NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6506 8.0027 121.9600 57.5524 40.5895 173.1507 3 V 4.4801 8.2955 127.2592 60.8061 34.6620 172.5546 4 T 5.0455 9.5427 126.4535 61.9100 71.5269 172.8702 5 I 4.4716 8.8378 128.7098 60.1081 38.8413 174.9398 6 V 4.8109 8.5509 128.3644 61.3918 33.7255 173.8096 7 Y 5.0775 9.4043 126.3664 56.4406 40.0241 174.4503 8 A 5.0588 9.0888 126.7981 50.3052 21.6372 175.0647 9 S 4.9987 8.8249 119.4760 57.4979 63.9643 173.9921 10 V 4.4366 8.4921 125.8180 60.7211 33.2205 175.7743 11 K 3.9539 8.7733 126.2085 57.2290 32.5607 178.1806 12 T 3.8311 8.8076 120.5675 66.5862 68.5324 174.7232 13 D 4.7415 7.9720 117.7573 53.0821 39.7046 176.5788 14 K 4.1439 7.9324 117.4715 56.2724 33.3179 177.6277 15 T 4.0340 8.0510 115.2507 65.6913 67.1586 175.6595 16 E 4.0362 8.1342 119.5227 59.1886 29.6376 178.8497 17 A 3.7972 7.6885 120.4168 54.8933 18.2114 179.2851 18 F 4.3234 8.3858 119.3681 61.5184 39.6378 177.4389 19 K 3.8358 7.8557 118.1632 59.3632 31.6320 178.8821 20 E 3.9130 7.9308 117.9820 59.4289 29.7152 178.5235 21 A 4.2411 7.9443 119.2768 55.4713 18.6707 179.4028 22 T 4.1211 8.1336 114.4286 66.0949 68.4198 176.7412 23 R 3.7817 7.6133 119.3906 57.4683 30.7880 177.2366 *25 N 4.5076 8.0707 116.6694 53.4778 40.8610 175.6836 26 H 4.0088 8.5418 117.5438 59.4955 29.6755 176.8403 27 E 3.8834 8.0236 118.7627 59.6725 29.5927 179.2315 28 Q 3.9769 7.6992 117.2982 58.8446 28.9148 178.5564 29 S 4.5456 7.5203 117.4537 60.9610 62.4418 176.6122 30 I 4.0821 7.1400 122.5269 62.8880 36.8633 177.5953 31 R 4.2393 7.3895 117.2854 55.7036 31.0216 176.6238 32 E 4.1675 7.5145 120.1868 55.7558 30.0434 176.5057 33 P 4.3169 0.0000 0.0000 64.9661 31.7830 177.4857 34 G 4.4907 8.0455 104.7633 44.7688 0.0000 172.7831 35 N 4.6573 7.9924 120.1307 52.7869 40.8009 173.8019 *37 R 4.0651 8.2631 117.0687 55.7520 31.1074 174.6644 38 F 4.8387 8.1476 121.1433 56.9148 38.6811 173.0096 39 D 4.7606 8.8871 121.7014 53.7454 42.7199 176.4957 40 I 4.8628 8.4075 124.2195 59.7841 38.7465 175.0224 41 L 5.0182 9.1351 126.9272 52.9190 45.6897 175.4504 42 Q 4.7984 8.4977 121.5874 54.0094 32.4950 174.8964 43 S 4.1602 8.5355 121.7254 58.8459 63.3016 175.5956 44 A 3.9484 8.8967 127.3177 54.7047 18.2963 177.7446 45 D 4.7813 7.8626 111.9991 54.1084 42.0614 175.8223 46 D 4.4970 7.6586 120.0484 52.2038 43.7077 174.0523 47 P 4.1206 0.0000 0.0000 65.7520 31.7468 177.3420 48 T 4.2251 8.2794 108.2091 62.7744 70.1468 174.3415 49 R 4.9870 7.4732 123.1456 54.5971 32.4686 175.2004 50 F 5.4289 9.2417 122.3319 55.6237 43.2326 174.4633 51 V 4.9119 8.9200 119.9950 61.2513 34.9324 174.1136 52 L 4.7637 8.8650 128.0027 53.4849 43.6788 175.1222 53 Y 4.4193 8.8989 127.6528 56.2769 39.3299 173.6549 54 E 4.5728 8.4346 126.6154 54.4158 31.0884 174.7069 55 A 5.1016 8.6051 126.9966 50.1810 21.2272 174.7950 56 Y 4.9082 9.1884 119.0444 56.1415 42.0045 175.9449 57 K 4.3811 9.3211 121.4495 59.2629 32.9611 177.4191 58 T 4.7293 7.8932 107.8104 58.5721 72.4894 174.3651 59 R 2.5100 8.3916 120.6963 59.1690 29.6935 177.9599 60 K 3.6611 7.8814 117.4953 59.8336 32.0599 178.6296 61 D 4.1200 7.5462 116.9103 57.1706 40.5372 178.4834 62 A 2.8192 6.9511 119.1202 54.9017 18.4639 179.0935 63 A 3.8840 8.1622 119.0729 55.3591 18.3519 179.7949 64 A 3.8500 7.6391 119.0217 55.1274 18.4817 179.1206 65 H 4.0389 7.7635 117.0161 59.4632 29.6617 176.8524 66 K 3.0885 7.2636 116.6512 56.9631 31.9335 177.2280 67 E 4.4720 7.7793 118.6123 56.5907 30.9414 177.1329 68 T 4.1458 7.5247 110.1083 60.9368 70.9144 175.1753 69 A 4.0238 8.5699 124.9107 55.8247 18.3679 179.9529 70 H 4.1824 8.0893 113.1006 58.8413 28.7166 176.9664 71 Y 4.0891 7.4581 122.2710 60.5732 38.6665 178.2570 72 L 3.8472 7.8848 119.4335 57.8991 41.6525 179.7023 73 T 3.7962 8.1455 115.9142 66.2254 68.3600 176.3941 74 W 4.0221 8.2967 130.3669 60.4780 30.6105 177.7805 75 R 3.2769 8.1767 118.8044 59.5358 29.2336 178.2294 76 D 4.1627 7.6017 117.0744 57.4692 40.7995 178.6869 77 T 3.5946 7.3656 115.5327 66.1898 68.8008 176.6513 78 V 2.7740 6.9659 112.2694 61.1682 31.5608 177.8772 79 A 3.7481 6.7404 122.0897 55.4688 18.0605 178.6356 80 D 4.5232 7.5470 111.3801 55.4813 41.7215 177.3616 81 W 4.7306 8.0426 122.9591 55.2201 27.5386 176.5983 *83 A 4.2405 7.6501 121.7483 51.8880 20.4366 176.3555 84 E 4.6903 7.7303 110.7343 54.5526 32.0564 173.0968 85 P 4.2945 0.0000 0.0000 62.8603 31.7463 176.7978 86 R 4.3171 8.6393 121.2902 57.0331 31.0298 175.6050 87 K 4.6201 9.1846 123.5657 54.9450 34.2391 175.2328 88 G 4.6280 8.8166 113.6903 44.4681 0.0000 172.4922 89 V 4.5407 8.7717 122.4642 60.9866 34.7275 174.1318 90 I 4.6564 8.2422 128.4539 60.2816 38.6134 174.5989 91 Y 4.6718 9.4686 124.0961 56.1217 42.3260 174.4257 92 G 4.3116 8.6160 107.9369 44.3231 0.0000 173.7399 93 G 3.8594 8.5654 112.8309 45.1412 0.0000 173.6631 94 L 3.8599 8.3917 125.0207 56.9992 42.2240 176.5554 95 Y 4.4819 7.2622 119.0621 58.3170 38.9679 174.7169 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 Y 8.00 4.65 0.00 3.15 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 3 V 8.30 4.48 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 0.37 0.00 0.00 0.80 0.00 0.00 4 T 9.54 5.05 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 1.24 0.00 0.00 5 I 8.84 4.47 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.96 0.41 0.00 0.00 6 V 8.55 4.81 2.18 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 1.25 0.00 0.00 0.98 0.00 0.00 7 Y 9.40 5.08 0.00 2.96 2.95 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 8 A 9.09 5.06 1.34 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 0.00 0.00 9 S 8.82 5.00 0.00 3.79 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 10 V 8.49 4.44 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 0.85 0.00 0.00 0.14 0.00 0.00 11 K 8.77 3.95 0.00 1.77 1.87 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.60 7.81 12 T 8.81 3.83 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 1.21 0.00 0.00 13 D 7.97 4.74 0.00 2.72 2.72 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 14 K 7.93 4.14 0.00 1.67 1.32 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.15 1.27 7.81 15 T 8.05 4.03 4.50 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 1.30 0.00 0.00 16 E 8.13 4.04 0.00 1.97 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 2.40 2.32 0.00 17 A 7.69 3.80 0.22 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 18 F 8.39 4.32 0.00 3.25 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 19 K 7.86 3.84 0.00 1.98 1.92 0.00 2.02 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.92 7.81 20 E 7.93 3.91 0.00 2.11 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 2.37 2.36 0.00 21 A 7.94 4.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.12 3.99 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 1.05 0.00 0.00 23 R 7.61 3.78 0.00 1.92 2.13 0.00 3.14 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 *25 N 8.07 4.51 0.00 2.60 2.65 0.00 0.00 6.72 7.89 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 26 H 8.54 4.01 0.00 3.29 3.48 0.00 5.65 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 27 E 8.02 3.88 0.00 1.93 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 2.42 2.63 0.00 28 Q 7.70 3.98 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 29 S 7.52 4.55 0.00 2.72 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 30 I 7.14 4.08 1.69 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.85 0.00 0.00 31 R 7.39 4.24 0.00 1.93 1.93 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 1.58 1.74 0.00 32 E 7.51 4.17 0.00 2.29 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 0.00 2.39 2.37 0.00 33 P 0.00 4.32 0.00 2.06 2.12 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 34 G 8.05 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 0.00 0.00 0.00 0.00 35 N 7.99 4.66 0.00 2.82 2.76 0.00 0.00 6.88 7.72 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 *37 R 8.26 4.07 0.00 2.02 2.14 0.00 3.16 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.98 0.00 38 F 8.15 4.84 0.00 2.85 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 39 D 8.89 4.76 0.00 2.72 2.58 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 40 I 8.41 4.86 1.90 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 1.46 0.89 1.02 0.00 0.00 41 L 9.14 5.02 0.00 1.57 1.52 0.83 0.90 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 42 Q 8.50 4.80 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.02 1.64 0.00 43 S 8.54 4.16 0.00 4.04 3.77 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 44 A 8.90 3.95 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 45 D 7.86 4.78 0.00 2.63 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 46 D 7.66 4.50 0.00 2.71 2.39 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 47 P 0.00 4.12 0.00 2.19 2.15 0.00 3.50 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 1.97 2.04 0.00 48 T 8.28 4.23 4.52 0.00 0.00 0.00 0.00 0.00 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 49 R 7.47 4.99 0.00 1.67 1.89 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 50 F 9.24 5.43 0.00 3.09 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 51 V 8.92 4.91 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 0.93 0.00 0.00 0.86 0.00 0.00 52 L 8.86 4.76 0.00 1.54 1.23 1.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.90 4.42 0.00 2.90 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 54 E 8.43 4.57 0.00 1.95 1.88 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 1.47 1.90 0.00 55 A 8.61 5.10 0.93 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 56 Y 9.19 4.91 0.00 2.92 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 57 K 9.32 4.38 0.00 1.90 1.91 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.59 7.81 58 T 7.89 4.73 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 1.20 0.00 0.00 59 R 8.39 2.51 0.00 1.42 1.67 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.00 60 K 7.88 3.66 0.00 1.72 1.78 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 61 D 7.55 4.12 0.00 2.84 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 62 A 6.95 2.82 1.14 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 63 A 8.16 3.88 1.22 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 64 A 7.64 3.85 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 65 H 7.76 4.04 0.00 3.28 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.26 3.09 0.00 1.58 1.43 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.38 1.09 7.81 67 E 7.78 4.47 0.00 2.04 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 2.33 2.30 0.00 68 T 7.52 4.15 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 1.26 0.00 0.00 69 A 8.57 4.02 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 70 H 8.09 4.18 0.00 3.35 3.56 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.46 4.09 0.00 2.82 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 L 7.88 3.85 0.00 1.92 1.68 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.15 3.80 4.40 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 1.21 0.00 0.00 74 W 8.30 4.02 0.00 3.40 3.35 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 75 R 8.18 3.28 0.00 1.33 1.67 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 76 D 7.60 4.16 0.00 2.73 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 77 T 7.37 3.59 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 78 V 6.97 2.77 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 0.16 0.00 0.00 -0.24 0.00 0.00 79 A 6.74 3.75 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 80 D 7.55 4.52 0.00 2.62 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 81 W 8.04 4.73 0.00 3.46 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 *83 A 7.65 4.24 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 84 E 7.73 4.69 0.00 2.06 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 0.00 2.19 2.33 0.00 85 P 0.00 4.29 0.00 2.10 2.09 0.00 3.72 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 2.05 2.14 0.00 86 R 8.64 4.32 0.00 1.86 2.09 0.00 3.60 0.00 0.00 3.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 87 K 9.18 4.62 0.00 1.92 1.86 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.41 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.54 1.46 7.81 88 G 8.82 4.63 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 0.00 0.00 0.00 89 V 8.77 4.54 2.43 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 0.74 0.00 0.00 1.12 0.00 0.00 90 I 8.24 4.66 1.72 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 1.27 0.67 0.54 0.00 0.00 91 Y 9.47 4.67 0.00 2.63 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 92 G 8.62 4.31 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 0.00 93 G 8.57 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 0.00 0.00 0.00 94 L 8.39 3.86 0.00 0.88 0.52 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.26 4.48 0.00 2.96 2.78 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 * Residues marked with a * may have inaccurate shift predictions.