1639 29.4477 175.7790 67 I 3.9084 8.4299 124.8299 63.7026 36.6962 176.4196 68 P 4.3659 0.0000 0.0000 65.7956 31.0509 178.1176 69 K 3.7220 7.4331 117.3826 59.3677 32.1431 178.4821 70 V 3.2690 7.3713 117.9704 66.1497 31.2011 177.7367 71 Y 3.8540 7.6428 115.8740 60.8582 37.7039 177.9695 72 E 4.1298 8.4987 120.1217 58.6562 29.4851 178.5454 73 L 4.0898 7.5816 118.4004 57.2212 41.8263 178.9555 74 V 3.7244 7.5829 117.2366 66.2043 31.8045 176.5580 75 E 4.0805 8.0325 119.0477 58.4158 29.5101 178.8697 76 R 4.3697 8.2866 119.1742 55.5758 28.9607 177.3595 77 A 4.6735 7.6247 117.4500 52.9918 22.1901 178.3210 78 K 4.1509 8.9664 116.8750 59.4785 32.2468 181.3015 79 G 4.1170 7.8282 107.2278 44.9376 0.0000 172.7391 80 L 4.6261 8.7903 120.6603 52.7504 45.4851 175.5620 81 K 4.3783 8.5087 124.5935 54.7822 31.9304 175.3340 82 L 4.9448 8.2038 125.6303 52.9838 45.4556 176.0362 83 E 4.1596 8.3430 124.9317 54.2031 32.0940 171.9167 84 G 3.8526 9.0100 121.3523 45.8951 0.0000 174.3439 85 L 4.7226 8.6225 124.9854 54.7378 39.6633 177.2505 86 S 4.6922 7.7347 120.9290 55.6133 63.1993 174.2440 87 P 4.1346 0.0000 0.0000 66.9035 31.5151 177.8049 88 K 3.8998 8.0499 119.2170 59.0412 31.7406 178.4104 89 E 3.9819 8.8403 119.3693 59.3333 29.1494 179.0427 90 I 3.7266 7.8032 118.5936 64.7852 37.3355 177.6064 91 K 4.0815 7.8030 119.6078 58.8197 31.9879 178.8067 92 K 3.8741 8.1506 117.7378 60.1840 32.5635 178.8002 93 E 4.0879 9.1254 117.3984 57.1775 29.2055 177.0723 94 L 4.4074 8.1174 120.8668 54.5058 41.9637 176.8553 95 L 3.7900 8.2288 121.8277 55.8630 42.3936 174.9740 *96 K 4.1330 7.8464 123.0736 55.2528 32.3453 180.9219 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 K 8.30 4.22 0.00 1.73 1.75 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 4 V 8.12 4.31 2.06 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 0.74 0.00 0.00 0.92 0.00 0.00 5 C 10.14 4.25 0.00 2.93 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 6 E 8.56 4.05 0.00 2.18 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 0.00 2.36 2.58 0.00 7 I 7.77 4.24 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 0.93 0.00 0.00 8 S 7.99 4.25 0.00 3.48 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 3.89 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 0.00 0.00 0.00 10 K 7.87 4.25 0.00 1.69 1.73 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.34 7.81 11 R 8.27 5.15 0.00 1.69 1.80 0.00 3.03 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 12 P 0.00 4.65 0.00 1.62 1.56 0.00 3.23 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 13 I 8.23 4.45 1.86 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 1.23 0.65 0.92 0.00 0.00 14 V 8.28 4.35 2.07 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 0.87 0.00 0.00 0.91 0.00 0.00 15 A 9.22 4.63 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 16 N 8.68 5.80 0.00 2.62 2.72 0.00 0.00 6.98 8.24 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 17 S 8.11 4.84 0.00 3.84 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 18 I 7.95 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.96 0.00 0.00 19 Q 9.46 4.58 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 20 R 8.60 4.75 0.00 1.65 1.80 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 21 R 9.30 4.63 0.00 1.68 1.75 0.00 3.09 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 22 G 8.96 4.14 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 0.00 23 K 8.38 4.01 0.00 1.73 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 24 A 8.52 4.09 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 25 K 8.38 4.24 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 26 R 7.99 4.15 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 E 6.98 4.76 0.00 2.18 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 2.26 2.23 0.00 28 G 9.27 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 29 G 9.24 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 30 V 9.57 3.48 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 8.42 3.95 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 0.00 0.00 0.00 32 K 8.02 4.64 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 33 K 8.40 4.73 0.00 1.64 1.64 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 34 T 8.58 4.65 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 1.32 0.00 0.00 35 T 9.49 4.43 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 1.27 0.00 0.00 36 G 7.73 4.13 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 0.00 37 I 8.32 4.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.95 0.00 0.00 38 S 8.41 4.79 0.00 3.94 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 39 K 8.80 5.00 0.00 1.80 1.71 0.00 1.51 0.00 0.00 0.61 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.35 7.81 40 R 9.32 4.89 0.00 1.91 2.02 0.00 3.01 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 41 R 8.56 5.16 0.00 1.79 1.95 0.00 3.10 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 42 Q 9.06 4.87 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 43 Y 8.88 4.72 0.00 2.86 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 44 P 0.00 4.41 0.00 2.06 1.99 0.00 3.69 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 2.01 2.06 0.00 45 N 8.61 4.88 0.00 2.84 2.76 0.00 0.00 6.92 6.66 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 46 L 7.64 4.85 0.00 1.77 1.76 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.62 4.72 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 48 K 8.45 4.77 0.00 1.64 1.76 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 49 V 9.06 4.36 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 0.85 0.00 0.00 0.97 0.00 0.00 50 R 8.51 4.57 0.00 1.79 1.91 0.00 3.23 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 51 V 8.08 4.35 1.86 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 0.81 0.00 0.00 0.76 0.00 0.00 52 R 9.18 3.82 0.00 1.87 2.01 0.00 3.54 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 53 V 8.47 3.18 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 0.98 0.00 0.00 54 A 7.71 3.65 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 55 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 56 Q 7.67 4.57 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 57 E 8.35 4.05 0.00 1.91 1.94 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 2.21 2.28 0.00 58 I 7.03 2.94 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 1.02 0.00 0.00 59 T 8.11 5.13 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 1.22 0.00 0.00 60 F 9.02 4.60 0.00 2.97 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 61 R 9.96 5.33 0.00 1.77 1.78 0.00 3.28 0.00 0.00 3.34 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 62 V 7.79 4.57 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 0.71 0.00 0.00 1.03 0.00 0.00 63 A 8.48 4.58 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 64 A 8.57 4.04 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 65 S 8.21 4.48 0.00 4.07 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 0.00 66 H 8.09 4.94 0.00 3.16 3.28 0.00 5.81 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 67 I 8.43 3.91 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 1.03 0.00 0.00 68 P 0.00 4.37 0.00 2.28 2.33 0.00 3.67 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 2.06 2.01 0.00 69 K 7.43 3.72 0.00 1.86 1.95 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 70 V 7.37 3.27 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 0.23 0.00 0.00 0.45 0.00 0.00 71 Y 7.64 3.85 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 4.13 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 2.30 2.49 0.00 73 L 7.58 4.09 0.00 1.77 1.58 0.78 0.72 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 74 V 7.58 3.72 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 0.85 0.00 0.00 0.85 0.00 0.00 75 E 8.03 4.08 0.00 2.19 2.07 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 2.31 2.37 0.00 76 R 8.29 4.37 0.00 1.98 2.01 0.00 3.08 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 77 A 7.62 4.67 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 78 K 8.97 4.15 0.00 1.79 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.76 7.81 79 G 7.83 4.12 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 80 L 8.79 4.63 0.00 1.52 1.48 0.93 0.51 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 81 K 8.51 4.38 0.00 1.74 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.79 1.41 7.81 82 L 8.20 4.94 0.00 1.63 1.52 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.34 4.16 0.00 1.88 1.67 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 2.21 2.37 0.00 84 G 9.01 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 85 L 8.62 4.72 0.00 1.64 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.73 4.69 0.00 3.96 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 87 P 0.00 4.13 0.00 2.25 2.35 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 88 K 8.05 3.90 0.00 1.84 1.81 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 89 E 8.84 3.98 0.00 2.14 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 2.31 2.33 0.00 90 I 7.80 3.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.73 0.93 0.00 0.00 91 K 7.80 4.08 0.00 1.69 1.84 0.00 1.27 0.00 0.00 1.44 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.75 7.81 92 K 8.15 3.87 0.00 2.04 2.19 0.00 1.26 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 93 E 9.13 4.09 0.00 1.99 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 0.00 2.35 2.39 0.00 94 L 8.12 4.41 0.00 1.95 1.93 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.23 3.79 0.00 1.78 1.91 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.85 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.