NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2473 8.2993 121.7874 56.2847 33.3468 174.6127 7 S 4.6024 8.2258 118.0701 56.2485 66.0419 171.7710 8 H 4.7353 9.2202 118.8068 54.4243 32.6799 175.2604 9 N 4.7072 8.5152 123.0309 51.7118 37.1023 175.6200 10 L 4.0277 8.1748 122.6993 56.8760 42.1385 178.2042 11 L 4.5149 7.6822 116.0970 54.4454 42.0909 177.0330 12 E 4.0365 8.2650 121.2068 58.8399 29.9051 177.5008 13 A 4.6360 7.3684 119.2047 49.9863 19.0612 174.7449 14 V 3.3791 7.7458 120.2843 62.1121 32.4924 175.1979 15 R 4.3763 8.1799 127.3580 54.6976 30.6736 174.8785 16 F 4.8203 8.5588 124.0782 55.8037 40.9889 174.8353 17 D 5.0099 8.4626 122.3665 52.3598 43.3813 175.9000 18 D 4.5080 9.0279 128.6630 57.7010 41.2261 178.1097 19 Q 4.2893 8.3797 116.8195 56.8408 28.6861 179.4717 20 R 4.6923 7.6201 114.6839 54.4784 32.9315 173.9826 21 F 4.6577 8.6302 116.9590 57.7027 38.7005 174.8183 22 V 4.1010 8.6645 121.2056 61.5255 34.6172 173.8588 *24 E 4.2374 8.3802 119.5002 55.7912 30.9097 175.3215 25 L 4.1743 8.4298 127.0883 55.3353 42.1727 176.2502 26 V 3.8917 8.5726 127.1658 65.1662 32.5808 175.5709 27 H 4.8662 7.6719 117.6853 55.0812 33.3227 171.9199 28 E 5.1288 8.3325 125.0100 54.9158 32.0447 174.2013 29 S 4.6378 9.0076 120.5749 56.8656 66.3218 174.5208 30 E 4.0998 8.6811 117.4586 58.9653 29.4898 177.8511 31 N 4.4469 7.7677 117.1176 55.3193 39.2780 174.6329 32 F 5.1673 7.4565 107.7347 55.9792 42.0689 172.9460 33 K 5.0951 8.9918 120.4477 54.6712 34.9634 174.5225 34 I 4.8668 9.0677 128.3283 59.5074 39.8470 174.7869 35 V 4.7687 9.0853 127.0923 60.9711 34.9099 174.2556 36 S 5.2714 8.7176 121.9199 56.6897 65.4952 173.3515 37 F 4.7454 9.0118 119.8322 55.9761 42.4664 173.9451 38 T 4.6824 8.8396 120.4804 61.6134 70.6745 173.2219 39 F 5.6233 8.7174 124.1829 55.5896 42.7235 175.1789 40 K 4.3565 10.0514 122.7489 55.4927 32.7769 176.5202 41 A 4.2179 8.8896 125.1012 54.3860 18.5712 177.3936 42 G 4.0975 8.8443 111.2361 45.4978 0.0000 174.2349 43 Q 4.4781 8.2370 118.2122 56.1129 30.1400 175.1137 44 E 4.7328 8.6744 120.7012 54.7217 33.3551 174.3295 45 L 4.1990 8.7905 129.1912 53.0711 42.7738 174.1329 46 P 4.7427 0.0000 0.0000 62.3170 32.2653 176.7326 47 V 3.8823 8.3211 123.0261 63.8324 32.2605 174.6508 48 H 4.7758 8.6758 122.1710 55.4936 32.3177 171.9759 49 S 4.7841 8.3678 112.2459 57.5872 65.8216 172.7042 50 H 4.8786 8.9092 116.2401 53.4547 32.1701 174.0835 51 N 4.9799 8.4916 120.5882 52.6267 37.1680 174.2030 52 I 4.5952 7.1413 119.2073 59.3808 41.6154 175.7983 53 E 4.2913 8.6672 124.5120 56.0387 28.7754 175.5348 54 G 4.0910 7.4245 110.5167 46.3082 0.0000 169.6553 55 E 5.4778 8.8568 118.6104 54.5125 34.3802 174.8892 56 L 5.4196 9.0159 120.9913 54.1291 44.7013 174.9056 57 N 5.5312 9.0771 116.4288 51.1693 41.0128 173.1764 58 I 4.9421 8.5236 121.9865 59.6242 40.4336 174.4103 59 V 4.7874 8.8690 127.8197 61.0118 34.1738 174.7366 60 V 4.2572 8.9175 128.8952 62.4676 31.3924 176.3619 61 L 4.2726 8.9424 130.0813 57.3241 42.1361 177.6345 62 E 4.5557 8.0578 116.5552 55.6875 32.6042 176.0491 63 G 4.2974 8.7648 112.4564 45.2820 0.0000 171.6411 64 E 4.9209 8.5585 116.5008 54.9720 33.8296 175.3420 65 G 3.8818 8.5422 110.1595 45.8942 0.0000 171.3065 66 E 5.0557 8.7433 120.6750 54.7788 34.6059 174.7309 67 F 5.0919 9.0323 122.6886 56.6760 40.9423 174.9185 68 V 4.7518 9.0363 123.1616 61.2373 34.1267 174.6176 69 G 4.3675 8.3180 117.6110 44.1488 0.0000 172.0408 70 D 4.3900 8.6627 120.9210 55.1184 41.6744 176.6781 71 G 3.7267 9.1543 113.6518 47.7456 0.0000 175.0537 72 D 4.3933 8.5611 114.3443 53.0656 38.0898 175.7901 73 A 4.2853 7.5749 121.4160 53.1583 19.2496 177.4906 74 V 4.9656 8.4215 115.1797 59.5033 35.2959 175.1385 75 I 4.5725 8.6717 124.7544 58.6291 40.0511 173.4050 76 P 4.3604 0.0000 0.0000 62.8657 31.9062 176.8550 77 A 4.4627 8.3912 127.4485 49.2447 18.2891 173.6400 78 P 4.6584 0.0000 0.0000 61.1260 33.7845 176.7553 79 R 3.9444 7.6390 120.3281 58.3939 30.0783 176.7499 80 G 3.9330 9.3323 113.1379 45.1617 0.0000 173.3059 81 A 4.4970 8.1530 122.6497 51.6854 19.8292 177.3038 82 V 4.8816 8.3372 119.8506 59.9166 34.1092 174.4986 83 L 4.2098 8.3200 127.8667 53.1613 43.8393 175.0652 84 V 4.8190 8.0092 124.7812 61.1137 33.9717 174.1503 85 A 4.6504 8.6155 127.7240 50.0803 23.0337 173.8606 86 P 4.7611 0.0000 0.0000 62.4375 32.3231 178.3210 87 I 3.7728 8.5249 122.6199 64.3333 37.1636 178.5902 88 S 4.5729 7.8441 112.4511 59.5637 63.4971 174.2646 89 T 4.2945 7.3123 118.5038 62.2481 68.7461 173.1094 90 P 4.5873 0.0000 0.0000 63.3759 32.6717 174.9579 91 H 5.1456 9.2298 119.3837 54.3356 32.3210 172.5772 92 G 4.4338 9.2527 107.4793 45.1919 0.0000 171.3012 93 V 4.8938 8.5346 118.7072 60.8716 35.4079 173.9467 94 R 4.5798 8.5699 126.9411 54.1924 32.9990 173.9661 95 A 4.2010 8.3272 129.2312 51.9019 19.1475 177.8184 96 V 3.7301 8.8040 124.3346 65.0938 32.4115 176.0539 97 T 4.5721 7.4908 107.7042 59.2079 71.5811 173.1980 98 D 4.9265 8.1859 119.7272 54.0081 41.4385 175.5327 *100 K 4.6417 8.3077 121.4976 56.6473 33.5992 174.8837 101 V 5.0870 9.0110 120.0157 59.4599 35.9264 174.1271 102 L 5.0446 9.0514 124.9645 53.3428 44.9132 175.0852 103 V 4.8844 9.3952 127.0071 61.5354 33.9537 174.1116 104 T 4.9430 8.7449 124.8028 61.7948 71.2021 173.2617 105 I 4.9190 8.8554 127.3024 59.4208 40.3131 174.6520 106 A 4.9462 9.3327 128.9308 49.7550 22.0965 174.1523 107 P 4.7066 0.0000 0.0000 61.6106 32.1930 175.0881 108 P 4.5130 0.0000 0.0000 64.5869 31.8615 176.5462 109 I 4.2057 7.4538 124.4245 61.5838 38.0951 174.7923 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 6 K 8.30 4.25 0.00 1.71 1.78 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.32 7.81 7 S 8.23 4.60 0.00 4.02 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 8 H 9.22 4.74 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.52 4.71 0.00 2.88 2.77 0.00 0.00 7.13 6.74 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 10 L 8.17 4.03 0.00 1.62 1.70 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.68 4.51 0.00 1.63 1.69 0.98 0.89 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 12 E 8.26 4.04 0.00 2.00 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 0.00 2.32 2.26 0.00 13 A 7.37 4.64 1.20 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 14 V 7.75 3.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.88 0.00 0.00 15 R 8.18 4.38 0.00 1.71 1.70 0.00 3.25 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 16 F 8.56 4.82 0.00 3.10 2.98 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 17 D 8.46 5.01 0.00 2.60 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 18 D 9.03 4.51 0.00 2.73 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 19 Q 8.38 4.29 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 20 R 7.62 4.69 0.00 1.63 1.66 0.00 3.02 0.00 0.00 2.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 21 F 8.63 4.66 0.00 2.78 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 22 V 8.66 4.10 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 0.78 0.00 0.00 0.94 0.00 0.00 *24 E 8.38 4.24 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 25 L 8.43 4.17 0.00 1.56 1.52 0.96 0.99 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 26 V 8.57 3.89 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 0.45 0.00 0.00 0.83 0.00 0.00 27 H 7.67 4.87 0.00 3.22 3.00 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.33 5.13 0.00 1.92 1.71 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 2.18 2.31 0.00 29 S 9.01 4.64 0.00 4.03 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 30 E 8.68 4.10 0.00 2.08 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 2.25 2.29 0.00 31 N 7.77 4.45 0.00 2.16 2.44 0.00 0.00 6.79 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 32 F 7.46 5.17 0.00 3.07 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 33 K 8.99 5.10 0.00 1.87 1.69 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 I 9.07 4.87 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.18 0.75 0.00 0.00 35 V 9.09 4.77 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 0.50 0.00 0.00 0.87 0.00 0.00 36 S 8.72 5.27 0.00 3.84 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 37 F 9.01 4.75 0.00 2.83 2.14 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 38 T 8.84 4.68 4.07 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 0.53 0.00 0.00 39 F 8.72 5.62 0.00 3.05 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 40 K 10.05 4.36 0.00 1.86 1.75 0.00 1.11 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.65 1.58 7.81 41 A 8.89 4.22 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 42 G 8.84 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 0.00 0.00 0.00 43 Q 8.24 4.48 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 44 E 8.67 4.73 0.00 1.89 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 2.16 2.34 0.00 45 L 8.79 4.20 0.00 1.45 1.31 0.37 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.74 0.00 2.03 2.02 0.00 3.87 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 47 V 8.32 3.88 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 0.83 0.00 0.00 0.97 0.00 0.00 48 H 8.68 4.78 0.00 3.16 3.33 0.00 5.30 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 49 S 8.37 4.78 0.00 3.95 3.88 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 50 H 8.91 4.88 0.00 3.20 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.49 4.98 0.00 2.68 2.78 0.00 0.00 6.79 7.94 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 52 I 7.14 4.60 1.91 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 1.45 0.83 0.93 0.00 0.00 53 E 8.67 4.29 0.00 1.96 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 2.28 2.31 0.00 54 G 7.42 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 0.00 0.00 0.00 55 E 8.86 5.48 0.00 1.83 1.78 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 2.19 2.22 0.00 56 L 9.02 5.42 0.00 1.75 1.67 0.87 0.30 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 57 N 9.08 5.53 0.00 2.83 2.86 0.00 0.00 7.11 7.65 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 58 I 8.52 4.94 1.80 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 1.13 0.62 1.15 0.00 0.00 59 V 8.87 4.79 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 1.04 0.00 0.00 0.98 0.00 0.00 60 V 8.92 4.26 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 0.90 0.00 0.00 0.92 0.00 0.00 61 L 8.94 4.27 0.00 1.69 1.73 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.06 4.56 0.00 1.89 1.82 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 2.29 2.45 0.00 63 G 8.76 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 0.00 0.00 0.00 0.00 64 E 8.56 4.92 0.00 1.84 1.72 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 2.18 2.23 0.00 65 G 8.54 3.88 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 0.00 0.00 0.00 66 E 8.74 5.06 0.00 1.73 1.68 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 2.11 2.16 0.00 67 F 9.03 5.09 0.00 2.94 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 68 V 9.04 4.75 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 1.04 0.00 0.00 0.89 0.00 0.00 69 G 8.32 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 0.00 0.00 0.00 0.00 70 D 8.66 4.39 0.00 2.62 2.57 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 71 G 9.15 3.73 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 0.00 0.00 0.00 72 D 8.56 4.39 0.00 2.87 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 73 A 7.57 4.29 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 74 V 8.42 4.97 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 0.80 0.00 0.00 0.91 0.00 0.00 75 I 8.67 4.57 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 1.06 0.00 0.00 76 P 0.00 4.36 0.00 1.90 1.95 0.00 3.64 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 2.02 2.08 0.00 77 A 8.39 4.46 -0.06 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 0.00 0.00 78 P 0.00 4.66 0.00 2.12 2.18 0.00 3.75 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 2.07 1.96 0.00 79 R 7.64 3.94 0.00 1.78 1.91 0.00 3.41 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 80 G 9.33 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 0.00 0.00 0.00 81 A 8.15 4.50 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 82 V 8.34 4.88 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 0.75 0.00 0.00 0.89 0.00 0.00 83 L 8.32 4.21 0.00 0.27 0.70 0.56 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.01 4.82 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 0.87 0.00 0.00 0.87 0.00 0.00 85 A 8.62 4.65 1.12 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 86 P 0.00 4.76 0.00 2.19 1.97 0.00 3.58 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 2.10 2.09 0.00 87 I 8.52 3.77 2.07 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 1.36 0.68 1.02 0.00 0.00 88 S 7.84 4.57 0.00 3.99 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 89 T 7.31 4.29 4.41 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 1.21 0.00 0.00 90 P 0.00 4.59 0.00 2.04 1.94 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 91 H 9.23 5.15 0.00 3.02 3.27 0.00 5.25 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.25 4.43 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 0.00 93 V 8.53 4.89 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 0.56 0.00 0.00 0.99 0.00 0.00 94 R 8.57 4.58 0.00 1.74 1.57 0.00 3.28 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 95 A 8.33 4.20 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 96 V 8.80 3.73 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 0.76 0.00 0.00 0.85 0.00 0.00 97 T 7.49 4.57 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 1.20 0.00 0.00 98 D 8.19 4.93 0.00 2.73 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 K 8.31 4.64 0.00 1.82 1.74 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 101 V 9.01 5.09 2.33 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 0.82 0.00 0.00 1.30 0.00 0.00 102 L 9.05 5.04 0.00 1.70 1.49 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.40 4.88 2.38 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 0.88 0.00 0.00 1.17 0.00 0.00 104 T 8.74 4.94 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 105 I 8.86 4.92 1.90 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 1.17 0.76 0.98 0.00 0.00 106 A 9.33 4.95 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 0.00 107 P 0.00 4.71 0.00 2.27 2.00 0.00 3.82 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 2.03 2.07 0.00 108 P 0.00 4.51 0.00 2.21 2.24 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 109 I 7.45 4.21 1.88 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 1.29 0.68 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.