NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3335 8.1233 123.5959 53.0829 20.3557 180.5212 15 W 3.7066 7.0294 112.7179 58.0545 30.5710 176.7398 16 L 3.5941 8.6796 118.8562 57.6879 42.2821 179.1254 17 L 3.7693 7.5038 118.7059 57.9569 41.4041 179.4069 18 M 4.0704 7.8519 117.6205 57.7957 32.0877 178.3127 19 A 3.4691 8.1349 120.8039 54.5661 18.6137 179.6162 20 F 4.5397 8.8396 117.3748 60.5562 38.9559 177.5429 21 T 4.1706 7.6958 110.5064 64.0628 67.0464 176.2705 22 A 3.7674 8.6655 124.3331 54.5060 18.2567 179.0809 23 L 4.1837 7.8454 116.2385 57.2985 41.4941 179.9996 24 A 3.7154 7.7542 118.5487 54.0468 18.1982 178.7617 25 L 4.4955 7.2819 116.5321 55.8438 43.2557 178.2873 26 E 4.2343 9.8315 118.4299 59.8372 29.4014 179.5429 27 L 4.0961 8.9375 119.4101 57.8081 41.7562 179.1958 28 T 3.8628 7.5664 113.3617 67.4914 68.6752 175.4617 29 A 4.1987 8.4015 122.9459 54.8926 17.3505 179.2220 30 L 3.9837 8.8859 116.7968 57.1891 41.8013 181.1230 31 W 3.9504 8.0584 118.9628 58.7479 28.7775 177.8677 32 F 5.0041 7.6458 115.5566 57.9387 38.8622 178.0566 33 Q 4.1143 8.2266 119.3016 59.3278 28.2922 179.0646 34 H 4.7038 6.9824 111.9230 57.9783 29.3778 177.6414 35 V 3.9511 7.8196 118.7062 65.4930 31.5661 175.9255 36 M 4.5269 9.3083 118.3777 55.5452 33.5104 179.5164 37 L 3.6780 8.6091 121.9318 55.5815 40.7934 177.8365 38 L 4.6552 8.6104 116.9705 54.6676 44.6049 174.4776 39 K 4.2234 8.0185 120.6320 55.4717 33.1654 175.0720 40 P 4.9936 0.0000 0.0000 62.4682 32.3767 175.5647 41 C 4.4923 7.7029 114.0541 56.3706 31.9070 173.4416 42 V 3.9241 8.1347 121.8987 64.4955 32.8194 177.6645 43 L 3.9974 7.7907 117.3423 57.4707 41.2302 178.3918 44 C 4.0812 8.1521 117.3511 62.6281 27.9671 175.4258 45 I 3.5833 7.5357 113.5628 64.6456 37.0283 177.2931 46 Y 4.1267 7.1542 118.3939 60.9848 37.6164 178.9392 47 E 4.0179 8.6708 119.5215 59.2057 29.6487 179.0896 48 R 4.2743 9.5755 117.1034 57.8278 29.8587 178.1282 49 V 4.0888 8.0225 117.8032 63.9243 31.8110 176.8653 50 A 4.3536 7.7940 118.4353 54.5218 18.6817 178.0203 51 L 4.3217 8.2330 118.5038 56.7660 41.5924 177.7290 52 F 4.5527 9.1193 121.0843 58.7929 39.3975 176.7041 53 G 4.1428 7.7629 104.4848 44.5107 0.0000 174.1202 54 V 4.2684 8.5578 120.3934 64.2055 34.2842 177.7355 55 L 3.7502 7.9208 119.1322 57.6505 41.6797 179.4157 56 G 3.5852 7.9041 104.9439 47.4550 0.0000 173.1442 57 A 4.7610 7.1882 123.2243 51.9733 19.5591 176.7824 58 A 4.7215 8.0987 122.5851 54.9859 21.9161 178.5432 59 L 3.8742 7.9643 115.2160 57.9958 41.5881 179.6854 60 I 4.5711 7.3385 116.4849 61.6034 37.0461 177.3556 61 G 3.9033 7.6222 108.7297 46.4968 0.0000 175.1714 62 A 4.5324 7.5759 120.5722 52.1057 23.2505 177.2699 63 I 3.5710 8.1275 115.5424 62.9342 37.2281 177.0492 64 A 3.9438 7.9952 122.4459 50.8121 18.1625 175.0312 65 P 4.4050 0.0000 0.0000 64.7832 31.4789 177.4170 66 K 4.5758 7.8394 115.9531 54.8151 34.8398 175.6457 67 T 4.5821 8.3646 111.6962 61.1225 68.9369 173.1820 68 P 4.6694 0.0000 0.0000 63.2417 32.2884 175.3165 69 L 4.6421 7.2353 119.1494 53.9829 41.5993 175.5607 70 R 4.3094 7.6123 115.7570 56.5354 30.8641 177.9757 71 Y 4.4750 7.0095 117.4977 57.6492 39.1884 177.0363 72 V 3.6121 6.9346 120.0712 65.6183 31.4178 177.6279 73 A 4.0369 7.6829 120.2862 55.3845 18.1753 178.8920 74 M 3.7638 6.9346 115.5360 58.4924 31.8347 177.7402 75 V 3.9547 7.3982 116.8323 64.4645 31.9531 177.7735 76 I 4.0164 7.8009 119.1139 63.6644 37.1279 177.4299 77 W 4.5606 10.5525 118.3872 57.3951 29.0049 177.8225 78 L 4.2991 7.6298 119.5121 56.5184 42.3870 176.6227 79 Y 5.0850 7.1365 118.5814 57.3986 37.9602 175.1188 80 S 4.7344 7.5061 120.7896 58.1625 63.4282 176.8834 81 A 4.5655 9.1159 122.2562 52.9367 17.8379 178.4798 82 F 4.3721 7.8511 121.5259 61.9862 39.2925 177.5323 83 R 4.3263 7.8918 117.8866 59.0316 29.7808 179.1517 84 G 3.8608 8.1406 105.1183 48.8609 0.0000 174.6576 85 V 3.8381 9.2487 122.1469 65.4782 30.9459 177.8376 86 Q 4.1866 8.1682 117.0482 58.9943 28.7737 178.6653 87 L 3.9273 8.5139 122.2107 58.2103 41.7601 179.6061 88 T 3.9490 7.2394 109.0479 64.4762 68.7760 176.1690 89 Y 4.1182 8.5704 123.0690 61.1364 39.0143 177.1984 90 E 3.5495 9.2445 120.4792 59.4298 29.2424 179.8325 91 H 3.7957 8.1850 118.9169 59.0377 31.0709 176.7248 92 T 4.0091 8.0795 115.1261 65.4674 67.3130 175.8361 93 M 3.8747 7.8180 120.6723 58.8349 31.8114 178.7712 94 L 4.7177 7.4725 117.5907 56.2286 41.8722 178.3142 95 Q 4.0653 7.8319 119.9660 58.5497 29.0484 176.9547 96 L 4.5934 7.8852 114.2233 54.7860 43.8399 176.1350 97 Y 4.2064 7.7030 116.9689 55.1849 37.7265 173.9004 98 P 4.9445 0.0000 0.0000 62.1871 33.1522 175.6578 99 S 4.2721 7.6893 112.6750 57.0473 66.3754 173.1709 100 P 4.1486 0.0000 0.0000 65.6323 31.1693 178.6104 101 F 4.4448 6.0715 109.3825 57.9292 38.5428 175.4557 102 A 4.6770 7.0791 126.3411 52.0365 20.2604 174.4670 103 T 4.4372 7.6443 103.8699 63.1797 70.9274 172.1129 104 C 4.5639 7.4262 110.4723 58.5410 32.5780 172.4754 105 D 5.0338 8.4368 126.0195 53.7281 44.2726 175.0966 106 F 4.6439 8.3691 115.9241 57.7086 39.9031 174.5114 107 M 4.6877 7.4261 119.4701 53.3985 36.3955 175.4838 108 V 3.1216 7.6016 122.2140 62.0400 32.3892 175.3558 109 R 4.2914 6.4057 119.9001 56.0442 30.5674 174.3286 110 F 4.7079 7.6203 119.1080 55.9054 41.4132 173.1071 111 P 4.6824 0.0000 0.0000 62.9784 30.6456 177.3503 112 E 4.6895 8.8876 113.3015 57.0625 30.6539 174.5814 113 W 3.5589 8.8488 121.6132 57.7013 25.9057 173.7772 114 L 4.7601 7.5627 127.5923 53.5280 42.5077 176.0899 115 P 4.1534 0.0000 0.0000 65.7933 32.1254 179.4408 116 L 4.2621 8.0458 117.4705 57.6129 41.6715 178.9503 117 D 4.4539 7.1295 116.8992 56.1359 40.7593 177.0446 118 K 4.4499 8.1277 116.6200 55.6266 33.2812 176.3855 119 W 4.7877 7.7917 116.9591 56.4521 29.0116 176.0081 120 V 4.5783 7.1991 117.6817 63.8877 33.5755 175.4697 121 P 4.1878 0.0000 0.0000 64.8767 31.7559 177.0835 122 Q 4.0938 7.8444 119.0510 57.8921 29.6644 176.9634 123 V 3.5992 7.6810 116.7285 65.9848 32.1853 176.8281 124 F 4.5132 8.9470 119.7747 56.4104 37.0786 175.6651 125 V 4.3948 7.5410 118.1944 62.3810 33.3827 175.1977 126 A 4.5282 7.6650 121.2689 50.7718 19.3847 174.8362 *142 M 4.8033 8.3698 120.5283 55.4722 34.2875 176.0793 143 P 4.2954 0.0000 0.0000 66.6677 29.7704 179.5932 144 Q 3.3358 6.9929 117.1369 57.6617 28.8505 179.6510 145 W 4.4927 7.4852 119.9806 59.7572 29.1658 178.3782 146 L 4.3057 8.2234 118.4326 58.2517 39.9377 179.1629 147 L 4.1013 8.3064 118.8519 58.1587 41.6249 180.0536 148 G 3.8226 7.7005 103.0788 47.4399 0.0000 176.0496 149 I 3.6525 8.3504 116.0817 63.6414 37.3335 178.3935 150 F 4.0911 8.5657 119.3715 59.9425 38.8828 176.9889 151 I 4.0965 7.5229 109.5227 63.0372 37.4823 178.0757 152 A 4.0081 8.2711 123.2767 54.9812 17.9617 178.3526 153 Y 4.5838 8.0344 112.4929 58.6111 38.0257 176.0823 154 L 4.5753 7.4851 120.7107 56.8734 43.6357 178.3181 155 I 3.7878 7.6876 112.5522 64.1438 37.2106 178.3153 156 V 3.6310 7.8428 119.2977 65.7282 31.2537 177.7299 157 A 4.3728 7.9980 118.7506 54.6773 18.5711 179.3243 158 V 3.9017 8.3885 117.6677 65.8620 30.2434 177.8199 159 L 3.9673 8.5080 118.8754 58.2502 41.4521 180.0497 160 V 3.7653 7.3152 115.7609 65.0098 31.5034 177.1759 161 V 4.0433 7.1261 115.9690 63.5987 32.3100 175.3141 162 I 3.9908 8.1196 116.4936 60.8845 37.7357 175.3256 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 14 A 8.12 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.03 3.71 0.00 3.43 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 16 L 8.68 3.59 0.00 1.23 0.24 0.87 0.66 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 17 L 7.50 3.77 0.00 1.77 1.72 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.85 4.07 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 19 A 8.13 3.47 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 20 F 8.84 4.54 0.00 3.04 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 21 T 7.70 4.17 4.34 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 1.09 0.00 0.00 22 A 8.67 3.77 1.23 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 0.00 0.00 23 L 7.85 4.18 0.00 1.86 1.76 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 3.72 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 0.00 0.00 25 L 7.28 4.50 0.00 1.90 1.70 0.94 0.89 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 26 E 9.83 4.23 0.00 2.07 2.11 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 1.47 2.11 0.00 27 L 8.94 4.10 0.00 1.80 1.76 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.57 3.86 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 1.44 0.00 0.00 29 A 8.40 4.20 1.50 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 30 L 8.89 3.98 0.00 1.76 1.65 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.06 3.95 0.00 2.44 1.74 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 32 F 7.65 5.00 0.00 3.23 3.06 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 33 Q 8.23 4.11 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 34 H 6.98 4.70 0.00 3.21 3.40 0.00 5.65 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 35 V 7.82 3.95 2.40 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 1.01 0.00 0.00 1.26 0.00 0.00 36 M 9.31 4.53 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 37 L 8.61 3.68 0.00 1.82 1.31 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.61 4.66 0.00 1.63 1.61 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.02 4.22 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 40 P 0.00 4.99 0.00 2.50 2.31 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 41 C 7.70 4.49 0.00 2.97 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 42 V 8.13 3.92 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 1.15 0.00 0.00 0.72 0.00 0.00 43 L 7.79 4.00 0.00 1.88 1.86 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 44 C 8.15 4.08 0.00 2.89 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 45 I 7.54 3.58 1.61 0.00 0.00 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 1.42 0.18 0.73 0.00 0.00 46 Y 7.15 4.13 0.00 3.07 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 47 E 8.67 4.02 0.00 2.16 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 0.00 1.99 2.33 0.00 48 R 9.58 4.27 0.00 1.86 1.68 0.00 2.91 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 49 V 8.02 4.09 2.36 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 1.14 0.00 0.00 1.00 0.00 0.00 50 A 7.79 4.35 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.32 0.00 2.23 1.89 1.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.12 4.55 0.00 3.02 3.13 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 0.00 53 G 7.76 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 54 V 8.56 4.27 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 0.82 0.00 0.00 1.04 0.00 0.00 55 L 7.92 3.75 0.00 1.46 1.41 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.90 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.19 4.76 1.37 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 58 A 8.10 4.72 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 59 L 7.96 3.87 0.00 1.19 0.70 0.56 0.54 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 60 I 7.34 4.57 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.20 0.93 0.00 0.00 61 G 7.62 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 62 A 7.58 4.53 1.13 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 0.00 0.00 0.00 63 I 8.13 3.57 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.39 1.18 0.00 0.00 64 A 8.00 3.94 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 65 P 0.00 4.41 0.00 2.09 2.21 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 66 K 7.84 4.58 0.00 1.66 1.62 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.34 7.81 67 T 8.36 4.58 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 1.09 0.00 0.00 68 P 0.00 4.67 0.00 2.18 2.15 0.00 3.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 69 L 7.24 4.64 0.00 1.47 1.38 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.61 4.31 0.00 1.80 1.72 0.00 3.09 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 71 Y 7.01 4.47 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 72 V 6.93 3.61 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 1.02 0.00 0.00 0.61 0.00 0.00 73 A 7.68 4.04 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 74 M 6.93 3.76 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 75 V 7.40 3.95 2.20 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 0.87 0.00 0.00 1.06 0.00 0.00 76 I 7.80 4.02 2.14 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 1.61 0.73 1.09 0.00 0.00 77 W 10.55 4.56 0.00 3.22 3.29 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 78 L 7.63 4.30 0.00 1.58 1.08 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.14 5.09 0.00 3.00 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 80 S 7.51 4.73 0.00 3.95 3.36 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 81 A 9.12 4.57 1.55 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 82 F 7.85 4.37 0.00 3.59 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 83 R 7.89 4.33 0.00 2.15 2.03 0.00 3.57 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 84 G 8.14 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 85 V 9.25 3.84 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 0.90 0.00 0.00 1.02 0.00 0.00 86 Q 8.17 4.19 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 87 L 8.51 3.93 0.00 1.50 1.65 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.24 3.95 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 0.75 0.00 0.00 89 Y 8.57 4.12 0.00 2.88 3.02 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 0.00 0.00 0.00 90 E 9.24 3.55 0.00 2.02 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 2.18 2.29 0.00 91 H 8.18 3.80 0.00 3.22 3.31 0.00 5.95 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 92 T 8.08 4.01 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 1.29 0.00 0.00 93 M 7.82 3.87 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.44 0.00 94 L 7.47 4.72 0.00 1.58 1.66 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.83 4.07 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 96 L 7.89 4.59 0.00 1.74 1.87 0.95 0.76 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 97 Y 7.70 4.21 0.00 3.08 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 98 P 0.00 4.94 0.00 1.90 1.92 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 99 S 7.69 4.27 0.00 3.57 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 0.00 100 P 0.00 4.15 0.00 1.96 1.94 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 101 F 6.07 4.44 0.00 3.11 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 0.00 102 A 7.08 4.68 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 0.00 103 T 7.64 4.44 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 1.21 0.00 0.00 104 C 7.43 4.56 0.00 3.11 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 0.00 105 D 8.44 5.03 0.00 2.62 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 0.00 106 F 8.37 4.64 0.00 2.94 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 0.00 107 M 7.43 4.69 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 108 V 7.60 3.12 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 0.53 0.00 0.00 0.19 0.00 0.00 109 R 6.41 4.29 0.00 1.87 1.78 0.00 3.12 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 110 F 7.62 4.71 0.00 3.22 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 0.00 111 P 0.00 4.68 0.00 2.26 2.21 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 112 E 8.89 4.69 0.00 2.13 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 2.31 2.46 0.00 113 W 8.85 3.56 0.00 3.42 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 0.00 114 L 7.56 4.76 0.00 1.75 1.10 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.15 0.00 2.25 2.09 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 116 L 8.05 4.26 0.00 1.77 1.83 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.13 4.45 0.00 2.18 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 0.00 118 K 8.13 4.45 0.00 1.56 1.21 0.00 0.94 0.00 0.00 1.14 0.00 0.00 2.36 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.06 1.31 7.81 119 W 7.79 4.79 0.00 3.24 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 0.00 120 V 7.20 4.58 2.22 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 1.21 0.00 0.00 1.15 0.00 0.00 121 P 0.00 4.19 0.00 2.07 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.86 0.00 122 Q 7.84 4.09 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 123 V 7.68 3.60 2.20 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 0.47 0.00 0.00 0.99 0.00 0.00 124 F 8.95 4.51 0.00 3.04 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 0.00 125 V 7.54 4.39 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 0.84 0.00 0.00 0.95 0.00 0.00 126 A 7.66 4.53 1.25 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 0.00 0.00 0.00 *142 M 8.37 4.80 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.81 0.00 143 P 0.00 4.30 0.00 2.31 2.35 0.00 3.74 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 2.03 2.11 0.00 144 Q 6.99 3.34 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 145 W 7.49 4.49 0.00 3.48 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 0.00 146 L 8.22 4.31 0.00 1.91 1.97 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.31 4.10 0.00 1.71 1.81 0.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.70 3.82 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 0.00 0.00 0.00 149 I 8.35 3.65 1.83 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 1.96 0.84 0.98 0.00 0.00 150 F 8.57 4.09 0.00 3.22 3.30 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 0.00 151 I 7.52 4.10 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 1.02 0.00 0.00 152 A 8.27 4.01 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 0.00 153 Y 8.03 4.58 0.00 2.89 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 0.00 154 L 7.49 4.58 0.00 1.95 1.84 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.69 3.79 1.90 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 1.59 0.67 0.93 0.00 0.00 156 V 7.84 3.63 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 1.13 0.00 0.00 0.95 0.00 0.00 157 A 8.00 4.37 1.53 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 0.00 0.00 158 V 8.39 3.90 2.35 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 1.05 0.00 0.00 1.13 0.00 0.00 159 L 8.51 3.97 0.00 1.75 1.75 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.32 3.77 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 0.81 0.00 0.00 0.98 0.00 0.00 161 V 7.13 4.04 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 0.64 0.00 0.00 0.72 0.00 0.00 162 I 8.12 3.99 1.89 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 1.34 0.76 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.