NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9180 8.3549 109.7311 45.1719 0.0000 174.7856 -1 S 4.1683 7.9823 116.1914 58.5541 63.8364 172.2268 0 H 4.4754 7.9910 114.4454 54.9370 31.5059 171.6231 0 F 4.3654 7.8710 116.5454 57.6371 42.1059 173.3231 3 S 5.3961 8.6088 114.5067 57.2019 66.1817 173.0813 4 I 4.8840 8.9612 113.8301 59.6234 41.0435 174.1989 5 T 5.3423 8.6032 119.4424 62.0536 71.9949 173.6205 6 V 4.6043 8.8427 118.0665 59.5069 35.6725 174.3856 7 R 5.0625 8.6452 123.7999 54.9229 31.9111 174.1952 8 D 5.2628 9.0065 125.8078 53.6594 45.1629 173.2201 9 H 5.1479 8.5063 111.7894 55.1004 31.1331 173.3380 10 I 4.7649 8.6339 113.4471 58.6969 40.9123 173.9335 *12 I 4.3607 8.3218 113.5322 61.2769 39.4862 174.4156 13 A 5.1811 8.2247 124.1776 50.7470 22.0213 175.0966 14 H 4.9436 8.4853 114.5237 55.1969 32.2683 172.7262 15 S 4.5958 8.9150 112.8688 56.5559 66.2678 173.2694 16 F 5.0151 8.4304 119.1001 55.7025 41.9456 174.7475 17 R 4.7550 10.2418 122.6644 54.6812 31.4146 174.1362 18 G 3.8975 9.0465 110.2358 43.5012 0.0000 173.8355 19 D 4.4346 8.8456 124.3901 56.7730 41.5648 178.4736 20 V 3.4958 7.7541 117.7872 64.4295 31.2481 176.8948 21 F 4.5329 8.2927 117.7801 57.1979 40.6003 177.2604 22 G 3.8441 7.8569 110.9106 45.9048 0.0000 176.1458 23 P 4.3088 0.0000 0.0000 64.7025 31.3982 177.2013 24 A 4.1560 8.2392 121.2942 52.9779 18.5446 179.0694 25 Q 4.9614 7.9268 114.8570 57.8654 29.0299 177.3393 26 R 4.1745 7.6123 116.5931 54.9793 30.8085 176.0747 27 L 4.1563 8.3401 122.9371 55.6896 42.9124 175.6832 28 H 4.6830 8.9584 124.1723 54.9821 30.2494 170.9815 29 G 4.4997 8.3128 104.9237 46.5746 0.0000 171.7998 30 A 4.4961 8.2725 119.3550 51.1184 22.3243 176.1911 31 T 4.3952 8.1164 116.9301 62.1552 70.7918 173.6801 32 F 5.4161 8.7374 125.8280 55.6492 41.3403 175.1195 33 L 4.6242 9.0234 125.1869 54.5856 42.9997 176.2676 34 V 4.6870 9.1973 124.1555 61.4207 33.8741 173.7609 35 D 5.4343 9.3919 128.9344 52.5460 43.3730 175.2400 36 A 4.8622 9.0465 126.2382 50.4561 21.4218 175.1088 37 T 5.0210 8.8556 120.1989 61.9263 71.1596 173.6385 38 F 5.2846 9.4820 125.8169 55.5426 41.8034 174.7916 39 R 6.0300 8.9291 119.9293 54.8043 32.4774 174.6818 40 R 4.9374 8.3917 115.7039 55.4671 31.7591 174.8437 41 E 4.3369 9.0048 119.8525 58.5677 29.9929 177.2824 42 Q 4.7213 7.7650 117.6067 53.7164 32.2250 174.5385 43 L 3.8172 7.8821 124.0729 54.4007 42.4406 177.0911 44 D 4.6737 8.5077 121.5434 52.5050 40.9948 176.8134 45 E 3.9545 8.5741 117.3853 59.0677 29.4112 177.6076 46 D 4.5358 8.3510 117.1876 53.8001 41.2204 175.7825 47 N 4.2339 8.2969 117.1783 54.4703 37.6175 173.2950 48 I 4.6256 7.4293 107.4588 58.3066 41.1768 176.2660 49 V 3.5524 8.3675 120.4056 65.3958 31.6089 176.4113 50 V 4.2260 7.1337 115.2626 58.7811 33.7129 172.9404 51 D 4.2162 8.5673 120.7912 54.9531 41.6823 177.1069 52 I 3.7013 8.3608 128.0821 63.8433 38.1115 177.8451 53 G 3.5499 8.0815 106.4009 47.7944 0.0000 175.6204 54 L 4.0156 8.1733 121.3611 57.1249 41.4832 179.4714 55 A 3.7968 8.0820 121.2841 55.3039 18.2332 179.8456 56 T 3.8514 8.1078 108.5815 64.8081 68.7966 176.4353 57 Q 3.9477 8.1307 122.4673 59.2129 29.0874 178.4645 58 E 3.9889 8.4503 119.6607 59.0879 29.4208 179.0116 59 L 4.1143 8.3950 120.9309 58.1852 42.2078 179.2458 60 G 3.6598 8.5188 105.7758 47.0823 0.0000 175.5395 61 A 4.0209 8.3317 123.2862 54.8208 18.2086 179.7769 62 V 3.5975 7.6794 115.5272 66.5378 31.9081 178.5614 63 V 3.9175 8.2060 112.1534 63.9890 30.8051 178.7674 64 G 3.6611 8.2678 105.6943 47.7468 0.0000 175.3650 65 A 4.1948 7.6813 120.1296 53.8600 18.4399 178.5242 66 L 4.5213 7.7992 116.0538 54.4765 43.3037 176.6922 67 N 4.3479 7.4242 116.9705 54.4686 39.7042 173.8553 68 Y 3.6716 8.0003 118.9398 59.2631 35.7391 170.4912 69 R 4.6465 7.4355 115.4912 54.3192 34.7792 174.7894 70 N 4.9890 8.5290 118.9297 52.5674 38.8207 175.8950 71 L 4.3581 8.9744 127.7762 57.2087 42.0195 179.5053 72 D 4.4778 8.2840 118.3094 57.1108 40.8006 177.4063 73 N 4.5102 8.0397 115.2808 54.6508 39.2812 175.0639 74 E 4.0182 8.0155 120.6040 55.2171 30.2505 175.2639 75 P 4.2548 0.0000 0.0000 65.9062 31.5998 178.3545 76 D 4.2997 8.6561 116.9326 56.7206 40.9004 177.2708 77 F 5.0395 7.7482 115.5909 56.8582 39.3258 175.2938 78 A 4.1897 7.7200 125.2905 53.6977 18.3735 178.7479 79 G 3.9372 9.0643 110.6668 45.2024 0.0000 173.1448 80 V 4.1356 7.3135 119.2581 60.4294 33.4696 174.7707 81 N 4.4408 8.4859 125.1704 53.5260 39.1213 176.2883 82 T 4.2910 8.3198 118.5369 60.5852 68.1898 175.0107 83 S 4.4084 7.4840 118.6006 58.9358 65.6898 174.9885 84 T 3.5220 8.6003 119.6362 66.9224 68.0362 176.5545 85 E 3.9572 8.1102 118.8112 59.2779 29.6417 178.7716 86 F 4.0115 8.0679 121.1272 61.1056 39.4721 177.2149 87 L 3.6377 8.1349 118.5096 57.3141 41.2353 179.2014 88 A 3.8590 7.8431 120.9646 55.1178 18.2303 179.6488 89 K 3.2775 7.3466 117.9308 59.0608 32.0533 179.0956 90 V 3.3272 7.0712 118.5679 66.1526 31.3174 178.1926 91 I 3.6926 7.7576 119.1733 64.1546 36.8402 178.2337 92 A 3.9717 8.0936 121.7335 55.4044 18.2690 179.4911 93 D 4.3209 8.4624 117.7611 57.5648 40.7712 179.2852 94 R 4.1428 8.0518 118.6895 59.1199 29.9714 179.0545 95 L 4.0345 8.2482 118.8444 57.6909 41.5454 179.3112 96 A 3.9283 8.2685 120.8837 55.2610 18.4320 179.3084 97 E 3.9595 8.2593 116.9710 59.9478 29.4821 180.0414 98 R 3.9824 7.8034 117.6231 58.9477 30.0658 179.1818 99 V 3.5775 8.0266 118.3098 66.5642 31.3798 177.9758 100 H 4.3923 8.2877 114.3303 58.1697 28.5997 177.0355 101 K 4.3536 7.8783 118.0884 56.3475 32.5191 177.6776 102 G 3.8923 8.2315 108.4426 45.4014 0.0000 175.2859 103 A 4.1249 8.1435 122.8998 53.8827 18.4845 178.9317 104 L 4.4477 8.0022 114.4481 54.2691 42.1242 177.3113 105 G 4.0431 7.9002 105.2897 45.5152 0.0000 175.2368 106 E 4.0800 8.7441 119.4287 59.0639 29.4152 179.8039 107 G 3.7035 8.1918 105.2550 47.8688 0.0000 175.2144 108 A 4.0880 7.8585 122.2017 54.4316 18.0946 179.7089 109 R 4.1182 7.7713 115.7599 58.7501 30.1619 178.3471 110 G 3.8364 7.9919 103.4237 44.3151 0.0000 174.0377 111 L 4.2287 7.3090 121.3967 54.9951 42.4990 177.1408 112 A 4.2346 9.2097 124.9246 54.6739 20.0962 177.1857 113 G 4.2240 7.6513 100.6141 46.1999 0.0000 172.2030 114 L 5.2408 8.4403 118.8155 54.4944 44.3358 175.3530 115 T 4.9718 8.7099 116.5092 61.7709 72.6500 172.9927 116 V 4.7867 8.7721 125.1368 61.3573 34.7199 174.2003 117 T 5.1002 8.9322 124.1287 61.7622 71.6816 172.7202 118 L 5.2828 9.0177 126.7665 53.3237 44.5848 175.0726 119 H 5.2718 9.3844 121.5972 54.4444 30.0084 175.1781 120 E 4.4469 9.4138 124.4153 56.9088 30.1922 175.2819 121 S 4.6638 7.6065 110.5085 58.1670 65.0532 173.8441 122 H 4.5692 9.1547 114.5650 57.5366 28.5827 175.9293 123 V 4.5862 7.9596 111.4120 60.7655 33.2992 175.1374 124 A 4.5598 8.0610 123.2303 50.4770 21.9830 175.5276 125 W 5.6396 7.8979 117.8518 55.2826 31.2559 173.4719 126 A 4.9621 9.1376 120.5416 50.5900 22.4411 175.1324 127 S 5.2031 8.5231 112.4454 57.0115 66.8255 172.6479 128 Y 4.8080 9.1862 121.7255 55.8754 41.8422 173.3743 129 E 4.9545 8.2380 127.1297 54.2940 32.1236 174.8023 130 R 4.5987 8.6066 121.5804 54.4255 33.4814 174.2309 131 A 4.6862 8.4738 121.5096 51.6297 19.8195 177.7478 132 L 4.3584 8.2850 118.3472 54.9890 42.2211 176.9195 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 G 8.35 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 -1 S 7.98 4.17 0.00 3.82 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 H 7.99 4.48 0.00 3.06 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 7.87 4.37 0.00 2.91 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 3 S 8.61 5.40 0.00 3.97 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 4 I 8.96 4.88 1.94 0.00 0.00 1.00 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 1.21 0.97 0.00 0.00 5 T 8.60 5.34 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 1.25 0.00 0.00 6 V 8.84 4.60 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 0.81 0.00 0.00 1.17 0.00 0.00 7 R 8.65 5.06 0.00 1.88 1.79 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 D 9.01 5.26 0.00 2.73 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 9 H 8.51 5.15 0.00 3.33 3.20 0.00 5.52 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 10 I 8.63 4.76 1.90 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 1.07 1.69 0.96 0.00 0.00 *12 I 8.32 4.36 1.93 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.30 0.98 0.00 0.00 13 A 8.22 5.18 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 14 H 8.49 4.94 0.00 3.04 3.24 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.91 4.60 0.00 3.93 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 16 F 8.43 5.02 0.00 2.45 1.45 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 0.00 0.00 0.00 0.00 17 R 10.24 4.76 0.00 1.71 1.84 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 18 G 9.05 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 19 D 8.85 4.43 0.00 2.78 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 20 V 7.75 3.50 1.82 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 -0.18 0.00 0.00 0.60 0.00 0.00 21 F 8.29 4.53 0.00 3.38 3.26 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 22 G 7.86 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 23 P 0.00 4.31 0.00 2.23 2.33 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 24 A 8.24 4.16 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 0.00 0.00 25 Q 7.93 4.96 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.88 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 26 R 7.61 4.17 0.00 1.90 1.86 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 27 L 8.34 4.16 0.00 1.57 1.58 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.96 4.68 0.00 3.24 3.27 0.00 5.33 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.31 4.50 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 0.00 30 A 8.27 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.12 4.40 4.18 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 1.26 0.00 0.00 32 F 8.74 5.42 0.00 2.99 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 33 L 9.02 4.62 0.00 1.67 1.60 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.20 4.69 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 1.05 0.00 0.00 1.03 0.00 0.00 35 D 9.39 5.43 0.00 2.60 2.56 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 36 A 9.05 4.86 1.07 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 0.00 0.00 37 T 8.86 5.02 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 1.25 0.00 0.00 38 F 9.48 5.28 0.00 2.90 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 39 R 8.93 6.03 0.00 1.98 2.03 0.00 2.78 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 40 R 8.39 4.94 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 41 E 9.00 4.34 0.00 2.05 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 2.50 2.34 0.00 42 Q 7.76 4.72 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 43 L 7.88 3.82 0.00 1.38 1.30 0.72 0.21 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 44 D 8.51 4.67 0.00 2.83 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 45 E 8.57 3.95 0.00 1.95 2.03 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 2.29 2.26 0.00 46 D 8.35 4.54 0.00 2.74 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 47 N 8.30 4.23 0.00 2.80 2.90 0.00 0.00 6.88 7.97 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 48 I 7.43 4.63 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.17 0.86 0.00 0.00 49 V 8.37 3.55 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 0.97 0.00 0.00 0.97 0.00 0.00 50 V 7.13 4.23 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 0.27 0.00 0.00 0.62 0.00 0.00 51 D 8.57 4.22 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 52 I 8.36 3.70 1.84 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 1.57 1.26 0.89 0.00 0.00 53 G 8.08 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.17 4.02 0.00 1.78 1.66 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.08 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.11 3.85 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 1.29 0.00 0.00 57 Q 8.13 3.95 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 58 E 8.45 3.99 0.00 2.10 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 0.00 2.49 2.45 0.00 59 L 8.39 4.11 0.00 1.93 1.81 0.96 1.38 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 60 G 8.52 3.66 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 0.00 0.00 0.00 61 A 8.33 4.02 1.38 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 0.00 0.00 62 V 7.68 3.60 2.25 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 0.89 0.00 0.00 1.04 0.00 0.00 63 V 8.21 3.92 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 0.79 0.00 0.00 1.02 0.00 0.00 64 G 8.27 3.66 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 0.00 0.00 0.00 65 A 7.68 4.19 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 66 L 7.80 4.52 0.00 1.81 1.81 0.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.42 4.35 0.00 2.94 2.77 0.00 0.00 7.11 7.44 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 68 Y 8.00 3.67 0.00 3.18 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 69 R 7.44 4.65 0.00 1.99 1.81 0.00 3.28 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 70 N 8.53 4.99 0.00 2.73 2.73 0.00 0.00 6.98 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 71 L 8.97 4.36 0.00 1.79 1.92 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.28 4.48 0.00 2.80 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 73 N 8.04 4.51 0.00 2.88 2.88 0.00 0.00 6.95 7.62 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 74 E 8.02 4.02 0.00 2.09 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 0.00 1.51 1.78 0.00 75 P 0.00 4.25 0.00 2.15 2.07 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 76 D 8.66 4.30 0.00 2.00 2.43 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 77 F 7.75 5.04 0.00 3.15 2.94 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 78 A 7.72 4.19 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 79 G 9.06 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 80 V 7.31 4.14 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 -0.26 0.00 0.00 0.95 0.00 0.00 81 N 8.49 4.44 0.00 2.60 2.50 0.00 0.00 7.10 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 82 T 8.32 4.29 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 0.87 0.00 0.00 83 S 7.48 4.41 0.00 4.14 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 84 T 8.60 3.52 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 1.16 0.00 0.00 85 E 8.11 3.96 0.00 2.17 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 0.00 2.38 2.32 0.00 86 F 8.07 4.01 0.00 3.12 3.17 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 87 L 8.13 3.64 0.00 1.35 1.42 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.84 3.86 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 89 K 7.35 3.28 0.00 0.79 1.26 0.00 0.93 0.00 0.00 1.14 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.94 0.35 7.81 90 V 7.07 3.33 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 1.06 0.00 0.00 0.28 0.00 0.00 91 I 7.76 3.69 1.80 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 1.44 0.42 0.89 0.00 0.00 92 A 8.09 3.97 1.52 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 0.00 0.00 93 D 8.46 4.32 0.00 2.81 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 94 R 8.05 4.14 0.00 1.88 1.99 0.00 3.16 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 95 L 8.25 4.03 0.00 1.87 1.81 0.89 0.93 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 96 A 8.27 3.93 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 97 E 8.26 3.96 0.00 2.25 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 2.37 2.61 0.00 98 R 7.80 3.98 0.00 2.01 2.00 0.00 3.17 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 99 V 8.03 3.58 2.16 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 1.06 0.00 0.00 1.11 0.00 0.00 100 H 8.29 4.39 0.00 3.29 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.88 4.35 0.00 1.78 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 102 G 8.23 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 0.00 103 A 8.14 4.12 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 0.00 104 L 8.00 4.45 0.00 1.54 1.53 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.90 4.04 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 0.00 0.00 0.00 106 E 8.74 4.08 0.00 1.98 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 2.39 2.31 0.00 107 G 8.19 3.70 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 0.00 0.00 0.00 108 A 7.86 4.09 1.33 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 0.00 0.00 0.00 109 R 7.77 4.12 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 110 G 7.99 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 0.00 111 L 7.31 4.23 0.00 1.79 1.71 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.21 4.23 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 0.00 113 G 7.65 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 0.00 114 L 8.44 5.24 0.00 1.52 1.54 0.89 0.85 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 0.00 115 T 8.71 4.97 4.16 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 1.22 0.00 0.00 116 V 8.77 4.79 2.23 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 0.99 0.00 0.00 0.88 0.00 0.00 117 T 8.93 5.10 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 1.26 0.00 0.00 118 L 9.02 5.28 0.00 1.46 1.44 0.83 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.38 5.27 0.00 3.10 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.41 4.45 0.00 2.50 2.26 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 2.40 2.33 0.00 121 S 7.61 4.66 0.00 4.14 3.93 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 0.00 122 H 9.15 4.57 0.00 3.35 3.47 0.00 5.47 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 0.00 123 V 7.96 4.59 2.07 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 0.51 0.00 0.00 0.90 0.00 0.00 124 A 8.06 4.56 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 0.00 125 W 7.90 5.64 0.00 3.29 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 0.00 126 A 9.14 4.96 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 0.00 127 S 8.52 5.20 0.00 3.92 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 0.00 128 Y 9.19 4.81 0.00 2.91 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 0.00 129 E 8.24 4.95 0.00 1.84 1.57 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 2.01 2.12 0.00 130 R 8.61 4.60 0.00 1.81 1.65 0.00 3.14 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 131 A 8.47 4.69 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 0.00 132 L 8.29 4.36 0.00 1.82 1.61 1.03 0.67 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 * Residues marked with a * may have inaccurate shift predictions.