NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2909 8.2649 123.5803 51.8492 20.1782 176.4245 4 I 4.0394 7.8098 121.5243 61.6025 37.6149 173.6927 5 H 4.9901 9.1672 122.9206 53.3834 33.1952 174.0494 6 C 4.4687 8.5765 118.2028 56.2737 40.6260 172.3890 7 P 4.4305 0.0000 0.0000 62.2005 31.4995 174.8242 8 P 4.3291 0.0000 0.0000 62.9753 31.8626 176.5649 9 C 4.6583 8.4959 119.4234 55.6106 41.6614 174.7563 10 S 4.5037 8.5632 122.5659 58.7982 64.8053 175.7255 *11 E 3.9780 8.6767 122.3419 61.2353 29.2527 180.3818 12 E 4.1680 8.0266 117.3834 59.3877 29.9383 178.9406 13 K 4.0958 8.1389 118.5019 59.6371 32.2571 179.3523 14 L 4.0013 8.1914 119.0730 57.7440 41.3335 179.2373 15 A 4.2521 8.1681 121.4521 54.5728 18.5265 179.4421 *16 R 4.2525 7.4337 117.0293 58.0547 30.2433 181.6780 17 C 4.5500 7.3699 115.8223 57.9364 40.7320 173.6963 18 R 4.3080 8.3727 123.1501 54.4945 29.8569 174.8518 19 P 4.3674 0.0000 0.0000 61.6699 31.9482 174.8443 20 P 4.4759 0.0000 0.0000 62.5822 32.2038 175.8205 21 V 4.1931 8.2020 113.7641 61.0264 33.1306 176.1619 22 G 3.8849 8.8491 111.6381 46.4398 0.0000 173.9875 23 C 4.5058 8.0599 116.8793 56.3003 40.7665 174.0762 24 E 3.9727 8.7713 124.1472 59.1261 29.6674 176.8460 25 E 4.7477 7.7371 117.8513 54.8176 33.1778 174.1198 26 L 5.0997 8.4736 125.7193 54.1314 43.5135 176.1721 27 V 4.5808 8.4310 113.8383 59.6461 36.5705 174.5380 28 R 4.4870 8.5191 122.8629 56.0659 30.7051 175.9278 29 E 4.2289 8.7601 124.8674 55.9763 30.7131 175.5047 30 P 4.4569 0.0000 0.0000 63.2728 33.2929 178.5349 31 G 3.7937 8.0389 108.1758 47.6984 0.0000 175.2395 32 C 4.8263 8.8702 121.6262 56.1247 40.3842 173.8156 33 G 3.9256 7.6426 108.6050 46.4949 0.0000 173.6015 34 C 4.5214 8.6970 118.0961 57.3639 41.3783 174.3093 35 C 4.8688 8.3904 117.4577 55.4498 42.6760 172.3211 36 A 5.2959 8.3755 121.3663 51.0697 20.8573 176.0663 37 T 4.7440 8.7213 109.5940 59.8030 72.9871 172.2516 38 C 5.0735 8.6723 118.3195 56.4797 41.0659 174.0250 39 A 4.4992 8.7739 124.7535 51.7306 19.1064 177.4958 40 L 4.1382 8.7951 121.1150 54.6709 43.3360 177.7111 41 G 4.1811 8.4368 111.8054 43.2787 0.0000 172.3420 42 L 4.1733 8.3194 120.4623 56.9412 41.9463 177.4544 43 G 3.9900 9.0381 113.8555 45.7450 0.0000 173.4566 44 M 4.3939 7.8466 119.9472 54.1970 33.2521 174.4177 45 P 4.9878 0.0000 0.0000 63.4524 32.4808 174.4169 46 C 4.7794 8.5703 115.7057 55.3943 43.8224 173.8801 47 G 4.0161 8.5161 106.6511 45.9142 0.0000 174.0083 48 V 3.4058 8.2275 118.7615 65.4033 31.3896 177.5212 49 Y 4.6083 7.5975 113.9096 57.7300 38.8334 175.5175 50 T 4.3641 7.2375 109.6042 59.7258 70.2518 172.3289 51 P 4.5031 0.0000 0.0000 62.7819 32.1819 176.7747 52 R 4.3094 8.3831 119.8628 55.8988 31.5926 177.0133 53 C 4.7608 8.6701 119.4693 57.1049 37.1583 174.5025 54 G 3.8337 8.6486 111.6356 44.4262 0.0000 173.0859 55 S 4.3116 8.6829 114.1842 59.3315 63.4927 174.9198 56 G 3.9443 8.9139 109.8041 45.7778 0.0000 172.5918 57 L 5.4108 7.6344 118.3279 52.8411 45.1294 175.9881 58 R 4.4874 8.9573 120.8650 54.5642 34.0306 173.3809 59 C 4.8148 8.6811 125.7732 56.9081 45.1117 171.9407 60 Y 4.9923 8.5851 124.4510 55.4029 40.6090 174.1753 61 P 4.7821 0.0000 0.0000 61.8088 32.3316 174.7758 62 P 4.4849 0.0000 0.0000 61.8326 32.3711 176.8118 63 R 3.8326 8.3963 117.2488 57.9278 29.5123 177.9987 64 G 4.0696 8.8811 108.8436 45.4689 0.0000 174.1965 65 V 3.7421 7.1277 114.1217 62.0791 32.0843 177.1024 66 E 4.1991 8.7186 118.8091 58.1482 30.2308 177.5224 67 K 4.6553 7.5331 117.2317 52.9724 32.8466 174.4920 68 P 4.3041 0.0000 0.0000 65.5158 31.6271 177.8750 69 L 4.0036 7.8740 117.2268 57.9267 41.7487 178.6955 70 H 4.1452 8.3082 118.0335 59.5580 29.7270 177.1922 71 T 4.0182 8.1838 111.5310 64.9191 68.5449 176.5109 72 L 3.9930 8.0078 121.8595 57.7251 41.3981 179.1871 73 M 4.1138 8.3008 118.2276 58.3407 31.9066 177.5205 74 H 4.8826 7.8569 113.2759 54.9724 29.0834 175.4910 75 G 3.9385 7.9525 107.7582 46.8867 0.0000 174.1774 76 Q 4.6188 8.3919 116.4252 55.3520 29.8195 176.2950 77 G 4.0567 8.1929 108.3712 46.0251 0.0000 173.3938 78 V 5.1885 8.6346 111.7830 59.4156 36.4306 174.9016 79 C 4.9762 9.1071 121.6695 57.4077 39.5973 172.8497 80 M 5.2978 9.1329 123.1911 52.9955 36.2249 174.9048 81 E 4.5898 8.7144 119.8288 56.2311 30.5217 177.2723 82 L 4.3595 8.7288 123.0966 55.1541 41.2986 177.0200 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 A 8.26 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 4.04 1.83 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 1.40 0.23 0.90 0.00 0.00 5 H 9.17 4.99 0.00 3.10 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.58 4.47 0.00 2.98 3.03 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 7 P 0.00 4.43 0.00 2.04 2.01 0.00 3.69 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 2.04 2.13 0.00 8 P 0.00 4.33 0.00 2.03 1.98 0.00 3.66 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 2.02 2.11 0.00 9 C 8.50 4.66 0.00 2.95 3.02 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 10 S 8.56 4.50 0.00 4.04 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 0.00 *11 E 8.68 3.98 0.00 2.00 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 2.31 1.97 0.00 12 E 8.03 4.17 0.00 1.93 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 2.34 0.00 13 K 8.14 4.10 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 L 8.19 4.00 0.00 1.83 1.72 0.96 1.33 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 15 A 8.17 4.25 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 *16 R 7.43 4.25 0.00 1.92 1.84 0.00 3.28 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 17 C 7.37 4.55 0.00 3.07 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 18 R 8.37 4.31 0.00 1.80 1.89 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 19 P 0.00 4.37 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 P 0.00 4.48 0.00 2.18 2.05 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 21 V 8.20 4.19 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 0.73 0.00 0.00 0.93 0.00 0.00 22 G 8.85 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 23 C 8.06 4.51 0.00 2.98 3.25 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 24 E 8.77 3.97 0.00 1.96 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 2.32 2.30 0.00 25 E 7.74 4.75 0.00 2.00 1.72 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 2.27 2.34 0.00 26 L 8.47 5.10 0.00 1.56 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.43 4.58 2.07 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 0.67 0.00 0.00 1.00 0.00 0.00 28 R 8.52 4.49 0.00 1.82 1.82 0.00 3.44 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 29 E 8.76 4.23 0.00 1.88 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 2.37 2.45 0.00 30 P 0.00 4.46 0.00 2.21 2.35 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 31 G 8.04 3.79 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 0.00 0.00 0.00 32 C 8.87 4.83 0.00 2.96 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 33 G 7.64 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 34 C 8.70 4.52 0.00 2.97 3.14 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 35 C 8.39 4.87 0.00 3.21 3.01 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 36 A 8.38 5.30 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 37 T 8.72 4.74 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 38 C 8.67 5.07 0.00 2.88 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 39 A 8.77 4.50 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 40 L 8.80 4.14 0.00 1.62 1.59 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.44 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.32 4.17 0.00 1.88 1.63 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.04 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 0.00 0.00 0.00 0.00 44 M 7.85 4.39 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 45 P 0.00 4.99 0.00 1.95 2.00 0.00 3.73 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 2.04 2.10 0.00 46 C 8.57 4.78 0.00 2.95 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 47 G 8.52 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 48 V 8.23 3.41 1.53 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 -0.04 0.00 0.00 0.76 0.00 0.00 49 Y 7.60 4.61 0.00 2.99 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 50 T 7.24 4.36 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 51 P 0.00 4.50 0.00 1.96 2.03 0.00 3.68 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 2.03 2.13 0.00 52 R 8.38 4.31 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 53 C 8.67 4.76 0.00 2.82 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 54 G 8.65 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 55 S 8.68 4.31 0.00 4.00 3.98 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 0.00 0.00 0.00 56 G 8.91 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 0.00 0.00 0.00 57 L 7.63 5.41 0.00 1.67 1.56 0.96 0.84 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 58 R 8.96 4.49 0.00 1.66 1.48 0.00 2.87 0.00 0.00 2.66 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.19 0.00 59 C 8.68 4.81 0.00 2.95 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 60 Y 8.59 4.99 0.00 3.02 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 61 P 0.00 4.78 0.00 1.99 2.03 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 62 P 0.00 4.48 0.00 2.06 2.00 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 63 R 8.40 3.83 0.00 1.97 2.06 0.00 3.01 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 64 G 8.88 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 65 V 7.13 3.74 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 0.73 0.00 0.00 1.02 0.00 0.00 66 E 8.72 4.20 0.00 1.99 1.86 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 2.23 1.90 0.00 67 K 7.53 4.66 0.00 1.71 1.74 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 68 P 0.00 4.30 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 69 L 7.87 4.00 0.00 1.71 1.72 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.31 4.15 0.00 3.25 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.18 4.02 4.30 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 1.31 0.00 0.00 72 L 8.01 3.99 0.00 1.87 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.30 4.11 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.96 0.00 74 H 7.86 4.88 0.00 3.24 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.95 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 0.00 0.00 0.00 76 Q 8.39 4.62 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 77 G 8.19 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 78 V 8.63 5.19 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 0.84 0.00 0.00 0.93 0.00 0.00 79 C 9.11 4.98 0.00 3.06 3.04 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 80 M 9.13 5.30 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 81 E 8.71 4.59 0.00 2.14 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 0.00 2.31 1.91 0.00 82 L 8.73 4.36 0.00 1.64 1.63 0.93 0.82 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 * Residues marked with a * may have inaccurate shift predictions.