NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2960 8.3144 122.0590 56.4541 33.4081 175.4700 4 C 4.6903 9.0021 129.2267 55.0745 44.0683 170.8976 5 S 4.8703 9.9267 123.2078 56.5987 63.8362 173.8098 6 L 4.0089 8.4887 126.2901 57.4819 42.0251 178.1296 7 T 3.9732 7.8737 115.8031 63.3094 69.0695 174.2509 8 G 3.6662 7.5551 113.4062 44.2964 0.0000 171.0484 9 K 4.9201 7.8681 119.2051 54.4902 34.6190 175.7965 10 W 5.5685 9.4431 123.5282 55.4075 33.8970 174.0299 11 T 5.2654 9.2812 115.0769 60.9812 70.9293 172.5654 12 N 5.7812 8.7620 124.4710 50.1270 40.1940 174.5306 13 D 4.4314 8.6771 116.8249 55.9119 39.6863 176.8900 14 L 4.2564 8.2895 118.9302 55.0118 42.1024 177.4968 15 G 4.0304 8.0040 106.9687 44.7907 0.0000 174.0434 16 S 4.5897 8.0522 115.7735 58.4729 64.4792 172.8645 17 N 5.5649 8.9773 119.5201 51.9426 42.4464 173.2715 18 M 5.0333 8.9922 119.9848 54.4142 36.3935 173.6614 19 T 5.1190 8.8715 121.5228 61.8025 72.2561 172.9222 20 I 4.6642 8.6963 126.5341 59.6490 40.6453 176.0661 21 G 4.2182 8.5583 114.2609 45.1542 0.0000 173.1644 22 A 4.2281 8.5182 122.0489 51.8403 18.9857 177.5701 23 V 4.4269 8.1054 114.9180 59.7082 33.0078 176.3456 24 N 4.7755 8.6801 123.3636 51.4559 38.6445 175.9020 25 S 4.2230 8.6250 112.2206 61.4026 62.6573 175.4129 26 R 4.1777 8.5326 117.9827 56.0867 30.2718 177.3314 27 G 4.0404 8.7634 108.1715 45.0470 0.0000 173.2889 28 E 4.7107 7.9958 119.6915 56.2214 31.0959 175.6301 29 F 5.2821 8.3427 116.7311 56.1667 41.9775 172.9303 30 T 4.9648 8.3275 115.2822 62.0764 73.4939 172.8884 31 G 4.2383 7.5633 106.7088 46.8406 0.0000 172.1592 32 T 5.2020 8.2530 115.6048 61.7620 72.7498 172.8388 33 Y 4.8442 9.3973 126.2490 56.2163 41.5372 174.1495 34 T 5.3165 9.0064 124.0461 62.2282 71.2442 173.5609 35 T 5.0442 8.7723 119.5376 60.5251 71.3908 172.5856 36 A 5.0312 8.5394 128.0082 50.9440 20.5745 177.2999 37 V 3.7123 8.4920 119.0597 64.7156 32.1313 175.9283 38 T 3.9882 7.5640 118.6107 62.6031 70.2014 172.9355 *42 N 4.5448 8.2167 117.3433 52.7421 40.3151 172.8057 43 E 4.4846 7.5590 116.1043 56.9563 31.5054 174.4254 44 I 5.0331 7.5170 120.6894 59.3551 40.3787 174.6553 45 K 4.7546 8.8705 124.3381 54.7094 36.0614 174.9464 46 E 5.2185 9.0181 122.9832 54.9597 32.0397 175.6200 47 S 4.9157 8.9799 118.8827 56.1222 67.7050 172.0562 48 P 5.0196 0.0000 0.0000 62.6593 33.0567 174.9516 49 L 5.2201 8.6164 120.4612 54.4956 44.2838 174.9503 50 H 5.1047 8.8048 116.6105 54.5422 33.2768 172.9995 51 G 4.2401 7.9050 108.4425 45.9047 0.0000 171.5657 52 T 5.0917 8.4078 108.4402 60.0125 72.3977 172.5311 53 E 5.1516 9.2901 124.9083 54.6441 31.6811 174.7686 54 N 4.7430 9.1180 126.0488 53.3825 39.8105 174.7807 55 T 4.5068 8.4580 114.2338 61.1992 69.5534 173.7035 56 I 3.9153 8.4468 124.6476 63.0739 37.1304 175.7894 57 N 4.2920 8.9009 121.3217 52.8849 36.0161 174.5783 58 K 3.8842 7.9171 116.2617 57.1545 30.2435 175.4430 59 R 4.1215 7.7343 116.7539 56.7091 31.0776 177.8076 60 T 4.2299 8.4441 110.0174 63.4470 69.7759 173.8453 61 Q 5.3361 7.8318 120.2719 52.3138 28.4001 173.1839 62 P 4.6641 0.0000 0.0000 62.6370 33.6705 176.8710 63 T 4.8161 8.3358 111.1856 61.3671 71.4142 172.9752 64 F 5.3553 8.1830 116.5490 56.7390 42.0268 172.7796 65 G 4.6808 9.3345 104.8797 45.4626 0.0000 172.2104 66 F 5.5566 9.1190 116.5992 55.8360 42.2323 172.9293 67 T 5.0637 9.0932 116.6444 61.8448 71.5573 173.3465 68 V 4.2235 8.8975 126.2416 61.2799 33.3562 174.3773 69 N 4.6658 8.0515 128.0317 51.2007 37.6361 172.9604 70 W 4.2770 7.3337 120.5813 56.8967 29.5600 176.0652 71 K 4.3789 8.7563 123.2697 56.5949 31.9832 177.0601 72 F 4.9938 7.0804 112.5715 56.0565 38.4241 174.1399 73 S 4.5313 7.3415 114.2055 58.2266 65.1921 173.7657 74 E 4.3481 8.5125 118.0461 56.7196 30.0387 176.9261 75 S 4.8361 7.5349 115.6496 58.5168 64.8926 173.2191 76 T 5.0635 8.8149 116.8879 62.3634 72.9404 173.3761 77 T 5.2059 8.4375 120.4022 61.8959 72.6907 173.2988 78 V 4.9076 8.6251 118.3004 59.5667 35.1652 174.6450 79 F 5.3084 9.0382 123.0742 55.9780 42.3521 174.2768 80 T 4.7045 8.5640 115.9783 60.7409 71.3887 173.6037 81 G 4.3807 6.7327 110.7032 46.6230 0.0000 171.4047 82 Q 4.8151 7.7454 119.5370 54.2790 32.8276 176.0627 83 C 4.7476 8.8465 126.2802 56.0550 45.0178 172.6228 84 F 5.1819 9.3044 125.9616 56.1375 41.8800 175.2321 85 I 5.0256 8.5788 120.4150 59.7184 39.6395 175.9888 86 D 4.7199 8.9767 128.5470 52.4861 40.7924 177.2277 87 R 4.0477 8.4361 116.8976 59.0328 30.0684 177.6308 88 N 4.4897 8.2918 113.5691 53.8551 39.0267 175.9669 89 G 4.0166 8.1385 105.9956 44.8970 0.0000 173.7817 90 K 4.3413 8.6441 120.0599 55.7448 33.0358 175.7555 91 E 5.1434 8.6016 121.9218 55.9203 30.8399 176.3472 92 V 4.9944 9.1743 122.7354 60.2599 35.5034 173.9601 93 L 5.1670 9.2067 124.2824 53.2780 43.8679 175.5874 94 K 5.0175 8.8386 125.0911 55.3639 33.6273 176.1180 95 T 5.3378 9.2264 114.9489 60.2255 73.0114 172.6999 96 M 5.2961 9.0034 120.8525 53.3635 36.5774 174.6360 97 W 5.4641 8.2504 117.9282 54.7248 32.6165 173.6501 98 L 5.2612 8.7697 120.2665 52.9208 44.5945 175.2598 99 L 5.0613 9.4166 126.4737 53.4856 44.2994 174.8386 100 R 4.8838 9.2360 128.4936 55.2530 31.3634 175.7660 101 S 4.8961 8.9276 123.2983 57.5997 64.7756 173.5163 102 S 4.6159 8.4313 116.6637 57.3421 63.0567 173.7859 103 V 4.4866 8.2646 119.5578 59.6987 34.1983 175.5245 104 N 4.6159 8.5450 118.3875 54.3952 39.2276 175.0790 105 D 4.8156 7.6047 117.3872 51.2159 44.5926 175.7948 106 I 3.7894 8.5432 125.1508 63.9004 37.6796 178.1208 107 G 3.8246 9.5671 106.6278 46.8236 0.0000 174.3492 108 D 4.8091 8.1300 120.1451 54.1913 41.1646 177.4035 109 D 4.3307 7.8589 120.9100 57.1709 40.8978 178.1945 110 W 4.3629 8.4241 115.3519 58.7049 27.9754 176.5968 111 K 3.9452 6.4758 115.0504 56.1870 31.9625 176.5211 112 A 4.2443 7.7036 121.6782 53.0911 19.0587 177.2490 113 T 5.1068 7.5963 112.7060 61.7381 71.1011 173.8322 114 R 4.8778 9.0079 125.7165 54.5559 33.1358 175.6788 115 V 4.4285 7.7468 119.5964 60.3585 34.8610 174.8715 116 G 3.2023 6.0124 107.0427 45.6397 0.0000 171.6174 117 I 5.2129 8.0060 112.3292 59.4701 41.2788 174.6506 118 N 5.2016 9.0842 117.9975 52.4498 43.8915 173.7676 119 I 5.1205 9.0076 124.3114 59.6418 40.1004 174.5007 120 F 5.5818 9.5788 126.2191 56.0029 41.8278 174.8732 121 T 5.4087 9.2448 112.2355 59.5926 72.5082 173.3852 122 R 3.8548 8.6259 121.6038 56.2747 30.8146 176.5722 123 L 4.2456 8.0908 124.4848 55.1687 41.7093 176.0267 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 8.31 4.30 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.53 7.81 4 C 9.00 4.69 0.00 3.10 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 5 S 9.93 4.87 0.00 3.89 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 6 L 8.49 4.01 0.00 1.17 0.94 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 3.97 4.19 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 0.00 0.00 1.16 0.00 0.00 8 G 7.56 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 0.00 0.00 0.00 9 K 7.87 4.92 0.00 1.51 1.59 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 10 W 9.44 5.57 0.00 3.12 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 11 T 9.28 5.27 4.36 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 1.34 0.00 0.00 12 N 8.76 5.78 0.00 2.38 1.42 0.00 0.00 6.64 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 13 D 8.68 4.43 0.00 2.82 2.85 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 14 L 8.29 4.26 0.00 1.85 1.80 1.00 1.27 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 15 G 8.00 4.03 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 0.00 0.00 0.00 16 S 8.05 4.59 0.00 3.92 3.92 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 17 N 8.98 5.56 0.00 2.55 2.65 0.00 0.00 6.54 8.26 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 18 M 8.99 5.03 0.00 1.83 1.35 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 19 T 8.87 5.12 4.20 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 1.16 0.00 0.00 20 I 8.70 4.66 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 0.00 0.78 0.52 0.43 0.00 0.00 21 G 8.56 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 0.00 0.00 0.00 0.00 22 A 8.52 4.23 1.25 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 0.00 0.00 0.00 23 V 8.11 4.43 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 0.72 0.00 0.00 0.93 0.00 0.00 24 N 8.68 4.78 0.00 2.98 3.00 0.00 0.00 6.28 6.94 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 25 S 8.63 4.22 0.00 4.00 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 0.00 26 R 8.53 4.18 0.00 1.94 2.01 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 27 G 8.76 4.04 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 0.00 0.00 0.00 28 E 8.00 4.71 0.00 1.92 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 2.34 2.29 0.00 29 F 8.34 5.28 0.00 2.99 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 30 T 8.33 4.96 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 1.12 0.00 0.00 31 G 7.56 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 0.00 0.00 0.00 0.00 32 T 8.25 5.20 4.23 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 1.28 0.00 0.00 33 Y 9.40 4.84 0.00 2.87 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 34 T 9.01 5.32 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 1.25 0.00 0.00 35 T 8.77 5.04 4.62 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 1.44 0.00 0.00 36 A 8.54 5.03 1.23 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 0.00 0.00 37 V 8.49 3.71 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 0.67 0.00 0.00 0.73 0.00 0.00 38 T 7.56 3.99 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 1.18 0.00 0.00 *42 N 8.22 4.54 0.00 2.72 2.84 0.00 0.00 6.74 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 43 E 7.56 4.48 0.00 2.09 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 2.26 2.35 0.00 44 I 7.52 5.03 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.94 0.00 0.00 45 K 8.87 4.75 0.00 1.55 1.77 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.69 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.24 1.16 7.81 46 E 9.02 5.22 0.00 1.91 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 2.37 0.00 47 S 8.98 4.92 0.00 3.81 3.74 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 48 P 0.00 5.02 0.00 2.05 2.15 0.00 3.78 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 2.03 1.96 0.00 49 L 8.62 5.22 0.00 1.87 1.66 0.85 0.74 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 50 H 8.80 5.10 0.00 3.02 3.07 0.00 5.66 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 51 G 7.90 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 0.00 0.00 0.00 0.00 52 T 8.41 5.09 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 1.10 0.00 0.00 53 E 9.29 5.15 0.00 2.14 2.03 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 2.33 2.34 0.00 54 N 9.12 4.74 0.00 2.81 2.74 0.00 0.00 7.02 8.26 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 55 T 8.46 4.51 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 1.25 0.00 0.00 56 I 8.45 3.92 1.96 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 1.47 0.82 0.92 0.00 0.00 57 N 8.90 4.29 0.00 2.91 2.99 0.00 0.00 7.42 7.61 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 58 K 7.92 3.88 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.55 7.81 59 R 7.73 4.12 0.00 1.81 1.89 0.00 3.58 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 60 T 8.44 4.23 4.28 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 1.24 0.00 0.00 61 Q 7.83 5.34 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.08 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 62 P 0.00 4.66 0.00 2.24 2.20 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 63 T 8.34 4.82 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 1.15 0.00 0.00 64 F 8.18 5.36 0.00 3.55 3.29 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 65 G 9.33 4.68 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 0.00 66 F 9.12 5.56 0.00 3.15 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 67 T 9.09 5.06 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 68 V 8.90 4.22 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 -0.83 0.00 0.00 0.76 0.00 0.00 69 N 8.05 4.67 0.00 2.71 2.63 0.00 0.00 7.28 7.41 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 70 W 7.33 4.28 0.00 3.09 2.26 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 71 K 8.76 4.38 0.00 1.91 1.99 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 72 F 7.08 4.99 0.00 3.11 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 73 S 7.34 4.53 0.00 3.89 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 0.00 74 E 8.51 4.35 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 2.27 2.32 0.00 75 S 7.53 4.84 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 76 T 8.81 5.06 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 1.21 0.00 0.00 77 T 8.44 5.21 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 0.93 0.00 0.00 78 V 8.63 4.91 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 0.81 0.00 0.00 0.91 0.00 0.00 79 F 9.04 5.31 0.00 1.51 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 80 T 8.56 4.70 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 1.11 0.00 0.00 81 G 6.73 4.38 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 0.00 0.00 0.00 82 Q 7.75 4.82 0.00 1.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 1.34 2.16 0.00 83 C 8.85 4.75 0.00 3.10 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 84 F 9.30 5.18 0.00 3.18 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 85 I 8.58 5.03 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.98 0.00 0.00 86 D 8.98 4.72 0.00 2.88 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 87 R 8.44 4.05 0.00 1.83 2.05 0.00 3.19 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 1.63 1.65 0.00 88 N 8.29 4.49 0.00 2.85 2.88 0.00 0.00 7.19 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 89 G 8.14 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 0.00 0.00 0.00 90 K 8.64 4.34 0.00 2.11 1.79 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 91 E 8.60 5.14 0.00 2.02 2.28 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 2.42 2.39 0.00 92 V 9.17 4.99 2.27 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 1.13 0.00 0.00 1.15 0.00 0.00 93 L 9.21 5.17 0.00 1.75 1.76 -0.56 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.84 5.02 0.00 1.97 1.94 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.81 1.77 7.81 95 T 9.23 5.34 4.68 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 1.61 0.00 0.00 96 M 9.00 5.30 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 97 W 8.25 5.46 0.00 2.70 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 0.00 0.00 0.00 98 L 8.77 5.26 0.00 1.61 1.60 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.42 5.06 0.00 1.74 1.82 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.24 4.88 0.00 1.94 1.94 0.00 3.32 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 101 S 8.93 4.90 0.00 3.70 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 0.00 102 S 8.43 4.62 0.00 3.87 3.74 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 0.00 103 V 8.26 4.49 2.03 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 0.70 0.00 0.00 0.97 0.00 0.00 104 N 8.54 4.62 0.00 2.71 2.86 0.00 0.00 6.64 8.06 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 0.00 105 D 7.60 4.82 0.00 2.62 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 0.00 106 I 8.54 3.79 1.89 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 1.61 1.21 0.94 0.00 0.00 107 G 9.57 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 0.00 0.00 0.00 108 D 8.13 4.81 0.00 2.74 2.55 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 0.00 109 D 7.86 4.33 0.00 2.90 2.79 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 0.00 0.00 0.00 110 W 8.42 4.36 0.00 3.61 3.24 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 0.00 111 K 6.48 3.95 0.00 1.11 0.74 0.00 1.08 0.00 0.00 0.66 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.75 7.81 112 A 7.70 4.24 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 0.00 113 T 7.60 5.11 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 1.22 0.00 0.00 114 R 9.01 4.88 0.00 1.98 2.02 0.00 3.12 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 115 V 7.75 4.43 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 0.55 0.00 0.00 0.67 0.00 0.00 116 G 6.01 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 0.00 117 I 8.01 5.21 2.00 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 1.33 0.85 0.81 0.00 0.00 118 N 9.08 5.20 0.00 3.35 2.78 0.00 0.00 7.23 7.56 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 0.00 119 I 9.01 5.12 1.92 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 1.34 1.34 1.04 0.00 0.00 120 F 9.58 5.58 0.00 2.89 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 0.00 121 T 9.24 5.41 4.36 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 1.36 0.00 0.00 122 R 8.63 3.85 0.00 1.51 1.60 0.00 2.63 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.13 0.00 123 L 8.09 4.25 0.00 1.62 1.43 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.