NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6928 8.2827 118.2110 52.2974 39.0364 174.8241 3 Q 3.7142 8.4976 119.0737 58.3495 28.8847 176.6323 4 R 3.6785 8.6522 120.5236 59.6398 30.6616 177.6821 5 D 4.2055 8.7718 118.9971 57.0776 40.6283 178.9516 6 V 3.4137 7.9844 119.2453 66.0818 31.5296 178.2449 7 I 2.7807 7.1738 119.3910 63.9412 36.7807 178.4356 8 L 3.6406 7.5989 119.8705 57.4705 41.3209 179.1348 9 D 4.1644 7.8699 118.0410 57.4145 41.0924 177.9568 10 C 3.8722 7.7892 117.4451 62.6834 27.8982 175.8183 11 E 4.1420 8.0501 120.4149 59.4979 29.0629 179.3531 12 K 3.9241 7.9250 119.3353 59.5302 32.2139 178.9019 13 K 3.9613 8.1423 118.6780 59.2539 31.9699 179.0754 14 L 4.0230 8.3306 120.8306 58.3758 42.1279 179.1315 15 L 4.0057 8.3962 119.2995 57.9590 41.5347 179.6519 16 T 3.8596 8.2191 115.7499 66.5050 68.2933 176.5113 17 A 3.9541 8.1492 122.6881 55.1439 18.2754 179.7505 18 I 3.2799 7.7481 118.2705 64.5741 36.9933 178.5323 19 Q 4.0557 8.0722 118.9536 58.4288 28.8746 177.0002 20 N 4.8038 7.8332 114.6041 51.5737 39.2774 174.3096 21 N 4.1508 7.7617 116.6343 54.1415 37.1162 175.9786 22 D 4.5958 7.9967 118.1213 53.1431 39.8285 175.0977 23 V 3.6330 7.9081 124.5654 65.2985 31.8141 176.9959 24 E 3.9661 8.1673 118.2099 59.3468 29.2922 179.2873 25 S 4.2354 8.2088 114.8283 61.6415 62.9774 176.6484 26 L 3.9757 7.8869 121.6727 57.9086 41.0803 179.4082 27 E 3.9785 8.2753 117.9501 59.2801 29.4044 179.2007 28 V 3.8409 7.1532 115.9772 65.7084 31.9944 177.8516 29 L 4.3809 8.4074 118.9940 55.9320 41.5333 176.8699 30 L 4.6374 7.4187 118.9503 53.3325 43.0120 176.0421 31 H 4.1828 8.7868 123.8769 55.5946 30.5087 175.7390 32 D 4.3029 8.3024 125.6117 57.3154 40.7302 177.2406 33 D 4.8113 7.9937 116.2516 53.8145 41.0874 176.3166 34 L 4.9301 7.2279 119.1834 55.3761 41.6018 176.1777 35 L 4.8841 8.1394 118.7489 52.9639 45.5601 175.4760 36 F 5.7285 9.0482 121.0693 55.9004 42.8482 173.9999 37 I 4.9867 8.7491 123.5768 59.6794 39.4322 175.1004 38 I 4.5475 8.1911 119.6767 58.1636 40.2635 174.7928 39 P 4.2033 0.0000 0.0000 65.6393 31.1235 178.0637 40 S 4.1867 7.9319 110.6840 59.3339 63.1919 175.0640 41 G 3.9625 8.4236 110.3488 45.0402 0.0000 173.6454 42 E 4.2776 7.8055 119.7771 56.5777 30.9665 175.7888 43 T 4.9891 8.3750 118.9600 62.2157 70.2293 174.2159 44 V 4.5837 9.2452 126.8263 61.3035 34.5421 174.9750 45 T 4.6116 8.2913 117.0490 60.1930 71.2077 175.4635 46 K 3.8280 8.6147 122.5061 59.8063 32.0250 178.3072 47 E 3.9610 8.1748 118.0793 59.9772 29.5131 179.4392 48 T 3.8721 7.6666 115.5069 66.5362 68.4976 176.2814 49 D 4.3653 8.3200 119.8670 57.5984 41.3055 178.3411 50 I 3.9215 8.3126 120.5235 64.3913 37.0957 178.1460 51 A 3.9821 8.3053 121.4627 55.1260 17.9137 179.5685 52 A 3.7807 7.6745 118.0352 55.6114 18.5177 179.2302 53 Y 4.1679 7.6715 114.7732 61.3332 37.6947 178.9548 54 S 4.3467 8.4239 115.8317 61.2100 62.9881 176.4943 55 S 4.2424 7.9202 116.4415 59.4964 62.7230 175.6506 56 G 3.9433 7.6595 108.2604 45.5222 0.0000 174.0812 57 K 4.1423 7.8069 117.8020 56.7523 32.4227 176.5931 58 I 4.4149 7.4821 120.2217 59.4990 38.6000 175.3766 59 A 4.6618 9.0296 127.7975 50.1279 20.1190 172.9834 60 L 4.7017 8.2938 119.4713 54.4264 42.5059 176.8899 61 R 4.3342 9.1037 123.6329 58.3984 31.1614 177.1638 62 A 4.6608 7.8130 119.2236 50.3396 22.8608 175.4919 63 V 4.7236 8.6187 121.0817 61.0580 33.4200 173.6504 64 V 4.4356 8.9395 127.9286 60.2191 33.2888 172.7700 65 P 5.2302 0.0000 0.0000 62.4949 33.0892 174.9980 66 S 4.4399 8.8803 114.1403 57.6316 66.7996 173.5256 67 D 4.5910 8.7155 116.7101 55.1580 39.1910 173.5004 68 Y 4.3488 8.1121 114.5559 58.5276 39.0643 176.9363 69 I 4.6887 9.1574 124.1292 59.6632 40.6127 174.5550 70 I 5.2260 8.5462 126.8746 59.5292 40.9484 175.0768 71 R 4.6783 9.0892 124.1548 54.5037 33.7562 174.2424 72 I 4.5960 8.4838 124.3806 59.8915 39.0681 176.2167 73 I 4.5899 8.7899 128.2195 60.3915 39.2327 177.8229 74 H 3.8333 8.5415 125.7230 57.0530 27.9774 175.3591 75 D 4.8398 9.1554 128.0082 54.2303 39.8834 175.4687 76 T 5.5293 8.1395 116.2587 62.2679 72.7915 172.9982 77 V 4.9039 9.2890 124.8183 61.2035 34.8971 174.0810 78 V 4.8045 8.9836 128.3262 61.3657 33.5818 174.4482 79 V 4.9663 9.1290 127.7362 61.1536 34.7050 173.8211 80 S 5.4285 9.4121 122.9193 56.5146 65.0325 172.9796 81 V 4.5356 8.6588 125.3620 60.2034 35.1979 172.8930 82 N 5.0738 8.7967 122.4491 53.2109 40.3583 173.6932 83 I 5.0748 9.2098 126.8474 59.6467 40.9545 174.0032 84 E 5.0998 9.1915 127.0204 54.7796 31.7922 175.0825 85 I 5.1471 9.1125 125.2358 59.4437 40.9533 174.6585 86 K 5.0059 10.2439 125.3972 53.5262 35.8839 177.1627 87 G 3.8627 7.5517 111.2538 45.5601 0.0000 169.8843 88 E 5.1354 8.2492 119.6734 55.1195 31.4403 176.2423 89 Y 4.4313 9.6488 123.0655 57.1588 41.2361 175.8010 *91 E 4.3636 8.0966 116.1847 56.8527 31.7879 174.8003 92 H 5.0736 8.6075 117.4678 54.3465 32.0936 173.2112 93 T 4.8942 8.5611 118.8822 62.5200 69.6953 174.1359 94 L 4.7192 9.0928 127.4594 53.7752 43.7174 176.2819 95 D 5.5529 8.6412 121.4851 53.3947 42.1801 173.5089 96 N 4.9718 9.3828 119.2315 51.6726 44.4117 173.4931 97 T 4.9976 7.8841 116.2680 62.0025 71.7525 173.5504 98 F 5.2917 9.1301 122.5713 55.8505 44.1686 173.4792 99 R 5.0447 9.1431 122.4867 55.1614 31.8648 174.3572 100 Y 4.9572 9.1232 124.8180 56.3673 40.6138 174.3425 101 L 5.2737 8.7533 125.3187 53.5849 44.6986 175.3432 102 R 5.1735 9.2983 124.1151 54.5032 35.0258 174.1597 103 V 4.8766 8.8186 122.6788 61.1395 34.0970 174.1498 104 W 5.5237 9.4324 128.6253 55.3577 31.3887 175.4121 105 K 5.3387 9.7641 124.2903 54.8197 35.7843 174.8491 106 L 3.9878 7.7394 126.0483 53.9053 42.6587 176.9277 107 F 4.2936 8.9278 122.8569 56.0390 40.3611 174.5548 108 D 4.5020 9.5624 128.5408 55.1085 37.9690 175.0726 109 G 3.8577 7.8913 104.5259 45.1207 0.0000 171.5880 110 N 5.0611 7.8127 117.9589 51.0916 41.0752 174.0488 111 W 5.2043 8.9886 124.1505 56.5965 30.1784 175.9620 112 K 5.2313 9.9373 123.0829 54.6913 36.6569 175.6450 113 V 3.9035 8.6224 124.5366 62.7342 32.0545 176.2671 114 I 4.2845 8.7122 121.1573 61.1360 39.5614 174.9802 115 A 5.1089 6.6028 122.0225 52.2932 22.5010 175.2945 116 G 4.6197 8.4178 106.0619 46.8245 0.0000 171.8470 117 S 5.1774 8.3953 112.8515 57.4594 66.7266 173.2443 118 C 4.1376 8.3331 121.3304 57.6280 33.6214 173.0920 119 T 4.6437 8.4541 122.9575 61.4072 70.8847 173.4748 120 A 4.3342 8.7696 128.8733 51.8567 19.3260 177.2070 121 I 4.0107 7.9343 122.5665 61.2705 37.1156 175.7593 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 N 8.28 4.69 0.00 2.93 3.01 0.00 0.00 5.76 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.50 3.71 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 4 R 8.65 3.68 0.00 1.83 1.98 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 5 D 8.77 4.21 0.00 2.77 2.60 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 6 V 7.98 3.41 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 1.04 0.00 0.00 0.99 0.00 0.00 7 I 7.17 2.78 1.38 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.06 0.33 0.00 0.00 8 L 7.60 3.64 0.00 1.58 1.43 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.87 4.16 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 10 C 7.79 3.87 0.00 1.97 1.60 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 11 E 8.05 4.14 0.00 1.99 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 0.00 2.36 2.38 0.00 12 K 7.93 3.92 0.00 1.98 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 13 K 8.14 3.96 0.00 2.04 1.88 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 14 L 8.33 4.02 0.00 2.18 2.06 0.96 0.95 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 15 L 8.40 4.01 0.00 1.71 1.69 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.22 3.86 4.42 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 1.25 0.00 0.00 17 A 8.15 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.28 1.97 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 1.19 0.66 1.00 0.00 0.00 19 Q 8.07 4.06 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 20 N 7.83 4.80 0.00 2.85 2.81 0.00 0.00 7.21 7.98 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 21 N 7.76 4.15 0.00 2.82 2.94 0.00 0.00 6.82 7.92 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 22 D 8.00 4.60 0.00 2.67 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 23 V 7.91 3.63 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 1.13 0.00 0.00 0.99 0.00 0.00 24 E 8.17 3.97 0.00 2.25 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 2.40 2.46 0.00 25 S 8.21 4.24 0.00 4.06 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 26 L 7.89 3.98 0.00 1.80 1.69 0.35 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.28 3.98 0.00 2.09 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 2.48 2.47 0.00 28 V 7.15 3.84 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 0.89 0.00 0.00 0.95 0.00 0.00 29 L 8.41 4.38 0.00 1.81 1.91 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.42 4.64 0.00 1.71 1.55 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.79 4.18 0.00 3.00 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.30 4.30 0.00 2.51 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 33 D 7.99 4.81 0.00 2.67 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 34 L 7.23 4.93 0.00 1.24 1.55 -0.36 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.14 4.88 0.00 1.53 1.53 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.05 5.73 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.99 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.91 0.00 0.00 38 I 8.19 4.55 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.89 0.00 0.00 39 P 0.00 4.20 0.00 2.05 2.19 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 40 S 7.93 4.19 0.00 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 0.00 41 G 8.42 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 42 E 7.81 4.28 0.00 1.91 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 0.00 2.34 2.30 0.00 43 T 8.37 4.99 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 1.22 0.00 0.00 44 V 9.25 4.58 2.29 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 1.20 0.00 0.00 1.01 0.00 0.00 45 T 8.29 4.61 4.20 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 1.19 0.00 0.00 46 K 8.61 3.83 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 47 E 8.17 3.96 0.00 2.04 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 0.00 2.40 2.40 0.00 48 T 7.67 3.87 4.41 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 1.23 0.00 0.00 49 D 8.32 4.37 0.00 3.16 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 50 I 8.31 3.92 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 1.02 0.00 0.00 51 A 8.31 3.98 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 52 A 7.67 3.78 1.10 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 53 Y 7.67 4.17 0.00 3.05 3.01 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 54 S 8.42 4.35 0.00 3.97 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 55 S 7.92 4.24 0.00 3.99 4.11 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 0.00 0.00 0.00 0.00 56 G 7.66 3.94 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 0.00 57 K 7.81 4.14 0.00 1.89 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 1.28 7.81 58 I 7.48 4.41 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.16 1.02 0.00 0.00 59 A 9.03 4.66 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 60 L 8.29 4.70 0.00 1.63 1.69 1.06 1.19 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 61 R 9.10 4.33 0.00 1.81 2.00 0.00 3.14 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 62 A 7.81 4.66 1.21 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 0.00 0.00 63 V 8.62 4.72 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 0.76 0.00 0.00 0.96 0.00 0.00 64 V 8.94 4.44 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 1.02 0.00 0.00 0.95 0.00 0.00 65 P 0.00 5.23 0.00 2.10 2.01 0.00 3.89 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 2.06 2.06 0.00 66 S 8.88 4.44 0.00 3.87 3.94 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 67 D 8.72 4.59 0.00 2.77 2.70 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 68 Y 8.11 4.35 0.00 2.93 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 69 I 9.16 4.69 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.95 0.00 0.00 70 I 8.55 5.23 1.87 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 1.41 0.72 0.87 0.00 0.00 71 R 9.09 4.68 0.00 1.71 1.81 0.00 3.28 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 72 I 8.48 4.60 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.95 0.00 0.00 73 I 8.79 4.59 1.95 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 1.35 1.04 0.98 0.00 0.00 74 H 8.54 3.83 0.00 3.28 2.68 0.00 5.88 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 75 D 9.16 4.84 0.00 2.58 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 76 T 8.14 5.53 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 77 V 9.29 4.90 1.99 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 0.99 0.00 0.00 0.72 0.00 0.00 78 V 8.98 4.80 2.15 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 1.03 0.00 0.00 1.01 0.00 0.00 79 V 9.13 4.97 2.46 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 1.33 0.00 0.00 1.15 0.00 0.00 80 S 9.41 5.43 0.00 3.91 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 81 V 8.66 4.54 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 0.69 0.00 0.00 0.07 0.00 0.00 82 N 8.80 5.07 0.00 2.84 2.81 0.00 0.00 6.94 7.54 0.00 0.00 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 I 9.21 5.07 2.11 0.00 0.00 0.72 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 0.51 0.86 0.00 0.00 84 E 9.19 5.10 0.00 1.92 1.86 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 2.25 2.27 0.00 85 I 9.11 5.15 2.13 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 0.99 0.98 0.00 0.00 86 K 10.24 5.01 0.00 1.70 1.69 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.39 7.81 87 G 7.55 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 88 E 8.25 5.14 0.00 1.91 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 2.28 2.40 0.00 89 Y 9.65 4.43 0.00 2.95 2.90 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 *91 E 8.10 4.36 0.00 1.79 1.92 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 2.15 2.25 0.00 92 H 8.61 5.07 0.00 3.34 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.56 4.89 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 1.30 0.00 0.00 94 L 9.09 4.72 0.00 1.65 1.70 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.64 5.55 0.00 2.65 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 96 N 9.38 4.97 0.00 2.62 1.93 0.00 0.00 6.85 6.59 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 97 T 7.88 5.00 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 1.19 0.00 0.00 98 F 9.13 5.29 0.00 3.13 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 99 R 9.14 5.04 0.00 1.88 1.78 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 100 Y 9.12 4.96 0.00 2.92 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 0.00 101 L 8.75 5.27 0.00 1.79 1.54 1.04 0.86 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 0.00 102 R 9.30 5.17 0.00 1.86 1.64 0.00 2.90 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 103 V 8.82 4.88 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 1.18 0.00 0.00 1.01 0.00 0.00 104 W 9.43 5.52 0.00 3.35 3.40 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 0.00 105 K 9.76 5.34 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.53 1.20 7.81 106 L 7.74 3.99 0.00 0.89 0.98 0.47 -0.39 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 0.00 107 F 8.93 4.29 0.00 3.03 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 0.00 108 D 9.56 4.50 0.00 2.78 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 0.00 109 G 7.89 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 0.00 110 N 7.81 5.06 0.00 2.86 2.83 0.00 0.00 6.92 6.95 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 0.00 111 W 8.99 5.20 0.00 3.20 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 0.00 112 K 9.94 5.23 0.00 1.92 1.71 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.65 7.81 113 V 8.62 3.90 1.83 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 0.99 0.00 0.00 -0.51 0.00 0.00 114 I 8.71 4.28 1.88 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 1.38 0.63 1.09 0.00 0.00 115 A 6.60 5.11 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 0.00 116 G 8.42 4.62 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 0.00 117 S 8.40 5.18 0.00 3.90 3.94 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 0.00 118 C 8.33 4.14 0.00 2.04 2.38 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 0.00 119 T 8.45 4.64 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 1.19 0.00 0.00 120 A 8.77 4.33 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 0.00 121 I 7.93 4.01 1.74 0.00 0.00 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 1.04 0.63 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.