NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8558 8.3544 109.7279 44.8990 0.0000 173.3382 4 R 3.6279 8.3618 122.0458 54.3234 30.8113 174.2077 5 T 4.7433 8.9673 115.9730 59.6462 73.2386 172.3841 6 W 5.2168 8.5541 120.9996 55.1270 33.4259 174.5028 7 R 5.3105 8.7094 120.3258 54.4772 34.4080 173.8746 8 E 5.3659 9.0532 117.4038 55.0423 33.6089 174.3247 9 A 5.0520 8.5474 120.2946 50.6397 22.9870 175.6581 10 D 4.9928 9.3702 121.4609 54.4996 41.2857 176.0686 11 I 4.5590 8.5361 122.4723 60.1349 40.6991 175.5080 12 N 4.1677 8.7948 120.1811 54.5775 35.6723 173.3808 13 Y 4.4402 7.5258 118.6093 57.4013 39.3120 173.9529 14 T 4.2528 7.5756 119.6636 61.5638 71.8492 170.7895 15 S 4.6674 7.2895 118.5931 56.6949 65.8486 178.2094 16 G 3.7959 8.5748 113.2024 46.6270 0.0000 174.6532 *17 F 4.4088 8.6711 122.2441 56.2544 38.6785 173.1685 18 R 4.5230 8.7566 123.9662 55.9289 30.5620 175.6480 19 N 5.0386 8.5270 117.3540 51.6785 40.0281 174.6292 20 S 4.6751 8.4443 111.7175 58.5982 64.6765 172.6940 21 D 5.3646 8.4209 121.6422 53.3114 42.5324 175.8018 22 R 5.1686 9.0705 121.7222 54.4565 35.3651 173.7162 23 I 4.9356 8.8206 121.8924 59.2696 41.0061 174.0852 24 L 5.4578 9.3287 129.2010 53.1120 44.5669 175.0634 25 Y 5.7115 8.9800 121.2793 55.4983 41.8435 174.8517 26 S 4.3241 8.4104 117.1777 56.0292 65.5955 175.0516 27 S 3.5118 7.8797 114.3095 59.9087 62.7501 174.7143 28 D 4.6464 7.2080 119.4409 52.3786 39.2723 175.8577 29 W 3.7123 6.8584 116.8144 58.2870 27.1574 174.2842 30 L 4.4917 7.5645 118.2890 54.7920 42.6370 176.4393 31 I 5.5145 8.4781 122.8082 60.1385 41.4226 173.9191 32 Y 5.4131 10.0103 123.7427 56.1053 42.7823 174.1718 33 K 5.2298 9.3522 118.7632 55.8023 36.7997 175.1609 34 T 4.9126 8.9615 115.3032 60.7226 70.6316 174.1474 35 T 5.2553 8.9062 115.4077 60.4414 70.3436 173.4564 36 D 4.7975 7.3704 121.9950 54.2196 40.0517 175.0402 37 H 3.7881 8.8194 113.7017 58.6780 28.8632 174.1492 38 Y 3.2396 7.3339 111.6864 58.4487 36.3957 171.2657 39 Q 4.1746 7.8116 120.9981 58.4761 28.9708 176.7898 40 T 4.7140 7.4732 104.8468 59.6891 71.8696 172.8546 41 F 5.2046 8.7533 120.9230 56.1569 42.3745 174.6512 42 T 4.8979 8.7828 117.7255 61.4251 72.3057 173.4747 43 K 3.6182 8.6810 126.4293 56.2841 33.1257 176.0734 44 I 4.2084 8.2323 130.4815 61.2866 37.7911 176.6665 45 R 4.4337 8.5738 124.8682 56.8492 31.2558 173.5151 *54 D 4.7383 8.0984 116.0631 53.6449 42.3173 181.4869 55 G 3.9768 7.8568 103.4121 47.2306 0.0000 176.0907 56 V 3.6654 7.8361 120.0005 65.8142 31.4831 177.5377 57 A 4.0384 8.0968 120.0397 55.5346 18.2387 178.9984 58 D 4.2333 8.1421 115.8142 57.4724 41.2009 177.7229 59 Y 4.0114 8.0580 119.8708 60.5143 38.8505 177.5853 60 L 4.1278 8.3196 120.2273 58.1707 41.5809 179.5659 61 Q 3.6922 7.9119 116.3714 59.1446 28.6619 178.9899 62 T 3.5860 7.5351 115.6486 66.0115 67.7678 175.8128 63 Y 4.3334 8.0304 116.7447 56.6517 38.9427 175.9221 64 H 2.9757 8.3458 116.2740 55.5962 26.7490 174.3539 65 K 4.6497 7.1606 112.3618 56.0057 35.3795 174.9481 66 L 4.2111 8.3430 119.7363 53.5514 41.9840 175.2984 67 P 3.5878 0.0000 0.0000 62.6120 31.6468 177.0495 68 D 4.2482 8.2583 118.2121 56.3826 41.0337 176.7662 69 N 4.7555 7.6205 117.1841 52.9287 38.4472 173.8308 70 Y 5.3295 7.9005 116.3448 56.6143 40.8231 175.0384 71 I 5.0064 8.7226 116.6246 59.1182 41.4785 175.3606 72 T 4.5768 9.6285 114.6302 61.2677 69.7986 175.5177 73 K 3.8903 9.1824 123.0539 59.9058 32.4686 179.3697 74 S 4.5202 8.0679 111.1590 59.7791 64.0437 175.8461 75 E 4.0923 8.1018 121.9431 59.3492 29.1820 178.6518 76 A 4.0751 8.1566 120.9118 55.2283 18.3134 179.4649 77 Q 3.7123 8.5471 115.6939 58.1934 28.6401 178.1652 78 A 4.1862 7.4185 120.5326 54.2234 18.7959 178.5762 79 L 4.3817 7.6759 114.9565 54.7281 41.8658 177.3634 80 G 3.8939 7.7691 107.2737 45.8055 0.0000 173.8753 81 W 4.3645 8.9259 130.3152 56.9293 31.2631 175.6384 82 V 3.7864 7.7980 123.3999 60.5285 33.2894 175.4272 83 A 3.1916 7.8256 130.6578 55.3228 18.2553 178.3958 84 S 4.2245 7.8936 109.9485 61.8914 63.0906 175.9948 85 K 3.8710 7.9814 117.9255 58.3683 32.3040 176.3741 86 G 3.7639 7.7901 105.1160 46.5103 0.0000 172.9569 87 N 4.9849 8.2198 115.7592 53.7153 40.8496 174.9825 88 L 4.0173 8.1303 121.1702 58.6035 42.2638 178.1548 89 A 4.1326 8.2318 120.1241 54.8480 17.9958 178.8428 90 D 4.4350 8.0048 115.9360 56.7998 41.6859 178.7110 91 V 4.0912 7.7518 111.0324 62.0539 33.3521 176.4333 92 A 4.5850 8.2493 121.5853 48.7232 18.5901 171.5553 93 P 4.5763 0.0000 0.0000 63.2141 31.8684 177.3943 94 G 3.9216 8.9712 112.1739 45.0471 0.0000 173.0752 95 K 4.5000 7.5355 118.5927 55.9925 33.3850 176.2321 96 S 4.5902 8.9300 118.1606 56.5160 67.1367 173.3321 97 I 4.3345 7.7277 122.1300 61.0257 38.1122 175.4679 98 G 4.0556 8.8520 112.0802 46.8044 0.0000 173.8291 99 G 4.4266 9.7399 110.0709 44.4404 0.0000 174.1044 100 D 4.6717 7.8737 119.6194 53.7462 42.3208 175.8588 101 I 4.0677 8.4411 122.2461 62.1850 37.8237 174.9767 102 F 4.9068 8.8270 128.9714 56.7289 40.7185 175.3084 103 S 4.1722 8.3049 121.1210 57.8397 63.8813 173.2225 104 N 3.2645 5.7732 118.6125 54.3736 36.7649 175.3339 105 R 3.8902 7.1799 115.4482 58.3257 29.5578 177.8639 106 E 4.3051 8.0002 116.2577 55.2553 30.0152 176.5130 107 G 3.8410 7.6981 106.5955 46.4659 0.0000 175.3980 108 K 4.0790 7.3631 118.6237 57.3723 32.4977 177.3961 109 L 4.0107 7.1394 118.0100 51.4624 43.2407 174.3589 110 P 4.1701 0.0000 0.0000 62.9409 31.8580 176.6964 111 G 3.8085 8.7333 110.0928 45.9652 0.0000 173.2061 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 G 8.35 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 4 R 8.36 3.63 0.00 1.74 1.84 0.00 3.22 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.30 0.00 5 T 8.97 4.74 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 1.19 0.00 0.00 6 W 8.55 5.22 0.00 3.57 3.19 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 0.00 7 R 8.71 5.31 0.00 0.67 1.45 0.00 3.06 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 8 E 9.05 5.37 0.00 1.97 1.79 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 2.33 2.33 0.00 9 A 8.55 5.05 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 10 D 9.37 4.99 0.00 2.65 2.68 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 11 I 8.54 4.56 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.97 0.00 0.00 12 N 8.79 4.17 0.00 2.91 2.95 0.00 0.00 6.85 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.53 4.44 0.00 2.95 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 14 T 7.58 4.25 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 15 S 7.29 4.67 0.00 3.60 3.64 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 16 G 8.57 3.80 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 0.00 0.00 0.00 *17 F 8.67 4.41 0.00 2.31 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 0.00 0.00 0.00 0.00 18 R 8.76 4.52 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 19 N 8.53 5.04 0.00 2.81 2.90 0.00 0.00 6.00 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 20 S 8.44 4.68 0.00 3.96 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 21 D 8.42 5.36 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.07 5.17 0.00 1.41 1.67 0.00 3.56 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.00 23 I 8.82 4.94 1.95 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 1.44 1.79 1.03 0.00 0.00 24 L 9.33 5.46 0.00 1.56 1.41 0.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.98 5.71 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 26 S 8.41 4.32 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 27 S 7.88 3.51 0.00 3.74 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 28 D 7.21 4.65 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.86 3.71 0.00 3.51 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.49 0.00 1.54 2.03 1.09 0.78 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 31 I 8.48 5.51 2.00 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 1.67 1.18 1.11 0.00 0.00 32 Y 10.01 5.41 0.00 2.84 2.95 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 33 K 9.35 5.23 0.00 1.79 1.92 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.39 7.81 34 T 8.96 4.91 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 0.75 0.00 0.00 35 T 8.91 5.26 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 1.18 0.00 0.00 36 D 7.37 4.80 0.00 2.99 2.79 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 37 H 8.82 3.79 0.00 3.22 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.33 3.24 0.00 3.18 3.23 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 39 Q 7.81 4.17 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 40 T 7.47 4.71 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 1.19 0.00 0.00 41 F 8.75 5.20 0.00 2.84 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 42 T 8.78 4.90 4.31 0.00 0.00 0.00 0.00 0.00 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 43 K 8.68 3.62 0.00 1.54 1.54 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.08 0.39 7.81 44 I 8.23 4.21 1.89 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 1.12 0.71 0.93 0.00 0.00 45 R 8.57 4.43 0.00 1.77 1.73 0.00 3.30 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 *54 D 8.10 4.74 0.00 2.72 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 55 G 7.86 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 0.00 0.00 0.00 56 V 7.84 3.67 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 1.13 0.00 0.00 1.04 0.00 0.00 57 A 8.10 4.04 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 58 D 8.14 4.23 0.00 2.74 2.86 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 59 Y 8.06 4.01 0.00 3.28 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 60 L 8.32 4.13 0.00 1.93 1.84 0.56 0.84 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 61 Q 7.91 3.69 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 62 T 7.54 3.59 3.39 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 0.15 0.00 0.00 63 Y 8.03 4.33 0.00 2.53 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 64 H 8.35 2.98 0.00 3.09 3.41 0.00 5.71 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 65 K 7.16 4.65 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.59 7.81 66 L 8.34 4.21 0.00 1.67 1.56 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 3.59 0.00 2.34 1.52 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.44 0.00 68 D 8.26 4.25 0.00 2.61 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 N 7.62 4.76 0.00 2.40 2.85 0.00 0.00 6.62 7.45 0.00 0.00 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 Y 7.90 5.33 0.00 2.85 2.83 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 71 I 8.72 5.01 1.92 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 1.27 0.63 0.90 0.00 0.00 72 T 9.63 4.58 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 1.26 0.00 0.00 73 K 9.18 3.89 0.00 1.96 2.16 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.77 1.48 7.81 74 S 8.07 4.52 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.09 0.00 2.21 2.05 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 2.36 2.35 0.00 76 A 8.16 4.08 1.26 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 77 Q 8.55 3.71 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.92 0.00 78 A 7.42 4.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.68 4.38 0.00 1.91 1.91 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.77 3.89 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 0.00 0.00 0.00 81 W 8.93 4.36 0.00 3.16 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 82 V 7.80 3.79 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 0.79 0.00 0.00 0.88 0.00 0.00 83 A 7.83 3.19 0.83 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 84 S 7.89 4.22 0.00 3.80 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 85 K 7.98 3.87 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.52 7.81 86 G 7.79 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 0.00 0.00 0.00 87 N 8.22 4.98 0.00 3.09 3.29 0.00 0.00 6.70 6.66 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 88 L 8.13 4.02 0.00 1.60 1.71 0.16 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.23 4.13 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 90 D 8.00 4.43 0.00 2.72 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 91 V 7.75 4.09 2.34 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 0.86 0.00 0.00 1.20 0.00 0.00 92 A 8.25 4.59 1.19 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 0.00 0.00 0.00 93 P 0.00 4.58 0.00 2.04 2.04 0.00 3.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 94 G 8.97 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 95 K 7.54 4.50 0.00 1.64 1.62 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.51 7.81 96 S 8.93 4.59 0.00 2.94 3.57 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 97 I 7.73 4.33 1.85 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.24 0.85 0.00 0.00 98 G 8.85 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 99 G 9.74 4.43 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 0.00 100 D 7.87 4.67 0.00 2.69 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 0.00 101 I 8.44 4.07 1.88 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 1.22 0.47 0.90 0.00 0.00 102 F 8.83 4.91 0.00 2.92 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 0.00 103 S 8.30 4.17 0.00 3.61 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 0.00 104 N 5.77 3.26 0.00 2.39 2.47 0.00 0.00 7.19 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 0.00 105 R 7.18 3.89 0.00 1.64 1.83 0.00 3.01 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.00 106 E 8.00 4.31 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 2.29 2.27 0.00 107 G 7.70 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 0.00 108 K 7.36 4.08 0.00 1.68 1.94 0.00 1.93 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 109 L 7.14 4.01 0.00 0.62 0.19 -0.67 -0.60 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 0.00 110 P 0.00 4.17 0.00 2.38 2.19 0.00 3.32 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 111 G 8.73 3.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.