NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5021 8.1476 120.6162 55.5264 34.3319 174.1943 2 V 4.3319 8.2344 125.9497 60.0307 32.1805 174.3783 3 K 4.4784 9.1480 129.0637 56.3143 35.0318 177.0432 4 I 4.8033 7.8921 120.3494 61.4960 41.4310 174.3142 5 R 4.6531 9.0577 122.9522 55.2279 33.1894 173.8710 6 L 4.8257 8.5370 119.4812 54.6185 42.8324 176.6310 7 A 4.7206 8.6274 123.9857 49.7782 21.5812 175.8240 8 R 3.7278 8.6932 121.8054 57.4088 30.0477 176.6479 9 F 4.7413 8.7382 118.4452 59.3683 44.4347 177.0283 10 G 4.2935 9.0156 101.7482 45.9945 0.0000 175.0298 11 S 4.3743 8.8694 119.6717 57.3696 65.3320 175.5111 12 K 3.6984 8.6208 121.4804 58.0838 31.1809 176.0315 13 H 4.2527 8.8462 121.9723 56.2467 27.2965 174.5724 14 N 5.0523 8.3862 117.8433 51.7294 38.7912 172.3199 15 P 4.5660 0.0000 0.0000 63.1982 32.7911 177.0206 16 H 4.7987 8.7605 120.8415 54.2591 32.1911 172.9511 17 Y 5.3522 8.8819 121.1927 56.2101 41.0942 174.5009 18 R 5.0334 8.6953 118.0217 55.0484 34.3481 175.2093 19 I 3.9852 8.6260 126.2246 61.7066 38.2818 175.6280 20 V 4.6366 8.5677 125.4329 61.2849 35.7804 173.6578 21 V 4.2717 8.1290 126.9229 61.7816 32.7981 174.5876 22 T 4.9180 8.0485 121.2873 60.5657 72.0925 171.3526 23 D 4.9732 8.5367 122.4285 53.0300 41.9332 176.6352 24 A 4.0464 8.9610 128.6750 55.3796 18.2750 179.1178 25 R 4.0374 8.5417 113.4390 58.5889 30.4883 177.5760 26 R 4.1406 7.7504 116.2949 55.3199 30.6519 176.2810 27 K 4.0818 8.4592 119.5045 56.6290 32.5998 178.3701 28 R 3.9482 8.3674 116.2758 58.8416 29.7028 177.0495 29 D 4.2893 7.9501 115.4791 54.2844 41.5732 175.8953 30 G 3.8692 7.2510 107.6015 45.3385 0.0000 172.9891 31 K 3.8622 8.4868 120.6367 56.4883 31.7284 175.4183 32 Y 4.9778 7.4816 122.9811 54.8830 40.7012 176.7331 33 I 3.8747 8.3645 122.4329 63.5025 37.6402 176.3931 34 E 5.1525 7.3246 116.6033 55.4422 33.3541 175.6878 35 K 4.2048 8.9769 128.0883 56.5088 33.2657 176.8781 36 I 4.5137 8.3806 118.1276 59.4891 37.7000 173.1956 37 G 3.9563 7.6606 105.9614 44.7840 0.0000 171.8266 38 Y 5.3868 7.8531 116.6146 55.6175 42.0591 173.4865 39 Y 5.5310 8.9317 119.8093 56.1845 42.3230 173.3060 40 D 4.6921 10.0607 128.0685 52.1406 42.3042 174.1283 41 P 3.9894 0.0000 0.0000 65.1927 31.5113 178.8886 42 R 3.8486 7.8575 112.4997 56.6598 30.0360 177.2677 43 K 3.6705 7.3722 117.1760 57.7591 29.4298 175.5027 44 T 4.0370 8.6773 107.8326 62.8912 69.6723 174.9205 45 T 4.7484 7.3599 111.3510 59.7834 71.8002 172.1041 46 P 4.5925 0.0000 0.0000 64.6816 31.4114 176.3879 47 D 4.6146 7.9012 118.0393 52.1112 40.7618 174.3280 48 W 4.9662 7.4464 117.0784 55.9333 30.3006 176.1492 49 L 5.2210 6.9577 123.9170 54.0741 44.3501 174.6642 50 K 4.3336 8.2325 127.2408 54.7762 35.2061 176.4645 51 V 3.7780 8.1162 123.2511 63.4371 33.6765 173.1171 52 D 4.4212 7.9141 120.4329 54.0582 37.7492 174.3844 53 V 3.5647 7.7348 116.8474 63.5928 32.3402 178.5460 54 E 3.9337 8.2249 119.3512 59.2779 29.6024 178.4172 55 R 4.1088 8.9838 118.1155 59.1914 30.0680 178.6133 56 A 4.2423 7.8575 120.4645 55.7611 18.1332 179.9359 57 R 3.9632 7.4919 113.0619 58.5629 30.2680 178.4798 58 Y 4.0780 9.0867 121.0569 60.4999 38.7856 177.5055 59 W 3.8557 8.0560 119.3231 59.6431 28.9928 178.0982 60 L 4.1602 7.7306 117.8448 56.5374 41.1026 178.3883 61 S 4.5844 7.7281 113.1512 58.2458 63.5650 174.6435 62 V 4.1833 7.8806 114.0145 60.4399 32.9748 175.1523 63 G 3.5615 8.5052 107.6413 44.9055 0.0000 174.1122 64 A 5.0126 8.0444 123.1573 52.0035 18.8961 176.5428 65 Q 4.6135 8.6912 124.7112 53.7452 30.8439 172.9252 66 P 4.7564 0.0000 0.0000 62.6135 32.5376 176.4416 67 T 4.0111 8.4477 118.8439 63.9842 69.5647 175.2541 68 D 4.3127 8.7983 123.3467 58.0892 40.7964 179.3952 69 T 3.8488 7.8202 115.4861 66.3971 68.4557 176.6155 70 A 3.9158 7.7528 122.4311 55.0398 18.2599 179.5088 71 R 3.9855 8.6276 117.7112 59.8000 30.3741 177.9637 72 R 3.9136 7.9260 118.8835 58.8874 29.9361 178.0014 73 L 3.8205 7.8541 118.2646 58.1696 41.5031 179.3853 74 L 3.7715 8.0247 119.7188 58.6293 41.8857 179.2690 75 R 4.1991 8.2735 118.3873 59.2616 29.9411 177.9692 76 Q 4.1432 8.1479 117.8633 57.5896 29.2460 176.1763 77 A 4.6105 7.8311 122.3635 53.0753 19.7039 175.8453 78 G 4.0599 7.8162 104.6577 47.7362 0.0000 175.9469 79 V 3.4965 7.2145 119.0085 64.5803 31.7317 176.4819 80 F 4.7971 7.6048 115.9518 57.5192 40.1247 176.1174 81 R 4.0589 8.0357 121.1198 56.6790 30.7192 176.3560 82 Q 4.5784 8.1909 120.7855 54.8563 28.7214 176.2804 83 E 4.1254 7.7928 122.8656 56.6203 28.6582 177.4534 *84 A 4.1104 7.6763 125.3218 52.4960 18.9361 176.8950 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 4.50 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 V 8.23 4.33 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 0.81 0.00 0.00 0.98 0.00 0.00 3 K 9.15 4.48 0.00 1.70 1.79 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 4 I 7.89 4.80 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.30 0.88 0.00 0.00 5 R 9.06 4.65 0.00 1.77 1.96 0.00 2.76 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 6 L 8.54 4.83 0.00 1.45 1.74 0.85 0.18 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 7 A 8.63 4.72 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 8 R 8.69 3.73 0.00 1.58 1.69 0.00 3.18 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 9 F 8.74 4.74 0.00 3.14 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 10 G 9.02 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.37 0.00 3.97 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 12 K 8.62 3.70 0.00 1.65 1.79 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.14 7.81 13 H 8.85 4.25 0.00 3.37 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.39 5.05 0.00 2.72 2.67 0.00 0.00 6.90 8.25 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 15 P 0.00 4.57 0.00 1.85 1.94 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 16 H 8.76 4.80 0.00 3.09 3.25 0.00 5.80 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 8.88 5.35 0.00 3.21 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 18 R 8.70 5.03 0.00 1.98 1.82 0.00 3.08 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 19 I 8.63 3.99 1.97 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 1.07 0.76 0.87 0.00 0.00 20 V 8.57 4.64 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 0.73 0.00 0.00 0.28 0.00 0.00 21 V 8.13 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 22 T 8.05 4.92 4.27 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 1.20 0.00 0.00 23 D 8.54 4.97 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.05 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 25 R 8.54 4.04 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 26 R 7.75 4.14 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.48 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 27 K 8.46 4.08 0.00 1.92 1.76 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.45 7.81 28 R 8.37 3.95 0.00 1.92 2.06 0.00 3.04 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 29 D 7.95 4.29 0.00 2.53 2.65 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 30 G 7.25 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 31 K 8.49 3.86 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.29 7.81 32 Y 7.48 4.98 0.00 3.01 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 33 I 8.36 3.87 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 1.00 0.00 0.00 34 E 7.32 5.15 0.00 2.16 1.76 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 2.19 2.22 0.00 35 K 8.98 4.20 0.00 1.65 1.79 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.39 7.81 36 I 8.38 4.51 1.91 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 1.17 0.60 1.08 0.00 0.00 37 G 7.66 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.85 5.39 0.00 3.27 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 39 Y 8.93 5.53 0.00 3.11 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 40 D 10.06 4.69 0.00 2.69 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 41 P 0.00 3.99 0.00 2.12 2.05 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.87 0.00 42 R 7.86 3.85 0.00 1.70 1.88 0.00 3.28 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 43 K 7.37 3.67 0.00 1.45 0.75 0.00 1.10 0.00 0.00 1.08 0.00 0.00 2.36 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.50 7.81 44 T 8.68 4.04 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 1.19 0.00 0.00 45 T 7.36 4.75 4.33 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 1.28 0.00 0.00 46 P 0.00 4.59 0.00 2.26 2.29 0.00 3.79 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 2.05 2.01 0.00 47 D 7.90 4.61 0.00 2.66 2.65 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 48 W 7.45 4.97 0.00 3.81 3.36 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 49 L 6.96 5.22 0.00 1.85 0.78 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.23 4.33 0.00 1.40 0.74 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.06 1.16 7.81 51 V 8.12 3.78 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 0.78 0.00 0.00 0.80 0.00 0.00 52 D 7.91 4.42 0.00 2.86 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 53 V 7.73 3.56 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 0.77 0.00 0.00 0.89 0.00 0.00 54 E 8.22 3.93 0.00 1.93 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 2.27 2.45 0.00 55 R 8.98 4.11 0.00 2.11 2.27 0.00 3.82 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 56 A 7.86 4.24 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 57 R 7.49 3.96 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 58 Y 9.09 4.08 0.00 2.67 2.88 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 59 W 8.06 3.86 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 60 L 7.73 4.16 0.00 1.71 1.80 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.73 4.58 0.00 3.87 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 62 V 7.88 4.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.40 0.00 0.00 63 G 8.51 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 64 A 8.04 5.01 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 65 Q 8.69 4.61 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 66 P 0.00 4.76 0.00 2.18 2.09 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 67 T 8.45 4.01 4.21 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 1.20 0.00 0.00 68 D 8.80 4.31 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 69 T 7.82 3.85 4.14 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 1.05 0.00 0.00 70 A 7.75 3.92 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 71 R 8.63 3.99 0.00 1.82 2.12 0.00 3.20 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 72 R 7.93 3.91 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.14 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 73 L 7.85 3.82 0.00 1.53 1.56 0.37 -0.14 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 74 L 8.02 3.77 0.00 2.10 1.74 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.27 4.20 0.00 2.40 2.22 0.00 3.19 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 76 Q 8.15 4.14 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 77 A 7.83 4.61 1.14 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 0.00 0.00 78 G 7.82 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 79 V 7.21 3.50 1.14 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 0.24 0.00 0.00 0.71 0.00 0.00 80 F 7.60 4.80 0.00 3.07 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 81 R 8.04 4.06 0.00 1.80 1.85 0.00 3.18 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 82 Q 8.19 4.58 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.46 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 83 E 7.79 4.13 0.00 1.98 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 2.32 2.31 0.00 *84 A 7.68 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.