NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2656 8.3293 119.6979 56.0590 30.1374 174.0641 10 S 4.4739 8.1512 110.9284 57.9196 65.4208 172.7373 11 Q 4.7180 8.4591 122.2566 53.8664 31.4581 175.9879 12 F 4.7791 8.7137 124.5170 55.8071 42.8064 175.2807 13 F 4.9002 8.9949 121.6586 55.9853 41.3750 176.2126 14 I 3.6722 8.7077 118.1714 64.6942 37.1145 177.3128 15 E 3.9691 8.2082 118.0988 59.9917 29.6216 178.6663 16 H 4.8139 8.1382 115.4906 58.9168 28.9546 177.7897 17 I 3.9499 8.0698 121.7579 64.2828 36.6167 178.4190 18 L 4.1271 7.9015 119.2895 57.4218 41.2457 178.7433 19 Q 4.2323 8.1444 116.6659 57.1046 28.6395 177.5187 20 I 3.7663 7.7037 119.3432 62.1231 38.7205 175.9880 21 L 4.5244 7.7027 118.9063 52.8761 42.7111 175.1166 22 P 4.4226 0.0000 0.0000 64.7303 32.0743 176.5768 23 H 4.1124 8.2492 116.1242 56.3707 29.1128 174.3514 24 R 4.7612 8.1183 120.8528 54.1921 34.0966 173.5814 25 Y 4.3396 8.5762 119.7038 57.6752 39.1531 173.9249 26 P 3.9288 0.0000 0.0000 63.2823 31.9554 175.7757 27 M 4.4981 8.5385 115.7989 55.8369 33.3192 175.8285 28 L 4.3821 7.8605 121.6505 54.1314 41.4690 176.0031 29 L 4.7568 9.0215 129.1502 54.1676 42.2336 177.3545 30 V 4.3868 7.5479 117.8773 61.5500 33.7538 174.0962 31 D 4.5670 8.7217 128.1083 56.5792 41.6983 176.8300 32 R 4.4864 7.0041 115.7106 55.2099 34.0027 173.6466 33 I 4.7396 8.3719 124.5212 59.9105 39.3249 176.2707 34 T 4.4018 8.9122 117.5760 62.5254 70.1840 174.9820 35 E 4.8376 7.9615 121.1446 54.8905 34.3484 174.1698 36 L 4.8992 8.4763 125.2045 54.2293 45.3701 174.6691 37 Q 4.6046 9.1358 125.2473 53.6905 31.6512 174.6843 38 A 4.0010 8.8904 126.2888 53.9308 18.8207 176.3193 39 N 4.4912 9.2792 117.4690 54.1944 36.9423 174.3884 40 Q 4.5024 8.0139 115.0838 55.9108 31.7943 174.9930 41 K 5.0537 7.3461 114.0104 56.2719 36.3575 173.4501 42 I 5.2224 9.3103 120.6771 59.4136 42.1321 173.8849 43 V 4.9481 8.9237 127.2967 61.2567 34.4080 174.2574 44 A 5.3670 8.8827 128.6723 51.4907 23.5355 173.3907 45 Y 4.9847 8.5815 115.6977 56.3417 42.0538 173.6856 46 K 4.8493 8.8158 120.4296 54.7273 35.6845 175.0718 47 N 4.9577 9.9681 125.2703 53.1114 39.8940 174.7447 48 I 4.4964 8.4556 123.1238 60.0357 39.5823 174.6231 49 T 4.9187 9.4087 122.1878 59.8582 70.3017 174.7951 50 F 3.6935 8.9363 127.9163 61.0802 39.7810 176.4209 51 N 4.7555 7.5548 118.1480 53.5447 37.9444 174.2198 52 E 4.8490 7.9058 115.7792 53.8452 33.1225 176.9509 53 D 4.3035 8.8234 121.7082 57.6841 41.2680 178.9081 54 V 3.4756 7.6622 112.2827 64.5134 31.2267 177.9070 55 F 4.5151 7.3076 115.3481 59.3358 38.7344 176.8145 56 N 4.7004 8.4179 116.8580 55.0294 38.6428 175.6945 57 G 4.1427 8.1463 106.5255 45.2548 0.0000 171.8870 58 H 3.9813 7.6533 118.9485 53.7352 29.9148 171.4337 59 F 5.3667 8.7078 120.6708 52.8397 43.2600 172.9924 60 P 4.4739 0.0000 0.0000 64.4780 31.3293 177.3166 61 N 4.5131 9.2709 118.4434 53.7915 37.5937 174.5204 62 K 4.6022 8.0470 119.0072 53.4075 32.0827 172.2311 63 P 4.8736 0.0000 0.0000 63.2317 32.1860 177.3561 64 I 4.9513 8.9160 125.5549 59.0816 40.5612 175.2793 65 F 4.1552 9.5496 131.0548 57.5940 39.8747 173.3764 66 P 3.8757 0.0000 0.0000 62.3731 32.0008 177.5309 67 G 3.1668 8.3949 109.3383 47.9424 0.0000 176.4070 68 V 3.7981 7.5458 114.0692 63.9334 31.5438 178.2265 69 L 4.0455 7.4014 118.1649 56.8063 41.2807 179.5000 70 I 4.0979 7.6718 120.4601 64.5859 37.2414 178.3370 71 V 3.5925 8.0289 118.5712 65.9661 31.1695 177.5663 72 E 3.8192 8.1536 119.2390 59.0986 29.5124 178.9649 73 G 3.6614 8.0167 107.1606 47.4060 0.0000 175.5841 74 M 3.6580 8.0735 121.0211 57.9200 31.9792 178.7172 75 A 3.8367 7.7056 120.9203 55.0977 18.3758 179.7278 76 Q 3.8570 8.0993 116.9931 59.0402 28.7199 179.2025 77 S 4.1311 7.8333 116.3608 61.4923 62.8446 176.8593 78 G 3.8577 8.2870 108.5833 47.9048 0.0000 175.9128 79 G 3.6947 8.4223 108.1719 47.5318 0.0000 175.6183 80 F 3.9964 8.3146 123.0372 60.6318 39.3451 177.1164 81 L 3.9189 8.0587 119.9341 58.0774 42.1030 178.4949 82 A 2.5800 7.8943 120.9713 54.6389 18.1187 179.0304 83 F 3.7964 8.0256 118.9363 61.7979 39.3971 177.5731 84 T 4.0997 7.8199 110.5214 64.3459 68.0934 176.4197 85 S 4.0679 7.7067 117.2535 61.3034 62.8780 176.3010 86 L 3.6892 7.0936 120.2664 56.3862 41.3694 177.8851 87 W 4.7065 7.0320 113.7589 55.0663 31.4606 177.1832 88 G 3.9034 8.1168 109.3626 44.9599 0.0000 173.2406 89 F 4.7702 8.8322 119.7387 57.4313 37.9114 174.2004 90 D 4.6336 8.0000 124.4448 50.1307 41.6304 173.8885 91 P 4.2456 0.0000 0.0000 64.2512 31.1400 177.6689 92 E 3.8560 7.9256 116.7657 59.4692 30.0732 178.5880 93 I 3.6438 7.6734 119.6339 63.7359 36.9849 178.1075 94 A 3.3873 7.9557 122.0298 55.1157 17.9586 179.7428 95 K 3.9848 7.4399 114.8587 58.5405 32.2206 177.7046 96 T 4.4986 7.6404 108.7286 61.0767 69.9119 173.9157 97 K 5.0651 7.8734 120.7597 54.9686 35.4800 175.4284 98 I 4.5006 8.6665 122.2586 59.7267 41.4726 174.9128 99 V 4.7932 8.0176 123.3717 61.2111 31.9426 173.2681 100 Y 4.6232 8.2313 122.7441 57.4146 39.4400 174.1896 101 F 4.7608 9.0397 122.6355 56.8260 39.7513 175.5361 102 M 4.4995 9.2139 125.0478 57.6751 32.8819 176.6527 103 T 4.9063 7.7781 106.3929 60.3572 73.0543 172.7756 104 I 5.2174 8.1834 121.6156 60.1780 41.1919 174.2056 105 D 4.6973 9.1130 124.8360 52.0653 45.8588 174.9475 106 K 3.8494 8.2873 116.3815 57.3757 29.7128 175.0298 107 V 5.2092 7.3756 116.5747 59.7032 33.4198 176.4567 108 K 4.6018 8.2331 123.1313 54.3974 36.0984 174.7428 109 F 5.2474 8.8623 122.1514 56.2072 40.4766 175.1373 110 R 4.6095 9.2793 122.6553 57.0754 32.1825 177.0530 111 I 4.6953 7.6456 117.5668 58.3464 40.8076 173.2725 112 P 4.5556 0.0000 0.0000 63.0857 32.2034 175.4715 113 V 4.7223 8.5120 121.3721 61.7057 33.8743 174.5222 114 T 5.1883 8.7696 116.2466 58.8756 72.9866 171.3936 115 P 4.4437 0.0000 0.0000 64.5491 31.5400 176.9548 116 G 4.0445 9.2889 111.3458 45.1279 0.0000 173.4032 117 D 4.6495 8.0183 119.9906 53.5517 43.1057 175.9408 118 R 4.5592 8.3214 122.3531 54.6536 31.5564 174.8746 119 L 4.1997 8.4820 130.5856 54.2757 42.7828 174.7805 120 E 4.7869 8.9839 129.4049 54.9338 31.4109 174.1994 121 Y 4.9928 9.0160 126.0854 57.4809 39.8955 174.3411 122 H 5.1317 9.9090 121.8665 54.1659 31.4487 172.8036 123 L 5.5405 8.9308 123.4532 52.7807 45.8742 175.8174 124 E 5.2179 9.0963 119.0781 54.3866 33.6354 174.7019 125 V 4.1699 8.9055 122.3209 63.2959 31.4492 175.7881 126 L 4.5200 9.3514 128.8737 55.7136 43.0672 176.8996 127 K 4.2051 7.4808 116.2054 55.9180 35.4727 173.3570 128 H 4.6877 8.7085 126.0996 54.5183 32.5255 172.8125 129 K 4.2128 8.4608 125.9647 55.1493 35.5243 177.6140 130 G 3.7602 8.0204 115.8551 47.3069 0.0000 174.6591 131 M 4.4131 8.7443 126.5436 55.3511 32.6744 174.7224 132 I 4.8594 7.7083 121.7201 59.8062 39.0346 174.6632 133 W 5.0964 9.3474 127.4103 54.7591 32.1984 174.4392 134 Q 5.0358 9.7230 126.0492 54.4360 31.0306 174.3225 135 V 4.8905 9.0794 126.5379 61.4619 35.3479 174.2102 136 G 4.3942 8.6418 110.9562 44.6159 0.0000 172.9978 137 G 4.3650 7.1676 105.3214 46.1772 0.0000 171.1026 138 T 5.3123 8.2423 110.6120 60.1876 73.3099 172.7010 139 A 5.2697 9.4251 123.6510 50.3427 21.6824 175.6674 140 Q 4.9941 9.6100 121.1404 53.9960 33.5563 174.7228 141 V 4.5818 8.3583 122.0922 60.0524 34.2097 175.0469 142 D 4.5852 9.6803 129.2435 55.3804 39.2824 174.4537 143 G 3.9761 8.5122 105.7983 44.9328 0.0000 173.8411 144 K 4.4922 7.4938 119.1526 54.2951 33.9975 175.7687 145 V 4.2200 8.2820 122.9348 63.0003 31.8858 175.8490 146 V 4.4107 8.4375 120.1267 61.9042 33.6726 175.5001 147 A 5.5089 7.7465 119.3323 51.9311 22.2376 174.9109 148 E 5.1447 7.9369 116.6736 54.9172 33.7800 173.9512 149 A 4.8213 7.8906 119.2625 52.1935 23.5800 175.0362 150 E 5.0879 8.7679 118.8076 54.7292 33.0456 175.5165 151 L 5.4632 9.4554 121.8402 53.1855 47.0352 175.2626 152 K 5.0630 9.1017 121.7720 54.8853 35.3424 175.0298 153 A 4.9439 9.0658 128.5403 50.0961 23.0308 174.0632 154 M 5.1859 8.8836 118.5142 53.9019 35.5154 174.3156 155 I 4.7258 8.8204 127.0643 60.5097 38.7189 174.9022 156 A 4.7086 8.5693 127.2037 50.5016 23.5028 174.1772 157 E 4.5961 8.5534 118.2564 55.6828 30.3790 177.4398 158 R 3.9973 8.5127 128.0893 56.7071 31.5614 176.9720 *159 E 4.1631 8.4863 115.6082 56.0984 30.4784 172.9276 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 9 Q 8.33 4.27 0.00 1.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 10 S 8.15 4.47 0.00 3.89 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 11 Q 8.46 4.72 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.71 0.00 0.00 0.00 0.00 0.00 1.68 2.29 0.00 12 F 8.71 4.78 0.00 2.81 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 13 F 8.99 4.90 0.00 3.08 3.04 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 14 I 8.71 3.67 2.00 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 1.66 1.25 0.96 0.00 0.00 15 E 8.21 3.97 0.00 1.83 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 2.33 2.31 0.00 16 H 8.14 4.81 0.00 3.49 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.07 3.95 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.96 0.89 0.00 0.00 18 L 7.90 4.13 0.00 1.89 1.77 0.95 1.01 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 19 Q 8.14 4.23 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 20 I 7.70 3.77 2.07 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 0.23 0.00 0.00 21 L 7.70 4.52 0.00 1.78 1.65 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.42 0.00 2.11 2.10 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 23 H 8.25 4.11 0.00 3.10 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.12 4.76 0.00 1.80 1.87 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 25 Y 8.58 4.34 0.00 2.95 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 26 P 0.00 3.93 0.00 1.68 0.87 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 27 M 8.54 4.50 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 28 L 7.86 4.38 0.00 1.73 1.65 0.91 1.03 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 29 L 9.02 4.76 0.00 1.59 1.79 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.55 4.39 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 0.70 0.00 0.00 0.76 0.00 0.00 31 D 8.72 4.57 0.00 2.32 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 32 R 7.00 4.49 0.00 1.49 0.98 0.00 3.25 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00 33 I 8.37 4.74 1.89 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.70 0.98 0.00 0.00 34 T 8.91 4.40 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 1.35 0.00 0.00 35 E 7.96 4.84 0.00 2.00 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 2.32 2.33 0.00 36 L 8.48 4.90 0.00 1.87 1.77 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.14 4.60 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 38 A 8.89 4.00 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 39 N 9.28 4.49 0.00 2.87 2.96 0.00 0.00 6.77 7.24 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 40 Q 8.01 4.50 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 41 K 7.35 5.05 0.00 1.96 1.92 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 42 I 9.31 5.22 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.73 1.07 0.00 0.00 43 V 8.92 4.95 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 0.88 0.00 0.00 1.02 0.00 0.00 44 A 8.88 5.37 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 45 Y 8.58 4.98 0.00 2.91 2.89 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 46 K 8.82 4.85 0.00 2.10 1.60 0.00 1.92 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.28 1.41 7.81 47 N 9.97 4.96 0.00 2.67 2.77 0.00 0.00 6.87 7.72 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 48 I 8.46 4.50 1.89 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.96 0.99 0.00 0.00 49 T 9.41 4.92 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 1.40 0.00 0.00 50 F 8.94 3.69 0.00 2.86 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 51 N 7.55 4.76 0.00 2.91 2.87 0.00 0.00 7.01 7.53 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 52 E 7.91 4.85 0.00 2.24 1.81 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 2.40 2.61 0.00 53 D 8.82 4.30 0.00 2.83 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 54 V 7.66 3.48 1.58 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 0.47 0.00 0.00 0.20 0.00 0.00 55 F 7.31 4.52 0.00 2.79 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 56 N 8.42 4.70 0.00 2.78 2.89 0.00 0.00 6.66 7.28 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 57 G 8.15 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 0.00 0.00 0.00 0.00 58 H 7.65 3.98 0.00 2.69 2.71 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.71 5.37 0.00 3.11 2.84 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 60 P 0.00 4.47 0.00 2.12 2.09 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 61 N 9.27 4.51 0.00 2.94 3.03 0.00 0.00 6.77 7.61 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 62 K 8.05 4.60 0.00 1.84 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 63 P 0.00 4.87 0.00 1.78 2.16 0.00 3.84 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 2.00 2.07 0.00 64 I 8.92 4.95 2.07 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 1.27 1.10 1.06 0.00 0.00 65 F 9.55 4.16 0.00 3.15 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 66 P 0.00 3.88 0.00 1.62 1.43 0.00 2.31 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 67 G 8.39 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 0.00 0.00 0.00 68 V 7.55 3.80 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 0.84 0.00 0.00 0.77 0.00 0.00 69 L 7.40 4.05 0.00 1.02 1.36 0.30 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.67 4.10 2.37 0.00 0.00 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 1.83 1.22 1.18 0.00 0.00 71 V 8.03 3.59 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 1.00 0.00 0.00 1.02 0.00 0.00 72 E 8.15 3.82 0.00 2.11 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 2.21 2.23 0.00 73 G 8.02 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 74 M 8.07 3.66 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.81 0.00 75 A 7.71 3.84 0.51 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 0.00 0.00 76 Q 8.10 3.86 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 77 S 7.83 4.13 0.00 3.92 3.88 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 78 G 8.29 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 79 G 8.42 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 0.00 0.00 0.00 80 F 8.31 4.00 0.00 3.12 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 81 L 8.06 3.92 0.00 1.87 1.79 0.98 0.83 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 82 A 7.89 2.58 0.16 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 83 F 8.03 3.80 0.00 3.13 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 84 T 7.82 4.10 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 0.57 0.00 0.00 85 S 7.71 4.07 0.00 3.92 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 L 7.09 3.69 0.00 0.65 0.13 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.03 4.71 0.00 2.81 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 88 G 8.12 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 89 F 8.83 4.77 0.00 3.31 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 90 D 8.00 4.63 0.00 2.90 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 91 P 0.00 4.25 0.00 2.05 1.94 0.00 3.67 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.20 0.00 92 E 7.93 3.86 0.00 1.90 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 0.00 2.22 2.34 0.00 93 I 7.67 3.64 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 -0.12 0.00 0.00 94 A 7.96 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.44 3.98 0.00 1.71 1.81 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.58 7.81 96 T 7.64 4.50 4.13 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 1.11 0.00 0.00 97 K 7.87 5.07 0.00 1.62 1.74 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.13 7.81 98 I 8.67 4.50 1.34 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 1.04 0.78 0.52 0.00 0.00 99 V 8.02 4.79 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 0.52 0.00 0.00 0.89 0.00 0.00 100 Y 8.23 4.62 0.00 2.97 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 0.00 101 F 9.04 4.76 0.00 2.98 3.10 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 0.00 102 M 9.21 4.50 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 103 T 7.78 4.91 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 1.25 0.00 0.00 104 I 8.18 5.22 1.91 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 1.41 0.69 0.93 0.00 0.00 105 D 9.11 4.70 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 0.00 106 K 8.29 3.85 0.00 1.85 1.79 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 107 V 7.38 5.21 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 0.83 0.00 0.00 0.38 0.00 0.00 108 K 8.23 4.60 0.00 1.64 1.65 0.00 1.46 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 109 F 8.86 5.25 0.00 2.94 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 0.00 110 R 9.28 4.61 0.00 1.81 1.99 0.00 3.27 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 111 I 7.65 4.70 1.93 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 1.51 0.65 0.95 0.00 0.00 112 P 0.00 4.56 0.00 2.16 2.13 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 113 V 8.51 4.72 2.32 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 1.09 0.00 0.00 1.06 0.00 0.00 114 T 8.77 5.19 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 1.33 0.00 0.00 115 P 0.00 4.44 0.00 1.97 2.06 0.00 3.53 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.08 0.00 116 G 9.29 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 0.00 117 D 8.02 4.65 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 118 R 8.32 4.56 0.00 1.77 1.70 0.00 2.91 0.00 0.00 3.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 119 L 8.48 4.20 0.00 1.61 1.39 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.98 4.79 0.00 1.96 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 2.13 2.24 0.00 121 Y 9.02 4.99 0.00 3.00 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 0.00 122 H 9.91 5.13 0.00 3.17 3.26 0.00 5.56 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 0.00 123 L 8.93 5.54 0.00 1.63 1.57 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.10 5.22 0.00 2.12 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 0.00 2.35 2.28 0.00 125 V 8.91 4.17 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 0.85 0.00 0.00 1.21 0.00 0.00 126 L 9.35 4.52 0.00 1.68 1.72 0.96 0.85 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 0.00 127 K 7.48 4.21 0.00 1.76 1.56 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.25 7.81 128 H 8.71 4.69 0.00 2.27 2.61 0.00 5.74 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 0.00 129 K 8.46 4.21 0.00 1.68 1.56 0.00 1.75 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.41 7.81 130 G 8.02 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 0.00 131 M 8.74 4.41 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 132 I 7.71 4.86 1.85 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 1.24 1.24 0.94 0.00 0.00 133 W 9.35 5.10 0.00 3.11 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 0.00 134 Q 9.72 5.04 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 135 V 9.08 4.89 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 1.08 0.00 0.00 1.08 0.00 0.00 136 G 8.64 4.39 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 0.00 137 G 7.17 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 0.00 138 T 8.24 5.31 4.35 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 1.22 0.00 0.00 139 A 9.43 5.27 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 0.00 140 Q 9.61 4.99 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 141 V 8.36 4.58 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 1.11 0.00 0.00 0.96 0.00 0.00 142 D 9.68 4.59 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 0.00 143 G 8.51 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 0.00 144 K 7.49 4.49 0.00 1.95 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 145 V 8.28 4.22 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 0.80 0.00 0.00 0.92 0.00 0.00 146 V 8.44 4.41 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 0.66 0.00 0.00 1.06 0.00 0.00 147 A 7.75 5.51 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 0.00 148 E 7.94 5.14 0.00 2.06 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 2.16 2.39 0.00 149 A 7.89 4.82 1.17 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 0.00 0.00 150 E 8.77 5.09 0.00 2.07 1.85 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 2.24 2.26 0.00 151 L 9.46 5.46 0.00 1.76 1.84 0.98 0.85 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 0.00 152 K 9.10 5.06 0.00 1.86 1.66 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.55 7.81 153 A 9.07 4.94 0.18 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 0.00 0.00 154 M 8.88 5.19 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 155 I 8.82 4.73 2.03 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 1.14 0.00 0.00 156 A 8.57 4.71 0.95 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 0.00 157 E 8.55 4.60 0.00 1.87 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 2.28 2.24 0.00 158 R 8.51 4.00 0.00 1.67 1.81 0.00 3.34 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 *159 E 8.49 4.16 0.00 1.80 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 2.16 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.