NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0062 8.0549 117.8839 60.3094 34.2501 175.2845 4 I 3.9549 7.5902 130.2150 59.3695 37.1751 174.6010 5 N 5.0292 8.5999 120.0347 52.3333 39.7733 173.8391 6 T 4.6034 7.5993 109.8407 60.1235 72.4175 175.0838 7 F 4.2819 8.3390 120.0452 61.1685 38.9055 177.5835 8 D 4.5143 8.3287 117.0305 57.3800 41.0970 177.6968 9 G 3.7521 7.9126 105.8448 48.3666 0.0000 175.7502 10 V 3.6652 8.5520 121.0090 64.9254 31.6853 178.1707 11 A 4.0507 8.3123 120.7368 55.2284 18.2228 178.8290 12 D 4.3309 8.3420 116.6137 57.8124 41.2252 178.0269 13 Y 3.9992 8.2869 119.6823 60.7134 38.9050 177.5643 14 L 4.2142 8.5733 121.6156 57.4409 41.6005 179.5831 15 Q 3.9445 7.9915 117.5441 59.0933 28.9667 178.1929 16 T 3.7984 7.2978 115.7935 66.4588 68.8525 176.0896 17 Y 3.8933 7.9217 115.9229 57.2665 39.3864 175.1295 18 H 2.5800 7.4283 116.6967 54.8195 26.2270 173.2250 19 K 4.4978 6.8639 116.1028 56.4940 35.0128 174.8274 20 L 4.2661 8.3858 119.8652 52.8775 42.5236 175.0717 21 P 3.4409 0.0000 0.0000 62.5133 31.6160 176.6971 22 D 4.5932 8.1829 117.1237 55.4759 40.8937 176.6095 23 N 4.6554 7.8475 116.9174 53.0916 38.4045 173.8121 24 Y 5.1937 7.7152 117.9746 56.7651 40.7852 174.7576 25 I 4.9051 8.3766 115.3602 59.2532 41.5306 175.1738 26 T 4.5979 8.5694 114.9838 61.1985 69.7898 175.3868 27 K 4.0789 9.0605 121.4452 59.6919 31.7753 179.8006 28 S 4.2820 8.2836 115.5425 61.8012 61.8412 176.5647 *29 E 3.9927 8.5602 121.4564 61.0218 29.4919 181.9873 30 A 4.5256 8.3173 122.0989 55.0841 18.5190 179.8009 31 Q 4.4062 8.9920 117.8477 58.4345 28.5709 178.3985 32 A 4.3340 7.9697 122.6921 54.1894 18.6458 179.0016 *33 L 4.4835 7.2220 119.7999 55.9106 41.7486 182.8372 34 G 4.2565 7.9545 105.5634 45.3755 0.0000 173.9142 35 W 4.4058 8.7167 133.3162 58.4822 31.0978 175.8005 36 V 4.0162 8.7146 122.7218 58.4837 32.7604 173.1889 37 A 3.7026 7.1473 129.7929 54.5632 18.2526 179.5033 38 S 4.4657 7.8268 106.2295 59.3158 63.3265 174.6456 39 K 4.3694 8.7291 120.8122 55.9290 33.0061 176.4074 40 G 4.1027 7.9139 107.2308 46.8428 0.0000 173.8840 41 N 5.0728 8.0580 111.8175 52.3882 38.5214 175.4120 42 L 4.0120 8.2752 124.2063 59.2049 41.8837 178.2629 43 A 4.1034 8.0835 119.0022 54.0715 18.1236 179.1410 44 D 4.3059 7.8100 116.9236 57.5502 41.3500 178.7651 45 V 4.0055 7.6787 110.5748 62.8778 33.1428 177.0753 46 A 4.6855 8.2311 121.5759 49.7090 19.9686 172.7746 47 P 4.5844 0.0000 0.0000 62.7785 32.2077 177.6920 48 G 3.8597 8.7160 109.5654 45.5236 0.0000 173.5302 49 K 4.6322 7.6353 118.6455 55.6960 33.8279 176.3927 50 S 4.6707 8.4215 117.1673 56.4701 67.7403 173.6748 51 I 4.1368 8.0215 123.5777 61.7147 37.7715 175.3305 52 G 4.2207 9.0791 111.7482 46.8429 0.0000 173.8612 53 G 4.3952 9.2273 110.2834 44.4524 0.0000 174.0469 54 D 4.7037 7.8918 119.2735 53.8096 42.4510 175.7393 55 I 4.0415 8.3503 121.7944 61.7225 37.7805 175.2057 56 F 4.8598 8.9466 130.1862 56.6572 40.3379 175.4397 57 S 4.1722 8.2998 121.3658 57.8742 63.4154 173.4627 58 N 3.4020 5.8480 118.6063 53.7150 36.9930 175.5406 59 R 3.6875 7.3417 116.6145 58.9622 30.1718 177.9355 60 E 4.2728 8.0725 114.8868 55.5921 30.0430 176.9345 61 G 3.9021 8.1038 107.1655 46.1305 0.0000 175.3638 62 K 4.0707 7.4493 121.6533 58.8756 32.2217 178.2030 63 L 3.4917 7.6698 117.9617 52.6811 42.0328 175.0392 64 P 4.3301 0.0000 0.0000 62.8330 31.8603 176.1291 65 G 4.2493 8.5965 113.4019 44.8740 0.0000 173.5254 66 K 4.5815 8.2376 122.9485 52.9884 35.6984 177.2796 67 S 4.2586 8.6317 118.0972 59.8970 62.2998 174.6881 68 G 4.0104 8.9285 114.4490 44.3342 0.0000 173.4131 69 R 3.8301 7.7235 120.9606 56.0935 30.5918 175.4511 70 T 4.7039 8.6838 115.3955 59.6386 72.2648 172.9409 71 W 5.0764 8.5457 121.1993 55.1072 33.0041 174.7182 72 R 5.2836 8.7405 120.9224 54.5055 34.4623 173.8505 73 E 5.3224 8.8723 116.9697 55.1888 33.6900 174.0869 74 A 5.0425 8.8609 120.8786 50.5335 23.0140 175.5854 75 D 4.9948 9.2103 120.7873 54.4239 41.2552 176.1074 76 I 4.4604 8.4526 122.1111 60.0254 40.7174 175.5360 77 N 4.0342 9.0355 120.9957 54.4399 36.5078 173.5314 78 Y 4.6100 7.3002 115.8771 56.6993 39.9814 174.4634 79 T 3.9944 7.4837 117.8525 63.2654 70.7737 174.8138 80 S 4.1328 6.8630 113.7604 57.6578 66.4183 178.0064 81 G 3.8352 8.6792 106.5170 45.3858 0.0000 173.7341 82 F 4.8484 8.0996 121.6251 57.3109 39.7686 175.3598 83 R 4.2644 8.6294 122.0226 56.2409 30.8310 176.9360 84 N 4.9566 8.4291 118.4907 52.2529 40.0027 174.9944 85 S 4.6597 8.5716 113.7323 58.8178 64.6216 172.8047 86 D 5.6200 8.2965 121.5149 53.1859 43.0445 175.7086 87 R 4.9935 8.9579 120.9251 54.6043 35.1959 173.6796 88 I 5.1813 9.1999 122.8254 59.3629 40.7645 174.1123 89 L 5.4886 9.6973 129.3925 53.0999 44.8960 175.0727 90 Y 5.6658 8.7161 121.3157 55.4398 41.6960 175.2515 91 S 3.9237 8.6375 118.1608 56.6012 64.8885 175.2256 92 S 3.5363 7.9221 114.6993 59.9624 62.8742 174.7541 93 D 4.6765 7.3273 119.2833 52.3543 39.3129 175.8661 94 W 3.6467 6.7580 116.9490 58.3018 27.0473 174.4514 95 L 4.4812 7.9658 118.3320 54.7687 42.6233 176.5780 96 I 5.4122 8.5736 123.1997 60.0100 40.7605 174.1044 97 Y 5.3792 10.1458 124.2272 56.2676 42.9639 174.0066 98 K 5.3664 9.3549 119.0475 55.9025 36.8470 175.0341 99 T 4.9448 8.9854 114.5237 60.6652 70.8982 174.0698 100 T 4.9289 8.8238 115.1080 60.5117 69.8906 173.5502 101 D 4.7609 7.6962 121.7539 54.6572 39.9993 175.1439 102 H 3.8328 8.8387 115.1763 59.2154 28.5420 173.0411 103 Y 3.2759 7.1088 110.7118 58.9592 36.2591 172.3296 104 Q 4.1135 7.9532 120.1874 58.5333 28.9517 176.7546 105 T 4.6208 8.0006 105.7408 59.5233 71.6938 172.9286 106 F 5.3307 8.6371 121.1198 55.9752 42.4479 174.3945 107 T 4.8611 8.7201 112.5244 59.4143 71.8919 173.2298 108 K 3.4559 8.6090 125.5752 56.6533 32.2572 176.1537 109 I 4.3731 8.5361 127.2264 62.0120 39.8662 176.0673 110 R 4.1814 7.6223 124.2030 56.4481 31.1141 174.6283 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 V 8.05 4.01 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.59 3.95 1.70 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.91 0.00 0.00 5 N 8.60 5.03 0.00 2.75 2.81 0.00 0.00 6.37 7.22 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 6 T 7.60 4.60 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 1.19 0.00 0.00 7 F 8.34 4.28 0.00 3.16 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 8 D 8.33 4.51 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 3.75 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 0.00 0.00 0.00 10 V 8.55 3.67 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 0.93 0.00 0.00 1.04 0.00 0.00 11 A 8.31 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.33 0.00 2.97 2.96 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 13 Y 8.29 4.00 0.00 3.22 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 14 L 8.57 4.21 0.00 1.96 1.80 0.76 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.99 3.94 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 16 T 7.30 3.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 17 Y 7.92 3.89 0.00 2.45 2.81 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 18 H 7.43 2.58 0.00 2.81 2.58 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 6.86 4.50 0.00 2.00 1.98 0.00 1.60 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.59 7.81 20 L 8.39 4.27 0.00 1.65 1.52 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.44 0.00 2.01 0.91 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.75 0.00 22 D 8.18 4.59 0.00 2.62 2.71 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 0.00 0.00 0.00 0.00 23 N 7.85 4.66 0.00 2.70 2.85 0.00 0.00 6.11 7.57 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 24 Y 7.72 5.19 0.00 2.91 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 25 I 8.38 4.91 1.87 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 1.20 0.75 0.90 0.00 0.00 26 T 8.57 4.60 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 K 9.06 4.08 0.00 2.03 2.32 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.64 1.79 7.81 28 S 8.28 4.28 0.00 3.95 3.91 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 *29 E 8.56 3.99 0.00 2.00 1.94 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 2.24 2.20 0.00 30 A 8.32 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.99 4.41 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.79 0.00 32 A 7.97 4.33 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 *33 L 7.22 4.48 0.00 1.92 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.95 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 0.00 0.00 0.00 0.00 35 W 8.72 4.41 0.00 3.34 3.21 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 36 V 8.71 4.02 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 0.71 0.00 0.00 0.90 0.00 0.00 37 A 7.15 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.83 4.47 0.00 3.98 3.95 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 0.00 0.00 0.00 0.00 39 K 8.73 4.37 0.00 2.17 1.94 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.24 7.81 40 G 7.91 4.10 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 0.00 0.00 0.00 41 N 8.06 5.07 0.00 3.08 3.07 0.00 0.00 5.73 6.67 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 42 L 8.28 4.01 0.00 1.53 1.80 0.51 0.55 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 43 A 8.08 4.10 1.28 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 44 D 7.81 4.31 0.00 2.85 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 45 V 7.68 4.01 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 1.20 0.00 0.00 46 A 8.23 4.69 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 47 P 0.00 4.58 0.00 2.02 1.98 0.00 3.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 48 G 8.72 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 49 K 7.64 4.63 0.00 1.71 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.50 7.81 50 S 8.42 4.67 0.00 3.14 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 51 I 8.02 4.14 1.89 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.84 0.00 0.00 52 G 9.08 4.22 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 0.00 53 G 9.23 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 0.00 0.00 0.00 0.00 54 D 7.89 4.70 0.00 2.70 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 55 I 8.35 4.04 1.88 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 1.22 0.47 0.90 0.00 0.00 56 F 8.95 4.86 0.00 2.87 2.98 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 57 S 8.30 4.17 0.00 3.62 3.69 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 58 N 5.85 3.40 0.00 2.49 2.47 0.00 0.00 7.13 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 59 R 7.34 3.69 0.00 1.63 1.86 0.00 3.02 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 60 E 8.07 4.27 0.00 2.01 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 2.26 0.00 61 G 8.10 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 0.00 0.00 0.00 62 K 7.45 4.07 0.00 2.03 2.09 0.00 2.05 0.00 0.00 2.01 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.49 7.81 63 L 7.67 3.49 0.00 0.27 0.13 -0.53 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.33 0.00 2.30 2.12 0.00 3.11 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 2.30 2.15 0.00 65 G 8.60 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 0.00 0.00 0.00 0.00 66 K 8.24 4.58 0.00 1.64 1.61 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.00 7.81 67 S 8.63 4.26 0.00 3.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 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 69 R 7.72 3.83 0.00 1.61 1.85 0.00 3.27 0.00 0.00 2.70 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.12 0.00 70 T 8.68 4.70 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 71 W 8.55 5.08 0.00 3.50 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 5.28 0.00 0.67 1.22 0.00 3.06 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.34 0.00 73 E 8.87 5.32 0.00 2.00 1.77 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 2.32 2.36 0.00 74 A 8.86 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.21 4.99 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.46 1.37 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 -0.17 0.00 0.00 77 N 9.04 4.03 0.00 2.78 2.88 0.00 0.00 6.85 8.06 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 78 Y 7.30 4.61 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 3.99 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 1.06 0.00 0.00 80 S 6.86 4.13 0.00 3.59 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 81 G 8.68 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 82 F 8.10 4.85 0.00 3.19 2.97 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 0.00 0.00 0.00 0.00 83 R 8.63 4.26 0.00 1.92 1.90 0.00 3.12 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 84 N 8.43 4.96 0.00 2.85 2.96 0.00 0.00 5.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.57 4.66 0.00 3.88 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 86 D 8.30 5.62 0.00 2.82 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 87 R 8.96 4.99 0.00 1.61 1.76 0.00 3.42 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.00 88 I 9.20 5.18 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.91 1.04 0.00 0.00 89 L 9.70 5.49 0.00 1.59 1.47 -0.18 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.72 5.67 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.64 3.92 0.00 2.72 2.63 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 92 S 7.92 3.54 0.00 3.72 3.71 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 0.00 0.00 0.00 0.00 93 D 7.33 4.68 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 6.76 3.65 0.00 3.46 3.29 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 95 L 7.97 4.48 0.00 1.62 2.04 1.13 1.12 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 96 I 8.57 5.41 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 1.13 0.00 0.00 97 Y 10.15 5.38 0.00 2.78 2.87 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 98 K 9.35 5.37 0.00 1.47 1.77 0.00 0.77 0.00 0.00 1.27 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.03 7.81 99 T 8.99 4.94 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 1.01 0.00 0.00 100 T 8.82 4.93 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 1.27 0.00 0.00 101 D 7.70 4.76 0.00 2.99 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 0.00 102 H 8.84 3.83 0.00 3.20 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.11 3.28 0.00 3.15 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 0.00 104 Q 7.95 4.11 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 105 T 8.00 4.62 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 106 F 8.64 5.33 0.00 2.88 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 0.00 107 T 8.72 4.86 4.23 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 1.22 0.00 0.00 108 K 8.61 3.46 0.00 1.04 1.47 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 0.77 7.81 109 I 8.54 4.37 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.91 0.00 0.00 110 R 7.62 4.18 0.00 1.81 1.80 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.