NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6457 8.3501 109.7351 45.2398 0.0000 172.9587 *2 A 3.9282 8.2138 121.1246 51.1443 19.0304 174.7637 3 P 4.7048 0.0000 0.0000 61.9867 33.1608 175.8610 4 W 4.4781 8.6424 121.0595 56.5590 29.8938 175.9227 5 R 4.8523 9.2934 119.9695 53.9014 33.0220 174.2747 6 K 4.4158 8.8246 121.0179 57.0012 32.9721 175.7270 7 A 4.1646 8.4873 129.2761 52.1956 18.9251 175.8428 8 D 4.2549 9.2182 125.2527 54.8519 39.2648 176.8189 9 K 4.1943 7.1006 123.0719 57.1674 34.5926 178.2781 10 E 4.3633 7.8631 121.8157 55.5848 28.3619 175.9726 11 R 4.1189 7.6649 121.3785 58.7293 32.1943 177.9418 12 H 5.2779 8.1158 114.1944 54.1358 33.3931 172.9231 13 G 4.6447 8.8834 107.7279 45.1645 0.0000 171.5540 14 V 5.1267 8.7685 118.4864 59.4274 34.9237 175.0021 15 A 4.8333 9.0715 126.7184 52.0667 19.1798 177.6834 16 I 4.3330 8.6797 115.8671 60.9094 38.4425 174.5458 17 Y 4.5368 7.5709 121.7688 56.9703 41.7366 173.0359 18 N 4.9221 8.6998 120.8727 52.9927 39.7726 174.4084 19 F 4.8840 9.7476 126.8357 56.5497 41.6970 173.9903 20 Q 4.3902 8.4151 128.7794 54.6084 29.3138 175.3998 21 G 3.6124 8.3064 115.2111 45.0689 0.0000 172.3465 22 S 4.6214 8.8215 112.7696 58.0013 63.3733 174.8869 23 G 3.9276 8.3911 107.0039 44.8748 0.0000 173.2328 24 A 4.3586 8.3676 121.8005 52.0294 18.7953 176.3457 25 P 4.4919 0.0000 0.0000 64.2906 32.3654 175.8676 26 Q 4.8403 8.0931 121.0641 55.7901 29.5820 175.1678 27 L 4.6831 9.0970 127.1227 53.4828 42.9367 176.3818 28 S 4.5748 8.8138 122.8918 58.8296 63.7581 173.8512 29 L 5.0763 9.3302 122.2836 53.2297 46.1118 175.4208 30 Q 5.0983 9.5064 120.9636 53.6440 31.6838 175.2197 31 I 3.8971 8.6103 123.0733 63.2322 38.2711 176.2821 32 G 4.0500 9.1611 116.4497 45.0342 0.0000 173.4090 33 D 4.4730 8.1350 120.8688 54.5706 42.1304 175.4752 34 V 4.6425 8.3546 122.8654 61.6706 33.5391 174.9049 35 V 4.8686 8.8926 120.5030 59.4949 36.1252 174.3208 36 R 4.5245 8.1608 123.4388 54.8407 31.5281 174.9086 37 I 4.4038 8.4756 128.3725 60.5121 37.3727 175.5442 38 Q 4.5736 9.2177 126.5537 57.1254 31.1164 175.1611 39 E 5.0276 7.9096 114.8035 55.7749 33.6942 173.8002 40 T 5.2335 9.2114 113.2488 61.4500 71.6934 172.6722 41 C 4.1393 8.6518 126.4442 58.5733 33.7003 174.8432 42 G 3.9231 8.6221 120.0273 46.7378 0.0000 172.3293 43 D 4.6162 8.8077 123.7735 53.2298 41.0443 174.9604 44 W 5.1467 7.4668 117.4228 55.0633 33.2741 174.0676 45 Y 5.4995 8.8930 119.7472 56.3104 41.3084 174.5827 46 R 4.7268 8.8772 121.8491 54.8609 33.2023 174.8475 47 G 4.2123 8.9183 111.9137 46.7897 0.0000 171.3177 48 Y 5.5160 7.5264 118.2876 55.6000 42.3711 174.4049 49 L 4.4607 8.6911 120.5891 54.6794 42.1190 178.3578 50 I 3.8131 8.5103 125.8723 64.6043 37.1995 177.1833 51 K 4.2323 7.7867 116.1001 56.5447 32.3010 177.4331 52 H 4.8371 7.8911 112.5484 54.9416 31.6753 175.1980 53 K 3.6920 7.8031 120.6020 55.8090 32.2525 178.9692 *55 L 4.0780 7.7500 118.7213 54.7597 42.0513 176.1882 56 Q 5.1850 9.3244 123.4372 53.3895 32.5804 175.6288 57 G 3.9873 7.7443 108.6211 46.0014 0.0000 170.9975 58 I 5.0927 7.9364 113.1469 59.5239 40.4583 174.7975 59 F 5.2807 8.5278 117.3890 54.8757 41.7694 171.7557 60 P 3.6745 0.0000 0.0000 62.1204 31.7566 177.5473 61 K 3.5651 8.5248 126.0948 59.2824 32.2246 179.0448 62 S 4.1642 7.8258 111.9446 60.5370 63.0274 174.6018 63 F 4.5486 8.3456 119.0812 57.2599 39.0965 174.7139 64 I 5.1094 7.8196 121.9075 59.6959 40.0598 174.3750 65 H 4.8387 9.2100 126.6655 54.3473 31.7973 173.3927 66 I 4.4644 8.2793 127.6427 61.2176 37.6388 175.2616 67 K 4.8045 8.5803 126.1976 55.4443 35.8737 175.0516 68 E 4.7603 8.7375 118.1178 55.1007 32.2729 176.0151 69 V 4.2841 7.5899 118.2512 61.9296 31.7400 175.4342 *81 I 3.8918 7.5787 118.4048 59.7927 39.3104 172.7991 82 P 4.3325 0.0000 0.0000 62.3440 32.0567 176.8665 83 A 3.9871 8.9182 124.6198 55.4712 18.0575 179.4916 84 E 4.0139 8.1781 115.1714 59.3051 29.5408 179.3842 85 I 3.7065 7.9405 121.5720 63.8577 37.2974 176.5198 86 P 4.8937 0.0000 0.0000 65.2972 31.0437 178.0995 87 L 3.9389 8.0306 120.1484 57.8055 42.0108 178.6678 88 A 3.9898 8.1827 121.0312 55.3342 18.4509 179.6179 89 Q 3.9416 8.1428 116.5322 59.1203 28.7201 178.6834 90 E 3.9313 8.3462 120.3549 59.0809 29.5495 179.0852 91 V 3.3885 7.7263 118.4052 66.0752 31.5981 177.9560 92 T 3.8376 7.7310 115.3510 67.1926 68.2527 176.6208 93 T 4.0005 7.8726 117.3408 66.9717 68.4228 176.9158 94 T 3.5883 8.1131 117.9926 66.4865 68.2982 176.6896 95 L 3.6344 8.2072 121.1987 57.4842 41.4010 179.7172 96 W 4.0337 7.9416 118.4558 59.6912 28.8273 178.5069 97 E 4.1574 8.1166 118.7960 59.2658 28.8971 179.4713 98 W 4.5685 8.5252 119.3160 59.7090 29.1129 178.6116 99 G 3.7819 8.5547 106.1721 48.0296 0.0000 175.5973 100 S 4.2614 8.0774 115.3745 61.4291 62.4350 176.4100 101 I 4.5781 7.5944 122.5007 63.5681 36.7907 178.0524 102 W 4.4072 9.1067 129.7621 60.7544 30.5121 178.2118 103 K 4.0051 8.2993 117.8519 59.5576 31.5790 179.4207 104 Q 4.0917 7.8790 117.0729 58.7607 28.6265 178.6106 105 L 4.0519 8.2506 120.4959 57.6813 41.6188 178.8530 106 Y 3.2372 8.0242 119.5444 60.5884 38.5433 178.3549 107 V 3.2635 7.6716 117.3261 65.2662 31.6622 176.7926 108 A 4.2507 7.5517 117.3999 50.8931 19.2275 176.7973 109 S 3.3898 7.4811 112.4775 59.4502 61.3487 174.8370 110 K 4.3098 7.6927 119.9306 54.4519 29.3045 176.5867 111 K 3.9113 8.0288 123.2914 60.1705 32.6504 179.0090 112 E 3.9779 8.1089 119.1059 59.1500 29.5250 179.2001 113 R 3.8784 7.9670 118.2744 59.1224 30.1281 178.0050 114 F 4.1866 8.5668 120.8434 61.2765 39.4445 176.8628 115 L 3.9370 8.1949 119.8284 58.1597 41.7132 178.5154 116 Q 3.9178 7.9868 118.2632 59.3967 29.0645 178.3392 117 V 3.4234 7.8745 118.1752 65.7335 31.5701 177.2951 118 Q 3.1998 7.7169 118.7358 58.2616 30.2063 178.3680 119 S 4.2260 7.5754 117.6311 58.3125 59.4543 173.8949 *122 Y 4.7045 7.6769 121.6441 58.0264 40.3565 176.6020 123 D 3.8924 8.0901 119.5058 57.3029 40.9152 180.4506 124 L 3.9915 7.1848 116.6209 54.9287 41.1724 178.7199 *126 E 4.2422 8.3622 121.2452 56.1399 31.4430 177.8230 127 W 4.4641 8.3983 119.0207 59.7354 28.9351 178.4752 128 R 3.9334 8.5463 119.2469 59.5353 29.2919 178.5276 129 S 4.0942 8.0027 111.3755 61.5071 62.8531 175.6900 130 Q 4.1715 8.2902 120.8335 58.8563 28.2194 178.5653 131 L 4.0301 8.3316 119.5097 57.6818 41.8213 178.9107 132 L 4.3197 7.9556 116.2393 55.7456 41.8975 178.7395 133 S 4.3309 7.8652 114.5756 59.0272 63.0712 174.9332 134 G 3.9208 7.9845 108.4911 46.7538 0.0000 173.9446 135 T 4.4106 7.8728 114.3471 62.8380 69.4667 174.5739 136 L 4.4854 7.6063 122.3747 52.5424 43.1238 175.3800 137 P 4.4394 0.0000 0.0000 62.1641 33.4228 177.1096 138 K 3.7820 8.6449 119.7149 60.2280 32.0606 178.4754 139 D 4.3148 7.9853 118.0694 57.3448 40.8104 178.2415 140 E 3.8762 8.0758 119.3141 59.1443 29.6048 178.2807 141 L 3.8993 8.0163 120.4122 58.0324 41.9470 178.9352 142 K 3.8897 7.8786 118.9798 59.6251 32.1931 178.7091 143 E 3.9134 8.0118 118.4859 59.1377 29.3146 179.1286 144 L 3.6363 8.1209 120.8888 57.9984 42.1048 179.0748 145 K 3.9415 8.2351 118.6768 59.6723 31.9583 179.3541 146 Q 4.0685 7.7543 119.6168 58.3115 28.6432 178.7978 147 K 3.9498 7.8595 119.5554 59.1912 31.8987 179.6413 148 V 3.9149 7.9334 118.7986 66.4445 31.5706 178.2709 149 T 3.9455 8.1718 109.6662 64.9254 68.3989 176.5762 150 S 4.2968 8.3010 118.0064 61.2974 62.8771 176.5661 151 K 4.1991 8.3306 122.3766 59.4702 31.9470 178.8174 152 I 3.9107 8.1545 120.2135 64.7440 37.1363 178.0580 153 D 4.4823 8.4318 119.5561 57.5876 40.6654 178.3603 154 Y 4.2813 8.6097 120.3742 60.6431 38.8538 178.0954 155 G 3.0841 8.7339 107.0499 47.9378 0.0000 175.2880 156 N 4.5422 8.9253 119.6991 55.6763 38.5161 177.5394 157 K 4.0361 8.0074 121.2795 59.5448 32.2214 179.0963 158 I 3.6351 7.1896 111.5652 63.0621 37.5330 177.0075 159 L 4.1822 7.3460 118.5806 53.4762 42.3129 175.8477 160 E 3.6653 7.8506 117.4157 57.5602 27.1191 173.7467 161 L 4.6246 8.3184 118.8365 52.5402 44.2911 176.3084 162 D 4.3418 8.4236 119.3103 54.4559 41.4235 175.5542 163 L 4.2831 8.4083 126.6847 54.0444 41.5404 177.0155 164 I 3.9674 8.2275 124.8499 61.0476 37.8067 175.7709 165 V 4.3542 7.6566 121.9265 61.3018 33.5914 174.8386 166 R 3.7967 8.0670 126.3423 55.3025 31.5157 175.3175 167 D 4.3896 8.3606 122.6652 54.6767 41.9363 175.3724 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 0 G 8.35 3.65 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 0.00 0.00 0.00 *2 A 8.21 3.93 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 3 P 0.00 4.70 0.00 2.11 2.05 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 4 W 8.64 4.48 0.00 3.23 3.43 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 5 R 9.29 4.85 0.00 1.83 1.99 0.00 2.79 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 6 K 8.82 4.42 0.00 1.83 1.80 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 7 A 8.49 4.16 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 8 D 9.22 4.25 0.00 2.81 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 9 K 7.10 4.19 0.00 1.84 1.97 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 10 E 7.86 4.36 0.00 1.90 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 2.34 2.36 0.00 11 R 7.66 4.12 0.00 1.83 1.91 0.00 3.10 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 12 H 8.12 5.28 0.00 3.05 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.88 4.64 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 0.00 0.00 0.00 14 V 8.77 5.13 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 1.01 0.00 0.00 1.01 0.00 0.00 15 A 9.07 4.83 1.43 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 0.00 0.00 16 I 8.68 4.33 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 1.02 0.00 0.00 17 Y 7.57 4.54 0.00 2.78 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 18 N 8.70 4.92 0.00 2.77 2.83 0.00 0.00 6.69 7.45 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 19 F 9.75 4.88 0.00 2.64 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 20 Q 8.42 4.39 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 21 G 8.31 3.61 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 0.00 0.00 0.00 22 S 8.82 4.62 0.00 3.98 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 23 G 8.39 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 0.00 0.00 0.00 24 A 8.37 4.36 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 25 P 0.00 4.49 0.00 2.01 2.22 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 26 Q 8.09 4.84 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 27 L 9.10 4.68 0.00 1.81 2.00 1.01 1.15 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 28 S 8.81 4.57 0.00 3.80 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 29 L 9.33 5.08 0.00 1.66 1.53 0.60 0.47 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 Q 9.51 5.10 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 31 I 8.61 3.90 1.80 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 1.23 0.91 0.88 0.00 0.00 32 G 9.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.13 4.47 0.00 2.64 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 34 V 8.35 4.64 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 1.03 0.00 0.00 1.00 0.00 0.00 35 V 8.89 4.87 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 0.40 0.00 0.00 0.90 0.00 0.00 36 R 8.16 4.52 0.00 1.46 0.66 0.00 2.90 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.00 37 I 8.48 4.40 1.80 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.60 0.60 0.00 0.00 38 Q 9.22 4.57 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 39 E 7.91 5.03 0.00 2.41 2.27 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 2.31 2.35 0.00 40 T 9.21 5.23 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 41 C 8.65 4.14 0.00 1.23 1.18 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 42 G 8.62 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 43 D 8.81 4.62 0.00 2.42 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 0.00 0.00 0.00 0.00 44 W 7.47 5.15 0.00 3.23 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 45 Y 8.89 5.50 0.00 2.14 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 0.00 0.00 0.00 0.00 46 R 8.88 4.73 0.00 1.44 1.66 0.00 2.56 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 47 G 8.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.53 5.52 0.00 3.25 3.11 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 49 L 8.69 4.46 0.00 1.94 1.67 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.51 3.81 1.85 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 1.39 0.75 0.91 0.00 0.00 51 K 7.79 4.23 0.00 1.43 1.41 0.00 1.29 0.00 0.00 0.88 0.00 0.00 2.41 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.12 1.23 7.81 52 H 7.89 4.84 0.00 3.11 3.16 0.00 5.68 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 53 K 7.80 3.69 0.00 1.55 1.29 0.00 1.69 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.57 7.81 *55 L 7.75 4.08 0.00 1.91 1.73 0.87 0.59 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 56 Q 9.32 5.18 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.12 0.00 0.00 0.00 0.00 0.00 2.28 2.74 0.00 57 G 7.74 3.99 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 0.00 0.00 0.00 58 I 7.94 5.09 2.18 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.69 0.00 0.00 59 F 8.53 5.28 0.00 2.85 3.35 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 60 P 0.00 3.67 0.00 1.64 1.25 0.00 2.20 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.44 0.00 61 K 8.52 3.57 0.00 1.02 1.43 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 0.83 7.81 62 S 7.83 4.16 0.00 3.90 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 63 F 8.35 4.55 0.00 3.17 3.20 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 64 I 7.82 5.11 2.37 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 1.65 1.50 1.05 0.00 0.00 65 H 9.21 4.84 0.00 3.21 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.28 4.46 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.89 0.00 0.00 67 K 8.58 4.80 0.00 1.77 1.87 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 68 E 8.74 4.76 0.00 1.94 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 2.22 2.20 0.00 69 V 7.59 4.28 1.78 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 0.73 0.00 0.00 0.86 0.00 0.00 *81 I 7.58 3.89 1.87 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 1.47 0.94 0.91 0.00 0.00 82 P 0.00 4.33 0.00 2.38 2.17 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 83 A 8.92 3.99 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 84 E 8.18 4.01 0.00 2.17 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 0.00 2.36 2.35 0.00 85 I 7.94 3.71 1.98 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 1.68 0.93 0.91 0.00 0.00 86 P 0.00 4.89 0.00 2.26 2.31 0.00 4.04 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.88 0.00 87 L 8.03 3.94 0.00 1.87 1.86 0.93 1.26 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 88 A 8.18 3.99 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 89 Q 8.14 3.94 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 90 E 8.35 3.93 0.00 2.02 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 2.25 2.29 0.00 91 V 7.73 3.39 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 0.89 0.00 0.00 0.96 0.00 0.00 92 T 7.73 3.84 4.46 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 1.41 0.00 0.00 93 T 7.87 4.00 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 1.26 0.00 0.00 94 T 8.11 3.59 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 95 L 8.21 3.63 0.00 1.49 1.36 0.72 0.86 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 96 W 7.94 4.03 0.00 3.52 3.24 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 97 E 8.12 4.16 0.00 2.20 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 0.00 2.42 2.64 0.00 98 W 8.53 4.57 0.00 3.27 3.07 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 99 G 8.55 3.78 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 0.00 0.00 0.00 100 S 8.08 4.26 0.00 4.03 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 0.00 101 I 7.59 4.58 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.95 0.00 0.00 102 W 9.11 4.41 0.00 3.38 3.51 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 0.00 103 K 8.30 4.01 0.00 2.11 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.82 7.81 104 Q 7.88 4.09 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 105 L 8.25 4.05 0.00 2.11 1.89 1.03 0.92 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 0.00 106 Y 8.02 3.24 0.00 2.50 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 0.00 107 V 7.67 3.26 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 0.81 0.00 0.00 1.05 0.00 0.00 108 A 7.55 4.25 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 0.00 109 S 7.48 3.39 0.00 3.85 3.78 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 0.00 110 K 7.69 4.31 0.00 1.80 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 111 K 8.03 3.91 0.00 2.00 2.06 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.57 7.81 112 E 8.11 3.98 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 113 R 7.97 3.88 0.00 1.94 1.96 0.00 3.35 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 114 F 8.57 4.19 0.00 3.21 3.24 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 0.00 115 L 8.19 3.94 0.00 1.96 1.96 0.98 0.56 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 0.00 116 Q 7.99 3.92 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 117 V 7.87 3.42 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 0.61 0.00 0.00 0.75 0.00 0.00 118 Q 7.72 3.20 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.15 0.00 0.00 0.00 0.00 0.00 1.56 1.90 0.00 119 S 7.58 4.23 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 Y 7.68 4.70 0.00 2.96 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 0.00 123 D 8.09 3.89 0.00 2.03 1.54 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 0.00 124 L 7.18 3.99 0.00 1.49 1.49 0.57 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *126 E 8.36 4.24 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 127 W 8.40 4.46 0.00 3.33 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 0.00 128 R 8.55 3.93 0.00 1.87 1.98 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 129 S 8.00 4.09 0.00 3.90 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 0.00 130 Q 8.29 4.17 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.78 0.00 131 L 8.33 4.03 0.00 1.80 1.75 0.96 1.02 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 0.00 132 L 7.96 4.32 0.00 1.62 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.87 4.33 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.98 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 0.00 135 T 7.87 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 L 7.61 4.49 0.00 1.59 1.57 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.44 0.00 2.24 2.16 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 138 K 8.64 3.78 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.56 7.81 139 D 7.99 4.31 0.00 2.74 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 0.00 140 E 8.08 3.88 0.00 1.99 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 2.31 2.30 0.00 141 L 8.02 3.90 0.00 1.89 1.83 0.90 0.63 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 0.00 142 K 7.88 3.89 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 143 E 8.01 3.91 0.00 2.13 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 2.40 0.00 144 L 8.12 3.64 0.00 1.55 1.71 0.35 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.24 3.94 0.00 1.96 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.69 7.81 146 Q 7.75 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 147 K 7.86 3.95 0.00 1.40 1.15 0.00 1.08 0.00 0.00 0.76 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.34 7.81 148 V 7.93 3.91 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 1.14 0.00 0.00 1.17 0.00 0.00 149 T 8.17 3.95 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 1.28 0.00 0.00 150 S 8.30 4.30 0.00 4.12 4.01 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 0.00 151 K 8.33 4.20 0.00 2.29 2.07 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.27 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.69 7.81 152 I 8.15 3.91 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 1.00 0.00 0.00 153 D 8.43 4.48 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.61 4.28 0.00 3.13 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 0.00 155 G 8.73 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.93 4.54 0.00 3.07 3.00 0.00 0.00 6.73 7.26 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 0.00 157 K 8.01 4.04 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 158 I 7.19 3.64 1.60 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.34 0.14 0.00 0.00 159 L 7.35 4.18 0.00 1.54 1.62 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.85 3.67 0.00 2.12 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 2.21 2.21 0.00 161 L 8.32 4.62 0.00 1.77 1.71 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.42 4.34 0.00 2.65 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 0.00 163 L 8.41 4.28 0.00 1.69 1.66 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 164 I 8.23 3.97 1.91 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 1.35 0.93 0.93 0.00 0.00 165 V 7.66 4.35 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 0.82 0.00 0.00 0.95 0.00 0.00 166 R 8.07 3.80 0.00 1.83 1.81 0.00 3.24 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 167 D 8.36 4.39 0.00 2.64 2.47 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 0.00 * Residues marked with a * may have inaccurate shift predictions.