NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5436 8.3293 117.6236 57.1815 30.0729 172.7482 11 P 4.6481 0.0000 0.0000 61.9923 32.6874 172.9115 12 L 5.0467 7.8081 123.5350 54.6140 45.0906 176.9859 13 M 5.0364 9.1407 126.1548 53.2385 35.8769 170.8918 14 V 4.8573 8.5455 121.4014 60.5247 34.9769 174.2178 15 K 5.0227 8.9078 128.0161 54.6045 35.7632 174.7999 16 V 4.8689 8.7918 126.3679 61.0925 34.6946 174.0255 17 L 5.0991 8.9269 127.3551 52.9365 45.4686 174.8940 18 D 5.1337 9.4413 122.9521 52.7888 42.2744 176.6307 19 A 4.2946 9.2706 128.5122 53.6275 18.4498 178.3492 20 V 3.9515 8.9324 115.4500 64.5033 32.0256 176.9311 21 R 4.3586 8.5123 115.7551 55.1035 31.5430 175.7045 22 G 3.9581 8.2535 106.3203 45.9323 0.0000 172.2162 23 S 4.8350 7.2786 111.9927 55.7838 67.3992 173.2231 24 P 4.5747 0.0000 0.0000 63.1409 32.0539 175.8740 25 A 4.3902 8.8211 124.3219 50.8992 19.7636 176.2467 26 I 4.3649 8.3662 122.6886 61.3117 38.9137 175.5619 27 N 4.1981 8.6309 122.7192 54.5784 37.8898 173.7721 28 V 4.0564 7.8756 117.1493 61.3865 32.8497 175.0470 29 A 4.6242 8.6210 130.0524 51.9809 19.8439 176.0403 30 V 4.8259 8.9503 121.5542 61.3409 35.0547 173.9157 31 H 5.0221 9.2525 124.5604 53.8884 32.0243 172.6818 32 V 4.7830 8.8055 123.4482 61.2106 33.9786 174.4469 33 F 5.6551 9.3975 125.0157 55.8063 43.5493 173.5746 34 R 4.8075 9.2872 121.6635 54.1841 32.9485 174.7098 35 K 3.9366 8.5547 127.9210 55.7308 32.6379 176.7821 36 A 4.1684 9.3462 131.8797 51.2647 19.1912 177.9254 37 A 4.0454 8.3141 122.3143 55.2411 18.8229 178.5973 38 D 4.4629 7.9972 113.1760 53.5382 39.3740 176.8703 39 D 4.1076 7.7524 117.6066 55.3719 39.0483 173.6598 40 T 4.2293 6.9153 109.3185 60.3571 71.3584 173.9725 41 W 5.2174 8.3633 122.5028 55.7771 29.8681 175.9253 42 E 4.5449 9.3587 126.3096 54.8323 30.4302 174.7437 43 P 4.6227 0.0000 0.0000 63.9351 31.5184 175.3160 44 F 4.8050 8.8794 123.5292 59.6001 41.9361 174.4039 45 A 4.5774 7.6735 117.2063 51.5056 22.2996 174.9531 46 S 4.7016 8.1077 111.9080 58.3652 65.7936 174.4849 47 G 4.0265 8.2671 107.0131 46.0669 0.0000 171.7702 48 K 5.2841 8.4398 118.6491 54.2199 35.0273 176.9444 49 T 4.2038 8.6733 115.4192 61.8315 70.1956 175.0815 50 S 4.7061 9.3970 119.6032 57.5671 64.6112 174.2597 51 E 3.8687 8.7160 120.1473 58.9665 29.3371 177.6996 52 S 4.4982 8.4068 112.2524 57.7281 63.2981 174.6994 53 G 4.0508 8.3821 108.7784 45.6366 0.0000 172.9138 54 E 5.1096 7.4152 118.8711 54.1733 32.9719 174.9548 55 L 5.0817 9.0394 126.5583 54.6948 45.5203 175.4974 *56 H 5.1487 8.5166 125.8049 54.1007 32.6223 169.8218 57 G 4.3671 8.6779 100.3459 48.3040 0.0000 175.0009 58 L 4.0071 7.3119 120.8082 57.3407 41.9323 177.0724 59 T 4.3816 7.2944 110.3879 61.4532 70.4163 171.6245 60 T 4.6639 8.1644 115.2175 59.7779 71.3403 175.5257 61 E 4.1369 9.0316 120.4955 59.9119 29.9200 179.9075 62 E 4.2320 8.5242 115.7922 59.8293 29.8697 181.8768 63 E 4.4371 7.7962 113.6512 57.3305 30.6768 179.0650 64 F 4.9633 8.0841 121.0922 58.0158 37.6119 174.6686 65 V 4.0600 7.3790 116.6132 59.8804 33.2544 176.3384 66 E 4.4172 8.0495 119.7080 55.4561 29.8423 177.4465 67 G 3.8549 7.6521 109.9204 45.6228 0.0000 170.4890 68 I 4.6456 7.0166 119.4709 59.7587 39.3608 174.9933 69 Y 5.1126 8.5876 123.7951 55.9270 41.8394 174.4875 70 K 4.8809 9.1450 122.8502 54.6158 35.5186 174.8581 71 V 4.7440 8.9073 127.8791 61.3559 33.4987 173.6464 72 E 4.9286 9.6952 131.0577 54.6225 31.7062 174.3551 73 I 4.5660 8.7601 128.2774 59.4736 39.3126 175.5803 74 D 4.8245 8.9805 129.5296 53.5593 38.0297 176.4992 75 T 3.9247 7.7758 114.6795 64.0488 69.3385 176.5962 76 K 4.1444 8.0665 122.1254 59.6758 32.3139 178.8720 77 S 4.1831 8.8135 115.7391 61.4554 62.7696 176.0337 78 Y 3.9380 7.6523 121.0722 60.6609 38.5326 178.3666 79 W 4.3784 8.1405 119.7683 59.6824 29.0561 178.7890 80 K 4.0446 8.4837 118.4526 59.3542 31.2714 179.1668 81 A 4.0260 8.0459 120.2763 54.5206 18.2721 178.6082 82 L 4.4045 7.1211 113.7713 54.1416 41.9867 177.2601 83 G 3.9451 8.2828 107.4143 45.8916 0.0000 173.4888 84 I 4.4874 7.8660 119.1042 59.0007 39.9436 175.3175 85 S 4.4529 8.6780 119.5147 56.6693 62.3151 171.7249 86 P 4.5288 0.0000 0.0000 61.1307 33.4670 175.2679 87 F 3.9768 8.2696 120.7304 60.5934 39.5220 176.0306 88 H 4.4385 7.8582 115.5565 55.0868 29.4805 175.4222 89 E 4.0173 8.6074 122.0585 59.6633 29.5348 176.2488 90 H 4.7811 7.5823 110.6825 55.8935 31.2075 172.9672 91 A 4.5417 8.6432 122.8111 50.5944 21.4546 176.1109 92 E 5.0415 8.7544 118.3548 54.6240 33.2140 174.6007 93 V 4.4656 8.9404 125.2458 60.2077 33.9986 174.3450 94 V 5.0979 8.4634 127.8241 61.1956 33.9536 174.3013 95 F 5.0211 8.8765 120.9442 56.5122 41.6661 172.7246 96 T 4.9324 8.7262 116.4834 62.2166 70.0522 174.1488 97 A 4.5288 8.9539 131.4168 51.5033 20.4203 177.8712 98 N 5.0603 9.0456 118.5557 51.6379 39.9227 172.1412 *99 D 4.5136 8.4151 120.0080 53.7444 41.8832 176.1435 *100 S 4.3436 8.3292 118.3728 58.0486 64.2725 172.5159 *102 P 4.2936 0.0000 0.0000 62.4976 32.4859 177.1765 *103 R 4.3405 8.0933 117.0124 56.0223 31.4350 174.7285 *104 H 5.0467 8.2562 119.8346 55.0041 31.6870 173.1335 105 Y 4.8860 9.2321 123.9950 56.5636 40.4769 174.6456 106 T 4.8647 8.8368 121.6118 61.8466 71.4493 173.4799 107 I 4.6733 8.9389 128.2484 60.0433 38.5830 174.6521 108 A 5.3618 9.0701 129.6781 50.1617 21.9345 175.1572 109 A 5.0832 9.0888 121.5262 50.0775 23.1740 174.8538 110 L 5.0037 8.9819 123.7813 53.3458 44.6484 174.9339 111 L 5.2794 9.0143 127.0402 53.4275 44.1719 175.9676 112 S 5.2363 9.4789 118.8106 56.0665 67.1443 173.3654 113 P 3.1341 0.0000 0.0000 65.2275 31.0844 177.8332 114 Y 4.5904 7.7968 111.9235 57.1930 38.6768 174.9689 115 S 4.7444 8.0125 113.3795 57.4733 65.7035 172.5221 116 Y 5.5608 7.8262 122.6830 55.7566 40.9899 173.8833 117 S 4.9568 9.2461 115.1554 56.9531 66.3404 172.7692 118 T 5.2049 8.4779 115.0405 60.9110 70.5466 172.9015 119 T 4.8275 8.9646 123.1025 61.7311 73.0543 172.4282 120 A 4.9765 8.5831 126.0552 50.3778 21.0491 176.3934 121 V 4.1050 8.9532 123.5466 61.2755 33.5171 174.7289 122 V 4.5504 8.3253 129.2202 61.3064 32.9586 175.4556 123 T 4.2293 8.4271 118.1267 61.7936 68.8999 173.8495 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 *10 C 8.33 4.54 0.00 2.69 2.77 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 0.00 0.00 0.00 11 P 0.00 4.65 0.00 2.47 2.43 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 12 L 7.81 5.05 0.00 0.69 1.06 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.14 5.04 0.00 1.69 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 14 V 8.55 4.86 2.02 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 0.97 0.00 0.00 0.89 0.00 0.00 15 K 8.91 5.02 0.00 1.89 1.54 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.22 7.81 16 V 8.79 4.87 1.89 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 0.63 0.00 0.00 0.81 0.00 0.00 17 L 8.93 5.10 0.00 1.59 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.44 5.13 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.27 4.29 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 20 V 8.93 3.95 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 0.94 0.00 0.00 1.03 0.00 0.00 21 R 8.51 4.36 0.00 1.93 2.01 0.00 3.50 0.00 0.00 3.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 22 G 8.25 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 23 S 7.28 4.83 0.00 3.88 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 24 P 0.00 4.57 0.00 2.11 2.18 0.00 3.76 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 1.99 1.97 0.00 25 A 8.82 4.39 0.57 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 0.00 0.00 26 I 8.37 4.36 1.91 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 1.23 0.64 0.91 0.00 0.00 27 N 8.63 4.20 0.00 2.85 2.92 0.00 0.00 7.10 7.33 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 28 V 7.88 4.06 1.90 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 0.78 0.00 0.00 0.49 0.00 0.00 29 A 8.62 4.62 1.27 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 0.00 0.00 0.00 30 V 8.95 4.83 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 1.01 0.00 0.00 0.85 0.00 0.00 31 H 9.25 5.02 0.00 2.99 2.55 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.81 4.78 2.24 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 1.11 0.00 0.00 0.93 0.00 0.00 33 F 9.40 5.66 0.00 2.83 3.22 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 34 R 9.29 4.81 0.00 1.55 1.74 0.00 3.03 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 35 K 8.55 3.94 0.00 1.30 1.26 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.50 0.21 7.81 36 A 9.35 4.17 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 37 A 8.31 4.05 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 38 D 8.00 4.46 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.75 4.11 0.00 3.00 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 40 T 6.92 4.23 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 41 W 8.36 5.22 0.00 3.00 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 42 E 9.36 4.54 0.00 2.08 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 2.36 2.32 0.00 43 P 0.00 4.62 0.00 2.03 2.10 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 44 F 8.88 4.81 0.00 3.09 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 45 A 7.67 4.58 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 46 S 8.11 4.70 0.00 3.58 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 47 G 8.27 4.03 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 0.00 0.00 0.00 48 K 8.44 5.28 0.00 1.57 1.66 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.67 4.20 4.05 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 1.16 0.00 0.00 50 S 9.40 4.71 0.00 3.87 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 51 E 8.72 3.87 0.00 1.92 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 2.28 2.36 0.00 52 S 8.41 4.50 0.00 3.96 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 53 G 8.38 4.05 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 0.00 0.00 0.00 54 E 7.42 5.11 0.00 2.04 1.80 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 2.19 2.38 0.00 55 L 9.04 5.08 0.00 1.63 1.40 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *56 H 8.52 5.15 0.00 2.59 2.91 0.00 7.38 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.68 4.37 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 0.00 0.00 0.00 58 L 7.31 4.01 0.00 1.71 1.70 0.87 0.63 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 59 T 7.29 4.38 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 1.01 0.00 0.00 60 T 8.16 4.66 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 61 E 9.03 4.14 0.00 2.01 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 2.24 1.90 0.00 62 E 8.52 4.23 0.00 1.98 1.89 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 2.23 1.88 0.00 63 E 7.80 4.44 0.00 1.98 1.89 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 2.23 2.11 0.00 64 F 8.08 4.96 0.00 3.10 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 65 V 7.38 4.06 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 0.87 0.00 0.00 0.97 0.00 0.00 66 E 8.05 4.42 0.00 2.00 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 2.27 0.00 67 G 7.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.02 4.65 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 1.03 0.00 0.00 69 Y 8.59 5.11 0.00 1.81 2.53 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 70 K 9.14 4.88 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.97 7.81 71 V 8.91 4.74 2.18 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 0.97 0.00 0.00 1.10 0.00 0.00 72 E 9.70 4.93 0.00 2.07 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 0.00 2.13 1.92 0.00 73 I 8.76 4.57 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.77 0.00 0.00 74 D 8.98 4.82 0.00 2.78 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 75 T 7.78 3.92 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 1.14 0.00 0.00 76 K 8.07 4.14 0.00 2.17 1.93 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.58 7.81 77 S 8.81 4.18 0.00 3.93 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 78 Y 7.65 3.94 0.00 2.88 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 79 W 8.14 4.38 0.00 3.52 3.32 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 80 K 8.48 4.04 0.00 1.94 1.89 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.33 7.81 81 A 8.05 4.03 1.27 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 0.00 0.00 0.00 82 L 7.12 4.40 0.00 2.10 1.71 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.28 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 0.00 0.00 0.00 84 I 7.87 4.49 2.11 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 1.23 0.96 0.77 0.00 0.00 85 S 8.68 4.45 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.53 0.00 2.26 2.05 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 87 F 8.27 3.98 0.00 1.52 2.58 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 88 H 7.86 4.44 0.00 3.30 3.49 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.61 4.02 0.00 1.71 1.88 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 2.16 2.13 0.00 90 H 7.58 4.78 0.00 3.22 3.23 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.64 4.54 0.26 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 92 E 8.75 5.04 0.00 1.72 1.70 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 2.11 1.83 0.00 93 V 8.94 4.47 2.18 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 1.06 0.00 0.00 0.98 0.00 0.00 94 V 8.46 5.10 2.21 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 1.18 0.00 0.00 0.93 0.00 0.00 95 F 8.88 5.02 0.00 3.18 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 96 T 8.73 4.93 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 1.23 0.00 0.00 97 A 8.95 4.53 0.68 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 0.00 0.00 98 N 9.05 5.06 0.00 2.71 2.53 0.00 0.00 6.83 7.59 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 *99 D 8.42 4.51 0.00 2.44 2.51 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 0.00 *100 S 8.33 4.34 0.00 3.59 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 *102 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *103 R 8.09 4.34 0.00 1.57 1.77 0.00 3.15 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *104 H 8.26 5.05 0.00 3.01 3.01 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.23 4.89 0.00 2.98 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 0.00 106 T 8.84 4.86 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 1.18 0.00 0.00 107 I 8.94 4.67 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.18 0.88 0.00 0.00 108 A 9.07 5.36 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 0.00 109 A 9.09 5.08 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 0.00 110 L 8.98 5.00 0.00 1.79 1.59 0.97 0.44 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 0.00 111 L 9.01 5.28 0.00 1.71 1.95 0.48 0.77 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 0.00 112 S 9.48 5.24 0.00 3.90 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 0.00 113 P 0.00 3.13 0.00 2.12 1.70 0.00 3.33 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.64 0.00 114 Y 7.80 4.59 0.00 2.81 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 0.00 115 S 8.01 4.74 0.00 3.87 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 0.00 116 Y 7.83 5.56 0.00 3.11 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 0.00 117 S 9.25 4.96 0.00 3.91 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 0.00 118 T 8.48 5.20 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 1.32 0.00 0.00 119 T 8.96 4.83 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 0.00 120 A 8.58 4.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.95 4.11 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 0.98 0.00 0.00 0.91 0.00 0.00 122 V 8.33 4.55 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 0.45 0.00 0.00 0.85 0.00 0.00 123 T 8.43 4.23 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.