NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6309 8.1476 118.3352 55.1757 33.4951 173.7273 2 V 4.1591 8.2097 117.6640 61.7173 32.9589 173.8256 3 K 5.0993 9.7870 122.7211 53.6652 37.7726 176.4510 4 I 4.8477 8.2566 121.6682 59.9351 39.8163 174.9965 5 R 4.9598 9.4284 123.7621 55.0900 33.4471 173.7583 6 L 5.2079 8.5553 118.0959 53.7196 43.6583 176.5127 7 A 4.6014 8.4818 121.7397 49.8442 21.7207 175.9564 8 R 3.2452 8.3524 123.0311 57.1834 30.7856 176.3674 9 F 4.2568 8.0051 120.6704 57.5497 44.0441 173.8952 10 G 3.7563 8.9955 110.8465 47.3369 0.0000 170.5901 11 S 4.9300 7.4056 117.1976 56.5696 65.6605 173.6823 12 K 4.1145 8.4326 121.3017 57.7875 32.5191 176.2455 13 H 4.2217 8.6253 116.9201 56.3403 26.5855 175.4479 14 N 4.8115 7.5802 109.8783 52.2406 40.1855 171.0989 15 P 4.6200 0.0000 0.0000 63.5781 33.4559 177.5156 16 H 4.6255 8.0982 112.1616 55.8703 31.6386 173.6443 17 Y 4.6980 8.8231 122.4845 56.8310 39.8405 174.4883 18 R 4.8500 8.7152 119.2950 54.7602 33.0995 173.6489 19 I 4.0308 8.6546 129.0969 62.1243 38.1128 175.7694 20 V 4.8313 9.2470 126.3623 60.1491 35.8197 174.3855 21 V 5.3037 8.7157 114.4691 59.2366 33.8850 175.3085 22 T 4.8741 8.0472 114.4619 59.6370 73.3041 172.3798 23 D 4.5953 8.5743 120.5011 53.5517 42.0167 176.0546 24 A 3.9621 8.5039 130.6295 55.7193 18.4973 178.9410 25 R 4.0322 8.6783 113.4004 59.5068 30.3289 178.1311 26 R 4.0315 7.5726 115.0841 55.8334 30.5165 176.4010 27 K 4.2156 8.2183 119.5961 56.0770 33.0750 176.0750 28 R 3.7121 7.8995 117.8695 60.5291 30.1301 176.4792 29 D 4.3523 7.8078 116.4192 54.5543 41.2776 179.1176 30 G 3.8345 7.4795 109.6598 45.2722 0.0000 172.8129 31 K 4.1854 8.4568 123.1469 54.9629 32.6653 177.2532 32 Y 4.5326 7.9736 124.5921 56.7645 38.9919 175.3765 33 I 4.0722 8.5089 121.1522 61.8451 38.0627 176.4676 34 E 5.3795 7.5569 122.3180 55.7553 31.9071 175.7399 35 K 4.3489 8.7562 127.3156 56.1478 33.2396 176.4617 36 I 4.5546 8.6438 113.4315 59.7173 40.1882 174.5313 37 G 4.4882 7.2506 108.3537 46.4735 0.0000 170.8221 38 Y 5.5096 6.8430 116.2198 55.6446 42.1697 173.7374 39 Y 6.1173 8.8471 120.7744 56.4687 43.0926 173.0767 40 D 4.8755 9.3931 126.6308 50.8375 42.8979 175.6006 41 P 4.9711 0.0000 0.0000 61.0373 30.1075 177.5263 42 R 4.3264 8.0182 112.5153 56.9809 36.7752 175.5444 43 K 3.8281 7.9183 117.9471 57.5726 29.8818 175.5086 44 T 4.0883 8.5455 108.2489 63.6078 69.4793 175.4117 45 T 4.7556 7.6170 118.6923 60.7017 71.0025 173.3963 46 P 4.2155 0.0000 0.0000 65.0480 31.7059 176.6616 47 D 4.9478 7.4504 119.9498 52.4482 40.0976 175.2152 48 W 4.7775 8.3018 120.0952 57.7417 30.3153 176.7446 49 L 5.0354 6.3438 120.1721 53.0128 44.2542 175.6700 50 K 4.0223 7.5163 119.8749 55.7914 36.4610 174.0113 51 V 4.5202 8.0963 127.0668 61.4458 34.4444 173.2466 52 D 4.2979 9.1306 129.6234 54.6996 41.4484 177.3298 53 V 3.4910 8.7046 120.2157 64.6658 31.8028 178.1012 54 E 3.9291 8.1329 117.8807 59.8282 29.3012 179.7742 55 R 3.8240 8.8021 117.8249 59.3092 30.0230 178.9185 56 A 4.1664 7.8757 119.6510 55.3080 18.4505 179.7131 57 R 3.9194 9.9993 116.2351 59.8304 30.0817 178.0841 58 Y 4.0946 7.9958 120.7028 59.7946 38.5277 178.0037 59 W 4.6790 8.2433 120.6277 59.6173 29.5536 177.9278 60 L 4.4154 7.7387 119.0115 56.7253 41.6669 178.8591 61 S 3.7436 8.1645 113.4295 60.4278 62.8888 175.7682 62 V 4.0352 7.5903 112.3285 60.3837 31.9561 172.6097 63 G 3.8354 9.9208 115.8599 46.0327 0.0000 174.1820 64 A 4.9946 8.2013 122.4446 51.1822 19.4428 175.1049 65 Q 4.0012 7.7898 119.9201 55.2894 30.1324 176.3955 66 P 4.9315 0.0000 0.0000 61.7457 33.3532 175.8226 67 T 3.9555 8.4674 117.9036 64.3066 69.6231 174.8073 68 D 4.3020 9.0589 123.3368 58.2341 40.9085 178.8668 69 T 4.0558 7.8501 109.2207 63.1369 67.7859 175.0011 70 A 4.3517 8.2176 123.2978 54.8351 18.9461 179.6480 71 R 3.9131 8.0920 117.4909 60.6631 30.3083 178.0462 72 R 3.4272 8.1839 113.7314 59.7047 30.0245 177.3559 73 L 3.7542 7.9594 117.1692 58.4841 42.2919 178.9285 74 L 3.8649 7.8240 117.7380 58.4019 41.2556 179.2175 75 R 4.2558 9.4799 118.5173 60.3061 29.8569 178.0414 76 Q 3.9086 8.6987 119.5084 59.2159 29.0196 178.2079 77 A 4.3815 7.8462 119.7519 50.7100 20.1470 177.5936 78 G 3.8751 8.7504 108.0337 47.6794 0.0000 174.2713 79 V 3.7847 7.7216 117.0809 64.1773 32.7587 176.6514 80 F 4.4303 8.1814 116.6962 58.4165 39.9188 175.9140 81 R 3.8461 8.0857 119.9715 57.0966 29.6434 175.3921 82 Q 4.4390 8.6217 121.7370 55.0343 30.0888 175.5592 83 E 3.8094 8.1980 121.5073 57.5085 28.1341 174.0554 *84 A 4.1104 7.8001 123.7192 52.4259 18.9361 176.1965 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 M 8.15 4.63 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.21 4.16 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 0.83 0.00 0.00 0.78 0.00 0.00 3 K 9.79 5.10 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.37 7.81 4 I 8.26 4.85 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 1.48 0.76 0.94 0.00 0.00 5 R 9.43 4.96 0.00 1.83 2.03 0.00 2.78 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 6 L 8.56 5.21 0.00 1.78 2.14 1.01 0.70 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 7 A 8.48 4.60 1.21 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 0.00 0.00 0.00 8 R 8.35 3.25 0.00 1.40 1.49 0.00 3.08 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.00 9 F 8.01 4.26 0.00 3.29 2.77 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 10 G 9.00 3.76 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 0.00 0.00 0.00 11 S 7.41 4.93 0.00 3.71 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 12 K 8.43 4.11 0.00 1.65 1.64 0.00 1.74 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.31 7.81 13 H 8.63 4.22 0.00 3.28 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.58 4.81 0.00 2.78 2.76 0.00 0.00 7.07 7.71 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 15 P 0.00 4.62 0.00 2.13 2.29 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 16 H 8.10 4.63 0.00 3.11 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.82 4.70 0.00 3.22 3.11 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 0.00 0.00 0.00 0.00 18 R 8.72 4.85 0.00 2.19 2.03 0.00 3.08 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 19 I 8.65 4.03 1.97 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 1.47 0.77 0.91 0.00 0.00 20 V 9.25 4.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.53 0.00 0.00 21 V 8.72 5.30 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 0.59 0.00 0.00 0.00 0.00 0.00 22 T 8.05 4.87 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 1.29 0.00 0.00 23 D 8.57 4.60 0.00 2.68 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 24 A 8.50 3.96 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 25 R 8.68 4.03 0.00 1.87 2.04 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 26 R 7.57 4.03 0.00 1.95 1.88 0.00 3.18 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 27 K 8.22 4.22 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.35 7.81 28 R 7.90 3.71 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.34 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 D 7.81 4.35 0.00 2.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.48 3.83 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 0.00 0.00 0.00 31 K 8.46 4.19 0.00 1.66 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.25 7.81 32 Y 7.97 4.53 0.00 3.06 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 33 I 8.51 4.07 1.68 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 1.21 0.65 0.83 0.00 0.00 34 E 7.56 5.38 0.00 2.23 1.96 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 2.30 2.24 0.00 35 K 8.76 4.35 0.00 1.40 1.71 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 36 I 8.64 4.55 1.89 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 1.34 1.04 1.04 0.00 0.00 37 G 7.25 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 38 Y 6.84 5.51 0.00 3.07 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 39 Y 8.85 6.12 0.00 3.01 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 40 D 9.39 4.88 0.00 2.78 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 41 P 0.00 4.97 0.00 2.11 1.67 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 42 R 8.02 4.33 0.00 1.91 1.89 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 43 K 7.92 3.83 0.00 1.49 1.44 0.00 1.13 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.55 4.09 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 45 T 7.62 4.76 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 1.33 0.00 0.00 46 P 0.00 4.22 0.00 2.27 2.27 0.00 3.80 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 2.07 2.05 0.00 47 D 7.45 4.95 0.00 2.69 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 48 W 8.30 4.78 0.00 3.89 3.41 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 49 L 6.34 5.04 0.00 0.75 0.61 0.71 0.22 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 50 K 7.52 4.02 0.00 1.27 0.74 0.00 1.19 0.00 0.00 1.26 0.00 0.00 2.67 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.99 1.09 7.81 51 V 8.10 4.52 1.96 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 0.70 0.00 0.00 0.81 0.00 0.00 52 D 9.13 4.30 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.70 3.49 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 0.81 0.00 0.00 0.88 0.00 0.00 54 E 8.13 3.93 0.00 2.08 1.99 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 2.38 2.36 0.00 55 R 8.80 3.82 0.00 2.03 2.20 0.00 3.26 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 56 A 7.88 4.17 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 57 R 10.00 3.92 0.00 1.99 1.94 0.00 3.23 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 58 Y 8.00 4.09 0.00 2.88 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 59 W 8.24 4.68 0.00 3.44 3.33 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 0.00 0.00 0.00 0.00 60 L 7.74 4.42 0.00 1.80 1.71 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.16 3.74 0.00 3.82 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 62 V 7.59 4.04 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 0.04 0.00 0.00 1.06 0.00 0.00 63 G 9.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.20 4.99 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 65 Q 7.79 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 66 P 0.00 4.93 0.00 2.13 2.10 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 67 T 8.47 3.96 4.34 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 1.24 0.00 0.00 68 D 9.06 4.30 0.00 2.70 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 69 T 7.85 4.06 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 70 A 8.22 4.35 1.38 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 71 R 8.09 3.91 0.00 2.24 1.90 0.00 3.09 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 72 R 8.18 3.43 0.00 1.89 1.70 0.00 3.26 0.00 0.00 3.32 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 73 L 7.96 3.75 0.00 1.61 1.52 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.82 3.86 0.00 2.18 1.80 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.48 4.26 0.00 1.84 2.29 0.00 3.09 0.00 0.00 3.04 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 76 Q 8.70 3.91 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.17 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 77 A 7.85 4.38 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 78 G 8.75 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 79 V 7.72 3.78 1.62 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 0.17 0.00 0.00 0.88 0.00 0.00 80 F 8.18 4.43 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 81 R 8.09 3.85 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 82 Q 8.62 4.44 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.94 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 83 E 8.20 3.81 0.00 2.14 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 2.21 2.23 0.00 *84 A 7.80 4.11 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 * Residues marked with a * may have inaccurate shift predictions.