NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3072 8.3001 118.7934 53.5050 34.1806 176.0323 2 A 3.4236 7.9247 119.6269 53.0016 15.3398 176.6862 *3 H 4.5993 8.2912 118.6373 55.5034 31.0525 177.3488 4 K 4.6703 7.8560 123.5185 55.4917 31.8192 179.7413 5 K 4.5490 8.0033 108.8639 55.7378 33.8177 172.6767 6 G 3.8679 8.1460 112.3638 46.6767 0.0000 172.7462 7 L 4.4902 7.8642 118.7668 53.1347 44.8367 175.8290 8 G 4.0352 8.4576 105.9993 46.3931 0.0000 173.8800 9 S 4.5066 8.8125 121.0066 58.0692 62.5990 170.2094 10 T 3.9307 7.0589 115.9282 65.3218 67.9100 173.9040 11 R 4.7463 8.2890 128.5872 56.0123 30.5645 174.9005 12 N 4.8678 8.2282 111.5040 51.7282 40.9344 174.4865 13 G 3.6463 8.2644 106.8259 46.9372 0.0000 172.9265 14 R 4.3678 7.5826 123.6407 55.2098 33.4242 173.7526 15 D 4.7424 8.0126 122.8816 54.5271 43.3355 176.4259 16 S 4.6563 8.1696 120.3028 57.1760 64.3736 174.1752 17 Q 4.2133 8.2743 119.8196 55.2812 29.3901 175.9314 18 A 4.1217 8.4230 122.4623 52.8991 18.8505 177.6759 19 K 4.3794 8.5007 118.6769 55.2852 33.0729 177.4034 20 R 3.4548 7.5752 109.0270 57.2608 27.2405 174.8635 21 L 4.5894 7.7274 126.0133 52.8216 44.9247 173.9961 22 G 3.6832 8.7090 105.0786 43.8985 0.0000 173.2271 23 V 3.7015 8.1823 118.8352 62.9129 31.0691 175.6742 24 K 3.9323 8.8499 128.2865 57.5920 32.3914 177.3618 25 R 4.2013 7.2262 115.9473 53.8454 30.9447 174.4932 26 Y 4.2908 7.5751 120.7480 56.9945 38.7827 175.5475 27 E 4.3682 8.3333 122.2739 58.0999 30.0811 176.9440 28 G 4.0591 9.1703 114.6356 45.1195 0.0000 173.4201 29 Q 4.3348 7.7811 119.1654 55.0176 29.8364 175.8207 30 V 4.0452 8.4726 124.9456 63.2710 32.3041 175.4667 31 V 4.6392 9.2167 119.9079 59.8614 36.0725 175.1227 32 R 4.9395 8.4251 121.3432 54.5624 32.4439 175.9295 33 A 4.1755 7.9324 122.6777 53.1313 18.9281 177.0808 34 G 4.0108 8.9308 109.2942 45.3497 0.0000 173.2584 35 N 4.3893 7.7131 116.8222 53.4862 39.5504 174.8755 36 I 4.2907 8.4255 118.3165 61.4228 37.9974 175.9073 37 L 4.3936 9.9452 126.3803 56.3389 43.7043 177.0104 38 V 4.7539 7.4405 117.5243 61.3198 35.4392 174.0975 39 R 4.7236 8.8688 127.4332 54.8825 31.2274 175.2770 40 Q 4.8692 8.5545 121.5485 54.2669 31.4566 175.7344 41 R 4.2251 9.2281 119.9939 59.0333 31.4703 178.0516 42 G 3.9262 7.3657 104.3981 46.2422 0.0000 173.9214 43 T 4.1278 7.7344 114.8725 60.8323 67.4240 175.2961 44 R 3.7577 7.9521 121.1905 58.3944 30.3467 176.8120 45 F 4.7022 8.3550 115.4955 55.4235 42.2767 175.2698 46 K 4.0886 8.8675 124.7399 55.1786 33.1894 174.9111 47 P 4.4412 0.0000 0.0000 62.4450 31.7704 176.2782 48 G 4.2766 8.4361 111.2990 45.6955 0.0000 174.0277 49 K 4.0871 9.1253 123.8756 56.8472 33.3219 177.1937 50 N 4.2469 8.7952 123.0677 53.6735 36.0041 174.2356 51 V 4.6557 7.4592 115.5267 61.6195 35.0602 174.1036 52 G 4.0931 8.4097 114.4559 44.3099 0.0000 171.2399 53 M 5.7593 7.7775 116.8836 52.4196 34.9516 174.6826 54 G 4.4207 7.8942 107.9258 44.7478 0.0000 174.6989 55 R 3.5250 7.7904 117.3136 58.9995 30.2249 178.0906 56 D 4.3541 7.7413 115.2730 53.4839 39.9481 177.0036 57 F 4.0388 8.3002 116.4082 59.2508 37.7407 175.5393 58 T 4.2755 8.3053 119.1802 63.9973 68.9168 173.3421 59 L 4.8233 8.6387 127.4749 53.7645 43.5474 176.0009 60 F 5.1826 8.4673 117.1785 54.9204 41.8598 173.8894 61 A 4.5930 8.9364 122.6456 52.5981 19.1229 177.9624 62 L 4.7565 8.4022 118.0468 55.1055 43.5069 176.3930 63 V 4.4842 7.3637 110.7660 60.5013 36.3884 172.5075 64 D 5.0099 8.7045 120.7054 52.9044 42.4365 177.2295 65 G 3.8574 8.1804 110.4775 45.9751 0.0000 171.2842 66 V 4.5224 7.3761 118.8438 61.9269 33.5138 175.9259 67 V 4.7161 8.0377 125.2866 61.9140 33.2525 174.4940 68 E 5.2487 9.6861 125.3726 54.8179 32.5665 175.0478 69 F 5.2110 10.6268 123.1837 56.6635 41.6537 174.9456 70 Q 4.6912 8.8735 119.0473 55.4877 32.7546 172.3475 71 D 5.1712 8.8533 125.5801 52.8767 43.1310 176.0602 72 R 4.6704 9.0014 121.8601 55.0894 33.6149 177.4287 73 G 3.9203 8.3001 111.9236 46.0377 0.0000 177.7653 74 R 3.8504 9.0218 123.7386 58.9924 30.0527 177.3843 75 L 4.1027 8.5926 117.6552 58.1828 42.0690 175.9211 76 G 3.8499 7.1927 103.2675 43.7762 0.0000 171.6079 77 R 5.1834 8.4201 118.0633 54.8251 32.3143 175.5671 78 Y 5.6923 9.4160 121.1690 55.4966 41.8609 174.8629 79 V 4.6065 7.8374 120.0177 61.5237 35.2211 173.7985 80 H 5.2657 9.2589 121.8309 54.6472 32.7459 171.8670 81 V 4.9130 8.6276 119.3120 61.0289 33.4441 174.6533 82 R 4.6154 8.7852 125.3960 53.8605 31.2137 175.7262 83 P 5.0203 0.0000 0.0000 62.9178 32.2899 173.6666 84 L 4.2802 7.9306 117.0386 56.0351 42.2724 174.8168 85 A 4.1862 8.3909 121.1228 53.0617 19.1827 176.0985 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 8.30 4.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.92 3.42 1.40 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 0.00 0.00 0.00 *3 H 8.29 4.60 0.00 2.95 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.86 4.67 0.00 1.75 1.44 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.97 7.81 5 K 8.00 4.55 0.00 1.70 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 0.87 7.81 6 G 8.15 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.86 4.49 0.00 1.63 1.42 0.92 0.67 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 8 G 8.46 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 9 S 8.81 4.51 0.00 3.64 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 10 T 7.06 3.93 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 11 R 8.29 4.75 0.00 1.89 1.82 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 1.50 1.64 0.00 12 N 8.23 4.87 0.00 2.69 2.77 0.00 0.00 7.10 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 13 G 8.26 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.58 4.37 0.00 1.93 1.81 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 15 D 8.01 4.74 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 16 S 8.17 4.66 0.00 3.90 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 17 Q 8.27 4.21 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 18 A 8.42 4.12 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 19 K 8.50 4.38 0.00 1.74 1.82 0.00 1.86 0.00 0.00 2.07 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.34 7.81 20 R 7.58 3.45 0.00 2.00 2.05 0.00 3.17 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 7.73 4.59 0.00 1.68 1.85 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.71 3.68 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 23 V 8.18 3.70 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 0.68 0.00 0.00 0.74 0.00 0.00 24 K 8.85 3.93 0.00 1.77 1.75 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.51 7.81 25 R 7.23 4.20 0.00 1.65 1.82 0.00 3.18 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 26 Y 7.58 4.29 0.00 3.09 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 27 E 8.33 4.37 0.00 2.21 1.89 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 2.37 2.65 0.00 28 G 9.17 4.06 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 0.00 29 Q 7.78 4.33 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 30 V 8.47 4.05 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 9.22 4.64 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 0.77 0.00 0.00 1.06 0.00 0.00 32 R 8.43 4.94 0.00 1.77 1.85 0.00 3.13 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 33 A 7.93 4.18 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 34 G 8.93 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 0.00 0.00 0.00 0.00 35 N 7.71 4.39 0.00 2.70 2.83 0.00 0.00 6.64 7.14 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 36 I 8.43 4.29 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.98 0.00 0.00 37 L 9.95 4.39 0.00 1.34 1.63 0.84 0.58 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 38 V 7.44 4.75 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 1.01 0.00 0.00 0.61 0.00 0.00 39 R 8.87 4.72 0.00 1.88 1.89 0.00 3.31 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 40 Q 8.55 4.87 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 41 R 9.23 4.23 0.00 1.84 2.08 0.00 3.27 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 42 G 7.37 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 43 T 7.73 4.13 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 0.97 0.00 0.00 44 R 7.95 3.76 0.00 2.09 1.88 0.00 3.23 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 45 F 8.36 4.70 0.00 2.94 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 46 K 8.87 4.09 0.00 0.79 0.87 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.02 7.81 47 P 0.00 4.44 0.00 2.11 1.89 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 48 G 8.44 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 0.00 0.00 0.00 0.00 49 K 9.13 4.09 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.55 7.81 50 N 8.80 4.25 0.00 3.02 2.86 0.00 0.00 6.53 7.68 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 51 V 7.46 4.66 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 0.54 0.00 0.00 0.97 0.00 0.00 52 G 8.41 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 53 M 7.78 5.76 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 54 G 7.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.53 0.00 1.77 1.84 0.00 3.17 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 56 D 7.74 4.35 0.00 2.73 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 0.00 0.00 0.00 0.00 57 F 8.30 4.04 0.00 3.23 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 58 T 8.31 4.28 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 1.38 0.00 0.00 59 L 8.64 4.82 0.00 1.54 1.41 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.47 5.18 0.00 3.26 3.10 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 61 A 8.94 4.59 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 62 L 8.40 4.76 0.00 1.54 1.74 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.36 4.48 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 0.94 0.00 0.00 0.95 0.00 0.00 64 D 8.70 5.01 0.00 2.54 2.60 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 0.00 0.00 0.00 0.00 65 G 8.18 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 66 V 7.38 4.52 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 1.05 0.00 0.00 0.95 0.00 0.00 67 V 8.04 4.72 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 1.03 0.00 0.00 1.08 0.00 0.00 68 E 9.69 5.25 0.00 2.05 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 2.31 2.22 0.00 69 F 10.63 5.21 0.00 2.96 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 70 Q 8.87 4.69 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 71 D 8.85 5.17 0.00 2.77 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 72 R 9.00 4.67 0.00 2.15 1.78 0.00 3.40 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 73 G 8.30 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 0.00 0.00 0.00 74 R 9.02 3.85 0.00 1.81 2.06 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 75 L 8.59 4.10 0.00 1.72 1.83 0.86 1.18 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 76 G 7.19 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 0.00 0.00 0.00 77 R 8.42 5.18 0.00 1.52 1.94 0.00 2.96 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 78 Y 9.42 5.69 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 79 V 7.84 4.61 1.70 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 0.58 0.00 0.00 -0.26 0.00 0.00 80 H 9.26 5.27 0.00 3.18 3.37 0.00 5.28 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.63 4.91 2.09 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 0.90 0.00 0.00 0.98 0.00 0.00 82 R 8.79 4.62 0.00 1.89 2.17 0.00 2.83 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 83 P 0.00 5.02 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 84 L 7.93 4.28 0.00 1.72 1.65 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.39 4.19 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 * Residues marked with a * may have inaccurate shift predictions.