NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2657 8.4444 121.4700 56.0223 30.7478 174.7266 3 S 4.3733 8.4412 119.8357 54.8047 65.2379 170.9692 4 N 4.8403 9.0798 124.7435 50.8106 41.1434 174.0664 5 L 3.9438 8.6145 118.3289 58.9933 41.8983 179.1969 6 T 4.0066 7.9774 115.3285 66.4921 68.6101 176.9469 7 T 3.9100 8.4813 111.7844 64.6785 68.5975 176.5851 8 A 3.9663 8.0038 123.1723 54.9098 18.3575 179.5318 9 A 3.9966 8.2531 119.3642 55.1811 18.3061 180.1546 10 S 4.0936 8.0543 114.0088 61.8973 63.0555 177.2888 11 V 3.6196 7.6765 114.7006 64.1987 31.2068 178.7892 12 I 3.6803 7.6150 119.4446 64.2631 36.9017 178.1373 13 A 3.9695 8.2904 121.6797 55.1887 17.7061 179.3539 14 A 3.9176 8.2297 119.0630 55.4324 18.3621 179.7376 15 A 3.9726 7.8824 118.7442 55.3742 18.4935 179.9275 16 L 3.9362 8.2379 117.4105 57.5780 41.7791 179.5196 17 A 3.9842 8.3099 121.1295 55.4492 18.1752 180.1024 18 V 3.8313 7.3744 108.7378 64.2782 31.8884 178.6614 19 G 3.7044 8.4494 106.0443 47.9621 0.0000 175.7652 20 I 3.8606 8.0598 122.5483 63.4676 37.1126 178.6589 21 G 3.8302 7.9210 104.5476 46.4641 0.0000 174.5862 22 S 4.6868 7.6302 117.0002 58.0976 63.6561 176.2752 23 I 3.7870 7.8014 124.8093 64.5154 36.9374 178.3129 24 G 3.5263 7.9350 105.7647 47.5535 0.0000 173.6945 25 P 4.4243 0.0000 0.0000 64.8122 31.4059 178.9417 26 G 3.6034 8.2627 104.5406 47.8576 0.0000 175.6434 27 L 4.1171 7.9484 122.2822 57.4236 41.6909 180.0253 28 G 3.6300 8.5553 105.9892 47.8918 0.0000 175.8320 29 Q 4.1644 8.5828 120.9211 58.6045 28.6048 179.0441 30 G 3.5615 7.9933 106.4827 47.6573 0.0000 175.6488 31 Q 3.9215 8.1770 121.7744 58.8300 29.1482 178.1865 32 A 3.9231 8.0984 121.5163 55.1942 18.5069 179.4566 33 A 4.0605 8.3215 119.7129 55.1475 18.4090 180.0295 34 G 3.5883 8.3232 104.4052 48.2759 0.0000 176.0355 35 Q 4.0800 8.1905 120.4077 58.1017 28.5598 178.6866 36 A 3.9626 7.9744 122.2081 55.3420 18.4599 180.1060 37 V 3.6113 7.9033 110.8521 64.1178 31.7500 178.4644 38 E 4.0336 8.2993 119.6037 59.2053 29.4476 179.1656 39 G 3.6176 8.3114 106.0321 47.7495 0.0000 175.8151 40 I 3.7203 8.1062 122.1859 64.1419 36.8851 178.3402 41 A 4.1015 7.9598 120.7266 55.0913 18.2170 179.3429 42 R 4.1453 7.6036 116.1324 58.3460 31.7872 176.8859 43 Q 4.5472 8.1609 119.1767 53.5856 29.8050 172.8562 44 P 4.6652 0.0000 0.0000 64.3985 32.0311 178.6550 45 E 4.0223 8.1902 116.0115 58.4038 29.6291 177.6991 46 A 4.4817 8.3101 120.5320 51.7591 18.9065 178.0021 47 E 3.9446 8.0240 120.7918 59.8451 29.6098 179.4373 48 G 3.5777 8.0152 104.7994 47.8055 0.0000 175.6152 49 K 4.0099 7.9891 120.8301 59.1022 32.0517 179.3842 50 I 3.6940 8.0032 120.2394 64.3894 36.9841 178.4670 51 R 3.9874 8.3128 119.8940 59.2785 30.0093 178.7259 52 G 3.6173 8.1885 105.4878 48.2276 0.0000 175.8642 53 T 3.9185 7.9630 118.5441 65.9969 68.4750 176.5373 54 L 3.9375 8.2465 122.7079 58.0727 42.1880 178.7462 55 L 3.9002 8.1051 120.2785 58.0750 42.1452 178.3338 56 L 4.0305 7.7383 119.7637 58.6855 42.0341 179.2512 57 S 4.2039 8.1528 114.6665 61.6796 62.5411 176.7170 58 L 4.0452 8.4162 120.7494 57.5817 41.3537 179.2682 59 A 4.1093 7.7229 119.9043 55.1463 18.4541 179.2067 60 F 4.0250 7.9927 114.5550 60.8896 39.1936 178.4420 61 M 4.3028 8.0224 116.7007 55.7260 31.9678 178.2858 *63 A 3.9420 8.0461 124.2728 52.0882 20.6048 179.8954 64 L 3.6277 7.3465 115.9430 58.4150 41.3560 180.0088 65 T 3.8483 7.6649 114.8234 66.4453 68.3581 176.8622 66 I 3.7143 7.3492 121.4392 64.2824 37.0742 177.7615 67 Y 4.5372 7.5747 118.0851 61.1220 37.6005 178.8873 68 G 3.6490 7.7158 106.4327 47.6094 0.0000 175.5153 69 L 3.9892 8.0145 122.7462 58.1482 42.1106 179.5998 70 V 3.7108 8.2246 112.7983 64.1028 31.4211 178.6735 71 V 3.5626 7.8947 117.9550 66.0096 31.4290 177.7170 72 A 4.0042 8.2137 120.5778 55.5098 18.1000 179.6543 73 L 4.1897 8.0966 117.2213 57.6474 41.7109 179.7750 74 V 3.6228 8.3264 118.8449 66.0875 31.2617 178.1747 75 L 4.0969 8.0311 117.5361 57.0558 41.4521 178.5443 76 L 4.2506 7.4473 116.9779 55.2360 42.5328 177.7018 77 F 4.9476 8.3911 114.4754 56.7476 41.0634 175.2832 78 A 4.7106 8.3922 122.5180 50.8394 19.2563 176.1128 79 N 4.2802 8.2734 119.7576 54.2135 39.4761 172.9326 80 P 4.2375 0.0000 0.0000 64.2027 31.9154 176.7318 81 F 4.9990 7.6826 116.2233 58.3523 41.2981 175.5426 82 V 4.0895 7.5892 116.8664 61.5588 32.4676 175.0573 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 E 8.44 4.27 0.00 1.95 1.93 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 2.19 2.31 0.00 3 S 8.44 4.37 0.00 3.88 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 0.00 4 N 9.08 4.84 0.00 2.93 2.89 0.00 0.00 6.16 6.98 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 5 L 8.61 3.94 0.00 1.72 1.69 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.98 4.01 4.38 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 1.30 0.00 0.00 7 T 8.48 3.91 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 8 A 8.00 3.97 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 9 A 8.25 4.00 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 10 S 8.05 4.09 0.00 4.08 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 11 V 7.68 3.62 2.06 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 0.96 0.00 0.00 0.98 0.00 0.00 12 I 7.62 3.68 1.87 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 1.59 0.84 0.91 0.00 0.00 13 A 8.29 3.97 1.42 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 14 A 8.23 3.92 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 15 A 7.88 3.97 1.41 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 0.00 0.00 16 L 8.24 3.94 0.00 1.85 1.74 0.93 0.86 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 17 A 8.31 3.98 1.44 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 0.00 0.00 18 V 7.37 3.83 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 0.80 0.00 0.00 1.06 0.00 0.00 19 G 8.45 3.70 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 0.00 0.00 0.00 20 I 8.06 3.86 2.04 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 0.88 0.93 0.00 0.00 21 G 7.92 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 22 S 7.63 4.69 0.00 4.02 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 23 I 7.80 3.79 1.95 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 0.77 0.92 0.00 0.00 24 G 7.93 3.53 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 0.00 0.00 0.00 25 P 0.00 4.42 0.00 2.16 2.30 0.00 3.54 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 2.29 2.16 0.00 26 G 8.26 3.60 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 0.00 0.00 0.00 27 L 7.95 4.12 0.00 1.86 1.74 0.92 0.95 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 28 G 8.56 3.63 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 29 Q 8.58 4.16 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 30 G 7.99 3.56 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 0.00 0.00 0.00 31 Q 8.18 3.92 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 32 A 8.10 3.92 1.39 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 0.00 0.00 33 A 8.32 4.06 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 34 G 8.32 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.08 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 36 A 7.97 3.96 1.39 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 0.00 0.00 37 V 7.90 3.61 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 0.74 0.00 0.00 1.00 0.00 0.00 38 E 8.30 4.03 0.00 2.09 2.13 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 2.30 2.33 0.00 39 G 8.31 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.11 3.72 2.01 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 1.45 1.21 0.91 0.00 0.00 41 A 7.96 4.10 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 42 R 7.60 4.15 0.00 1.85 2.13 0.00 3.23 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 Q 8.16 4.55 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 44 P 0.00 4.67 0.00 2.21 2.09 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 45 E 8.19 4.02 0.00 1.95 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 2.31 2.31 0.00 46 A 8.31 4.48 1.33 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 0.00 0.00 47 E 8.02 3.94 0.00 2.27 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 2.31 2.50 0.00 48 G 8.02 3.58 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 0.00 0.00 0.00 49 K 7.99 4.01 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 50 I 8.00 3.69 2.07 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 0.78 0.91 0.00 0.00 51 R 8.31 3.99 0.00 2.07 2.05 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 52 G 8.19 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.96 3.92 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 1.20 0.00 0.00 54 L 8.25 3.94 0.00 1.91 1.80 0.92 0.42 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 55 L 8.11 3.90 0.00 1.96 1.78 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.74 4.03 0.00 1.97 1.94 0.95 0.94 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 57 S 8.15 4.20 0.00 4.10 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 0.00 58 L 8.42 4.05 0.00 1.84 1.75 0.93 0.80 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 59 A 7.72 4.11 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 60 F 7.99 4.02 0.00 3.19 3.18 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 61 M 8.02 4.30 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 *63 A 8.05 3.94 1.09 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 64 L 7.35 3.63 0.00 1.72 1.73 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.66 3.85 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 1.20 0.00 0.00 66 I 7.35 3.71 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.89 0.00 0.00 67 Y 7.57 4.54 0.00 3.15 2.92 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 68 G 7.72 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 69 L 8.01 3.99 0.00 1.79 1.89 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.22 3.71 2.14 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 0.84 0.00 0.00 1.03 0.00 0.00 71 V 7.89 3.56 2.26 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 1.03 0.00 0.00 0.99 0.00 0.00 72 A 8.21 4.00 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 73 L 8.10 4.19 0.00 2.11 1.85 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.33 3.62 2.23 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 1.03 0.00 0.00 0.97 0.00 0.00 75 L 8.03 4.10 0.00 1.85 1.70 0.94 0.85 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 76 L 7.45 4.25 0.00 1.21 1.05 0.82 0.80 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 77 F 8.39 4.95 0.00 3.10 2.99 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 78 A 8.39 4.71 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 79 N 8.27 4.28 0.00 2.77 2.71 0.00 0.00 7.27 7.69 0.00 0.00 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 P 0.00 4.24 0.00 1.19 1.75 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 81 F 7.68 5.00 0.00 3.07 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 82 V 7.59 4.09 2.33 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 0.83 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.