NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2988 8.1727 122.0516 56.3026 33.7273 173.7680 2 K 4.9304 8.6620 129.1201 53.9409 34.6931 173.3492 3 A 4.9172 9.2462 129.4143 50.0343 22.3055 174.3785 4 V 4.7625 8.9277 122.5374 61.0045 34.2448 174.7692 5 I 4.1167 8.7526 128.8383 59.7095 39.4731 175.0036 6 N 4.9643 8.7129 126.1241 51.2666 37.4333 175.5900 7 G 4.1024 9.3983 114.3454 48.4254 0.0000 173.4007 8 E 4.0447 8.1204 116.0935 58.4799 29.9446 177.4294 9 Q 4.1620 8.2220 117.4984 56.3139 29.0842 175.7293 10 I 4.1170 7.3302 120.4105 60.5966 36.7267 175.7834 11 R 4.4439 9.4064 125.3461 56.1484 31.1302 176.6074 12 S 4.6914 7.3659 112.1769 56.4168 66.6273 175.4991 13 I 3.7386 8.1524 121.2287 64.2923 37.5722 177.7292 14 S 4.1914 8.1201 115.6442 61.6273 62.5853 176.1595 15 D 4.3394 7.8182 121.4708 57.2336 40.5829 178.4584 16 L 3.8368 7.7309 120.1942 58.7521 42.0545 178.7699 17 H 4.3504 8.3750 115.9558 59.0036 28.7142 177.9566 18 Q 4.0251 8.5015 120.2261 59.2723 28.5980 178.7517 19 T 3.8363 8.1840 117.0857 66.5352 68.4228 176.6670 20 L 3.8823 7.8466 120.8673 57.5561 41.6539 179.2900 21 K 3.5114 8.1277 119.7297 59.3530 32.0609 178.6622 22 K 3.8619 7.8098 119.0765 59.7019 32.0479 178.6183 23 E 3.9091 8.4012 117.8132 58.9498 29.4764 178.0771 24 L 4.2911 8.2542 115.7516 53.5042 42.4710 175.9056 25 A 3.7222 7.5940 120.9145 53.0885 16.4155 177.6086 26 L 3.8212 7.6173 120.0150 53.6595 42.8073 176.3029 27 P 3.7514 0.0000 0.0000 62.4973 31.2260 177.4188 28 E 3.8204 8.3023 119.4988 59.3844 29.4870 177.6138 29 Y 4.3225 7.2000 114.2436 56.9854 38.4013 174.4197 30 Y 4.0391 7.6485 122.8121 57.9429 38.7069 177.3600 31 G 3.3101 8.4624 116.1827 46.3081 0.0000 172.4266 32 E 3.0583 5.9000 119.2288 56.3822 27.6894 173.7872 33 N 4.9534 6.9387 113.6748 50.4586 42.1859 174.1716 34 L 4.1684 8.4412 120.0679 57.9363 41.6465 179.5426 35 D 4.4361 8.2276 118.4373 57.2818 40.8860 178.4362 36 A 4.1025 8.6427 121.6316 54.9452 18.2539 179.4875 37 L 4.0869 8.1810 118.9817 58.0436 42.2248 178.8339 38 W 4.1979 8.5744 128.6161 60.6133 30.6233 177.2980 39 D 4.2886 8.3844 117.6189 57.4473 40.6041 178.1985 40 A 4.1178 8.1405 121.2112 55.1653 18.1481 179.6509 41 L 3.9239 7.9936 117.2318 57.4901 41.7557 178.9503 42 T 4.3596 7.3863 107.5484 62.0689 69.3981 175.9095 43 G 4.2817 8.1627 111.5820 43.9835 0.0000 173.1078 44 W 4.9525 8.2176 128.7935 58.1141 38.0991 174.7859 45 V 3.6286 7.9562 117.9566 62.9440 31.4377 174.8752 46 E 4.1249 8.1735 126.2357 55.4118 30.4342 175.0038 47 Y 4.9299 7.9280 122.2532 54.9665 41.3848 173.5182 48 P 4.8613 0.0000 0.0000 63.0700 32.5013 175.3081 49 L 5.0643 9.4464 123.1353 53.3326 45.6500 175.1842 50 V 4.7592 9.0952 125.5712 61.1455 34.1781 173.9686 51 L 4.7108 8.9659 131.7513 53.7304 43.4934 174.9001 52 E 4.7882 9.2949 130.0030 54.5935 31.2799 174.6870 53 W 5.0291 9.1194 135.0000 56.0210 31.8475 174.9838 54 R 4.6699 9.1734 126.8481 55.2024 31.8332 176.5408 55 Q 3.4482 8.6609 118.1476 56.3658 26.8179 175.3320 56 F 3.8566 7.9258 121.4696 61.8309 39.6686 175.7189 57 E 3.9648 8.3713 117.2490 59.6401 29.2885 179.3478 58 Q 4.0277 8.0003 118.0431 58.8754 28.8402 178.8771 59 S 4.1616 7.9386 114.9338 61.1208 62.8715 176.3011 60 K 3.7462 7.5321 124.9741 59.8407 31.9717 178.9823 61 Q 4.1492 7.5219 119.1997 60.5746 28.1559 180.5728 62 L 4.3506 7.7052 119.3143 54.9221 42.2560 178.6497 63 T 4.4410 8.2950 105.2231 62.2643 68.6559 176.7743 *66 G 4.0683 9.5088 108.6923 44.9431 0.0000 174.1042 67 A 4.2847 7.7107 120.4067 54.7130 18.9312 179.6603 68 E 4.1360 8.1998 117.1753 59.5600 29.7334 178.9419 69 S 4.2235 8.1848 114.8138 61.6368 62.8491 176.7947 70 V 3.8254 8.0514 120.7768 66.0085 31.4208 177.7062 71 L 4.3836 8.4282 120.1999 58.4848 41.8764 178.6381 72 Q 4.0621 8.4018 119.4122 59.3010 28.9509 178.5941 73 V 3.7743 7.8715 119.3239 66.0873 31.5924 178.0051 74 F 4.1584 8.3546 117.3314 60.7702 38.7966 177.9281 75 R 4.1037 8.4726 117.7070 59.3336 29.8740 179.0102 76 E 4.2178 8.5619 118.3601 59.2492 29.5735 179.2281 77 A 4.1300 8.4567 121.1460 54.8865 18.3291 179.6929 78 K 4.1045 8.5598 119.3389 59.0764 32.1426 178.6134 79 A 4.0439 8.2556 120.2171 55.5563 18.3419 178.9732 80 E 4.2614 8.0572 112.5638 57.1899 29.4538 177.8490 81 G 3.9667 8.7396 108.7549 44.9557 0.0000 174.4920 82 A 3.5488 7.6820 122.1055 51.9136 19.6424 176.9284 83 D 4.7718 8.0038 122.0514 52.9963 40.3250 172.8919 84 I 5.1620 7.7772 120.7316 59.2977 40.2100 174.5827 85 T 4.5356 9.1756 124.8328 62.1965 70.3021 173.7621 86 I 4.8435 8.4306 127.1542 59.6007 39.4904 174.9089 87 I 4.3986 8.8303 128.5537 59.4995 39.6826 174.7347 88 L 5.0370 8.6708 128.0159 53.1216 42.4784 176.7333 89 S 4.4315 8.7046 118.7736 58.2446 63.2039 174.1283 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 K 8.17 4.30 0.00 1.86 1.96 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 2 K 8.66 4.93 0.00 1.82 1.63 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.56 7.81 3 A 9.25 4.92 1.16 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 0.00 0.00 4 V 8.93 4.76 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 0.80 0.00 0.00 0.91 0.00 0.00 5 I 8.75 4.12 1.18 0.00 0.00 -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 0.74 0.10 0.35 0.00 0.00 6 N 8.71 4.96 0.00 2.81 3.10 0.00 0.00 6.95 7.60 0.00 0.00 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 G 9.40 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 8 E 8.12 4.04 0.00 2.10 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 2.28 2.28 0.00 9 Q 8.22 4.16 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 10 I 7.33 4.12 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.95 0.00 0.00 11 R 9.41 4.44 0.00 1.74 1.95 0.00 3.36 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 12 S 7.37 4.69 0.00 4.00 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 13 I 8.15 3.74 1.91 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 1.72 1.32 0.95 0.00 0.00 14 S 8.12 4.19 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 15 D 7.82 4.34 0.00 2.89 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 16 L 7.73 3.84 0.00 1.78 1.83 0.60 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.37 4.35 0.00 3.30 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.50 4.03 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 19 T 8.18 3.84 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 1.07 0.00 0.00 20 L 7.85 3.88 0.00 1.83 1.61 1.05 0.86 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 21 K 8.13 3.51 0.00 1.96 1.94 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.32 7.81 22 K 7.81 3.86 0.00 1.91 1.86 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.48 7.81 23 E 8.40 3.91 0.00 1.94 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 2.43 2.48 0.00 24 L 8.25 4.29 0.00 1.54 1.63 1.02 0.83 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 25 A 7.59 3.72 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 26 L 7.62 3.82 0.00 1.17 0.91 -0.24 0.58 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 27 P 0.00 3.75 0.00 0.49 0.49 0.00 2.72 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 1.04 0.44 0.00 28 E 8.30 3.82 0.00 1.92 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 0.00 2.31 2.24 0.00 29 Y 7.20 4.32 0.00 2.98 3.05 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 30 Y 7.65 4.04 0.00 2.78 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 31 G 8.46 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 0.00 0.00 0.00 32 E 5.90 3.06 0.00 1.95 1.75 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 2.12 1.92 0.00 33 N 6.94 4.95 0.00 2.88 2.75 0.00 0.00 6.12 6.67 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 34 L 8.44 4.17 0.00 1.76 1.84 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.23 4.44 0.00 2.85 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 36 A 8.64 4.10 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 37 L 8.18 4.09 0.00 2.04 1.99 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.57 4.20 0.00 3.49 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 39 D 8.38 4.29 0.00 3.07 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 40 A 8.14 4.12 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 41 L 7.99 3.92 0.00 1.33 1.64 0.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.39 4.36 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 -0.09 0.00 0.00 43 G 8.16 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 0.00 0.00 0.00 0.00 44 W 8.22 4.95 0.00 3.44 3.19 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 0.00 45 V 7.96 3.63 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 0.28 0.00 0.00 0.95 0.00 0.00 46 E 8.17 4.12 0.00 1.82 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 2.15 2.24 0.00 47 Y 7.93 4.93 0.00 3.00 2.81 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 48 P 0.00 4.86 0.00 2.12 2.35 0.00 3.48 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 2.02 2.12 0.00 49 L 9.45 5.06 0.00 1.89 1.82 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 V 9.10 4.76 2.10 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 0.99 0.00 0.00 0.96 0.00 0.00 51 L 8.97 4.71 0.00 1.57 1.41 0.68 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.29 4.79 0.00 2.04 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 2.26 2.27 0.00 53 W 9.12 5.03 0.00 3.45 2.93 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 54 R 9.17 4.67 0.00 1.96 1.89 0.00 3.35 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 55 Q 8.66 3.45 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 56 F 7.93 3.86 0.00 2.61 2.89 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 57 E 8.37 3.96 0.00 2.05 2.01 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 2.54 2.41 0.00 58 Q 8.00 4.03 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 59 S 7.94 4.16 0.00 4.14 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 0.00 60 K 7.53 3.75 0.00 1.46 1.89 0.00 2.12 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.36 7.81 61 Q 7.52 4.15 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 62 L 7.71 4.35 0.00 1.84 1.85 0.97 0.96 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 63 T 8.29 4.44 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 1.31 0.00 0.00 *66 G 9.51 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 0.00 0.00 0.00 67 A 7.71 4.28 1.03 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 68 E 8.20 4.14 0.00 2.24 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 0.00 2.44 2.52 0.00 69 S 8.18 4.22 0.00 4.18 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 70 V 8.05 3.83 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 1.47 0.00 0.00 1.15 0.00 0.00 71 L 8.43 4.38 0.00 1.84 1.90 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.40 4.06 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 73 V 7.87 3.77 2.35 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 1.18 0.00 0.00 1.10 0.00 0.00 74 F 8.35 4.16 0.00 3.47 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 75 R 8.47 4.10 0.00 2.07 2.04 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 76 E 8.56 4.22 0.00 2.36 2.10 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 2.37 2.67 0.00 77 A 8.46 4.13 1.30 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 78 K 8.56 4.10 0.00 2.04 2.07 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 79 A 8.26 4.04 1.43 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 80 E 8.06 4.26 0.00 2.36 2.10 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 2.48 2.74 0.00 81 G 8.74 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 0.00 0.00 0.00 82 A 7.68 3.55 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 83 D 8.00 4.77 0.00 2.67 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 84 I 7.78 5.16 1.99 0.00 0.00 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 1.74 0.88 1.14 0.00 0.00 85 T 9.18 4.54 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 1.23 0.00 0.00 86 I 8.43 4.84 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.90 0.00 0.00 87 I 8.83 4.40 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 1.24 0.72 0.93 0.00 0.00 88 L 8.67 5.04 0.00 1.40 1.47 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.70 4.43 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.