NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2375 8.0385 120.6246 55.2949 44.1744 178.7373 3 A 3.7675 7.9241 120.3484 54.6744 18.3519 177.9872 4 K 3.9097 8.2391 116.5584 59.7726 32.6791 178.0309 5 V 3.6418 7.7593 117.8744 65.8986 31.3818 177.8290 6 L 3.9901 8.6211 119.1419 57.6585 41.5935 179.4081 7 K 4.0105 8.2020 119.5005 59.4529 31.9429 178.8399 8 K 3.9775 7.9035 117.5863 59.4540 32.1492 178.6760 9 R 4.4211 7.9151 114.7740 55.5445 30.0789 177.1074 10 G 3.9246 7.9829 107.0701 46.3125 0.0000 175.3043 11 A 4.1252 8.3717 122.3649 53.1624 19.4630 178.0856 12 V 4.5529 7.4910 114.4554 61.0184 33.8621 174.2748 13 L 5.0188 8.9842 131.0631 53.1847 44.5205 175.3339 14 R 5.1010 9.1214 126.7803 56.0042 31.0303 176.7100 15 G 3.6830 8.5100 112.8523 46.0417 0.0000 172.0114 16 D 4.4202 7.3453 122.5861 52.5987 43.4019 175.6833 17 F 5.1998 9.2254 124.3265 55.5057 43.8135 174.2130 18 V 4.8821 8.5290 118.9970 61.4118 33.8508 174.9242 19 L 4.8472 8.8278 127.9313 53.1075 43.7185 177.9100 20 S 4.4111 8.7734 115.0230 60.4338 62.9979 175.4848 21 S 4.2218 7.8959 115.1775 59.4062 63.3159 175.0849 22 G 4.0512 8.4972 109.4279 45.0159 0.0000 174.1106 23 R 4.2457 7.6754 119.0802 56.0267 31.4072 175.7503 24 R 4.7990 8.4677 122.5270 55.7744 31.4269 175.4071 25 S 4.9660 9.3493 119.9716 56.7722 66.2341 174.1564 26 S 5.5523 9.3371 118.7295 58.1634 64.3029 173.5595 27 V 5.4770 8.3153 120.1870 60.3433 34.2974 174.2991 28 Y 4.2607 9.0947 124.2243 55.7235 41.2480 174.0049 29 I 4.7415 7.3346 126.9044 59.7690 39.3544 174.2962 30 D 4.5419 8.9143 125.0953 53.2677 45.0290 175.8915 *32 R 4.4748 8.5876 119.4049 56.3455 31.8860 178.2512 33 R 4.1758 7.8796 115.7854 58.3432 30.1817 178.6043 34 L 4.0702 8.0281 117.0275 57.1259 41.8604 178.2779 35 L 4.1216 8.2414 119.2066 57.4821 41.6148 178.6455 36 G 3.9696 7.6162 105.4907 45.4886 0.0000 173.5639 37 D 4.4256 8.0750 119.7208 51.6251 44.0819 175.0327 38 E 2.5400 8.7207 128.4914 58.9905 29.3828 178.4617 39 S 3.9660 7.7651 112.3930 61.4623 62.4894 176.3313 40 S 4.1810 7.9280 117.7336 61.8357 62.6693 176.3419 41 Y 4.6416 8.1162 120.4066 60.1212 37.7268 178.3329 42 S 4.3616 8.0849 117.5209 61.4225 62.8837 176.6571 43 V 3.6078 7.6896 120.9562 65.8704 31.2725 177.9488 44 A 3.9460 8.0991 120.4200 55.2077 18.2116 179.6096 45 L 4.0910 8.6230 117.9266 58.1668 41.7448 179.5273 46 D 4.3969 8.3397 118.8201 57.3965 40.6871 178.8978 47 L 4.0425 8.0334 119.5740 57.6261 41.4972 179.5328 48 L 3.9440 8.1054 119.1343 57.7093 41.4195 179.5320 49 L 3.9914 8.1567 119.0997 57.5570 41.3084 179.1313 50 E 3.8909 7.9749 118.2426 59.6195 29.7618 179.1803 51 V 3.8804 7.8495 111.0155 64.0372 32.0142 178.5897 52 G 3.7077 8.6618 106.2039 46.9465 0.0000 174.5818 53 G 3.8575 8.1958 110.7965 46.5560 0.0000 175.4020 54 Q 4.0647 8.5412 116.7642 58.7217 28.5184 177.9012 55 D 4.3411 8.0039 119.1511 57.3100 41.2530 178.1384 56 L 4.0821 7.8494 120.0515 58.1539 41.9499 178.8020 57 A 4.0706 7.9194 119.4363 54.4470 18.3731 178.7517 58 R 4.3924 7.9090 114.2056 55.0672 31.2761 177.0069 59 S 4.2841 7.1240 114.1048 58.5995 63.3431 174.8415 60 S 4.4634 9.1780 117.4737 60.8483 63.4302 173.7482 61 A 4.6746 7.7269 120.0266 51.1110 22.5880 174.8615 62 V 4.3667 8.3953 119.9595 61.2451 34.0010 174.6056 63 I 4.9542 8.7972 128.8716 59.5527 39.8378 174.8875 64 G 4.2307 9.0676 114.6021 44.9257 0.0000 173.3099 65 V 4.4846 8.5600 123.4696 60.7711 31.5553 174.1271 66 A 4.1505 8.4904 128.2700 53.1889 18.4245 176.2989 67 T 4.2569 8.4591 117.0696 65.8467 71.1804 177.0362 68 G 3.9971 7.8999 108.4756 48.4084 0.0000 175.3593 69 G 4.0416 8.1886 106.2814 44.4234 0.0000 175.3037 70 L 3.8366 7.8392 123.6171 57.7607 41.9276 177.0321 71 P 3.9716 0.0000 0.0000 65.1505 31.2622 178.3345 72 W 4.2915 7.6068 116.1005 59.6837 29.2872 177.9310 73 A 4.2405 8.3541 120.5918 54.9757 17.7850 180.1742 74 A 4.1691 7.9995 116.2798 52.9802 18.1975 179.2520 *76 L 4.2028 7.9228 122.3059 56.2889 43.9735 179.3249 77 A 4.0061 8.3177 121.5983 55.1216 18.9312 179.4365 78 L 3.9911 8.1429 117.8298 58.2501 42.3771 179.3557 79 R 3.9584 8.0631 116.1718 58.8945 30.0532 177.2868 80 L 4.3890 7.9996 114.8030 53.9147 42.0841 176.3587 81 S 3.7462 7.5904 113.7117 59.9046 60.9014 171.9588 82 K 4.7876 8.0693 117.2007 53.6349 35.4212 175.4252 83 P 4.4906 0.0000 0.0000 62.8046 32.5217 175.1707 84 L 5.2957 8.4763 123.7838 53.6222 45.0196 175.3119 85 G 4.3975 8.7459 110.5644 45.6516 0.0000 170.7573 86 Y 5.3316 8.1732 116.2303 55.9973 41.8536 173.4871 87 V 4.8540 8.7130 120.8009 61.0790 34.5309 174.3828 88 R 5.0813 8.6259 123.9167 53.5309 32.1129 173.9673 89 P 4.4132 0.0000 0.0000 62.5036 31.4885 175.7919 90 E 4.3877 8.4549 123.1060 54.8928 30.6547 176.8176 91 R 3.9861 8.2728 121.1017 56.2988 30.7027 176.9270 92 K 4.1900 8.3888 121.8297 57.0335 33.1095 177.2460 93 G 3.9556 8.9259 109.4287 46.2757 0.0000 173.6558 94 H 4.6686 8.2288 114.1206 55.1361 29.4488 175.4531 95 G 3.9308 8.3380 107.3360 45.8640 0.0000 173.7934 96 T 4.1287 7.6812 115.5245 62.9265 69.1455 173.8426 97 L 4.6905 8.1393 125.0475 52.6940 43.6598 176.9417 98 S 4.3728 8.4870 119.7523 59.0231 63.4961 173.2455 99 Q 4.4491 7.9781 118.2369 55.4796 30.8050 174.7163 100 V 3.8949 8.0066 119.5688 61.0265 30.8455 174.7643 101 E 3.9406 8.1843 127.4367 57.5185 29.7562 177.7423 102 G 3.8524 8.8438 110.5894 44.3793 0.0000 172.9464 103 D 4.3691 7.6131 118.0336 54.4855 39.9579 171.4057 104 P 4.5555 0.0000 0.0000 61.7330 32.6191 174.8266 105 P 4.3715 0.0000 0.0000 62.3667 31.8233 176.7832 106 K 3.4935 8.5693 121.1420 55.7101 32.8004 177.4470 107 G 3.8911 7.8376 108.4292 45.9221 0.0000 170.1849 108 R 5.1819 7.0086 121.7457 55.3944 31.1494 177.0155 109 V 4.9787 8.8570 118.9212 59.5619 36.0755 174.8411 110 V 4.5411 8.0853 120.8666 61.3577 34.3035 174.8192 111 V 4.6855 8.2589 120.5308 60.3961 33.7521 175.1834 112 V 4.9816 9.0583 123.5418 61.3241 34.7737 173.8299 113 D 5.1376 8.9073 125.9374 52.7268 45.0276 175.7521 114 D 4.1054 8.8832 122.5481 55.8703 40.6814 176.1769 115 V 4.8206 7.5204 117.2723 60.3174 34.6579 174.1239 116 A 4.2606 8.8922 130.3308 52.6043 19.9622 175.7831 117 T 4.1513 8.8953 113.6912 62.4057 69.2322 175.3226 118 T 4.0264 8.7195 116.0060 61.8636 70.5474 177.4546 119 G 4.0037 8.2346 110.9732 45.5647 0.0000 175.3599 120 T 3.8571 7.6469 111.3060 64.7847 68.4299 176.7025 121 S 4.1246 7.9951 116.6909 61.2992 63.1053 176.4846 122 I 3.7239 7.6814 122.7476 63.9094 37.0025 177.8673 123 A 4.0034 8.2693 121.9739 55.2574 18.2048 179.8355 124 K 3.9457 8.2216 116.8527 59.7865 32.0918 179.8131 125 S 4.1588 7.8624 115.3928 61.5388 62.6127 176.8093 126 I 3.7172 7.9182 122.6033 64.4032 36.8288 178.3115 127 E 3.9622 8.2960 119.4454 59.3390 29.0264 179.6214 128 V 3.5937 7.7776 118.2032 65.8893 31.6131 178.0582 129 L 4.1260 8.0593 118.7186 58.1317 41.3144 179.8630 130 R 4.3768 8.0256 118.0451 58.7470 30.0543 178.8615 131 S 4.4227 8.0734 113.4575 59.9909 62.9251 175.1435 132 N 4.9944 7.7095 118.3002 52.6885 39.1388 175.3958 133 G 3.7312 8.2335 106.9175 45.6031 0.0000 173.1676 134 Y 4.9816 7.9055 117.2186 56.2439 41.3153 174.6774 135 T 4.9076 8.5929 111.1186 60.1814 72.0475 173.5532 136 V 4.8657 8.2326 122.4755 60.8798 34.1855 173.7927 137 G 4.2357 9.0001 109.2450 45.7590 0.0000 171.6542 138 T 5.3256 7.8721 116.6292 61.5245 72.9330 172.5205 139 A 5.0973 8.9282 126.9618 49.9357 22.3307 174.5242 140 L 5.1561 9.0928 124.6350 53.3570 45.0922 175.7531 141 V 5.4619 8.3571 117.7298 58.7659 36.3403 176.6877 142 L 3.8149 8.3969 122.0281 57.2617 42.6230 177.5256 143 V 4.8478 7.4305 117.8424 60.9510 35.0310 173.2305 144 D 5.0236 8.7691 127.8368 52.5685 42.3569 177.1789 145 R 3.8057 8.8699 125.7897 56.4301 30.7270 176.8990 146 G 3.8388 8.4107 106.9283 47.2179 0.0000 173.4757 147 E 4.6188 8.3062 113.7595 55.6476 30.7192 177.4914 148 G 4.0051 8.4139 107.5744 44.7115 0.0000 175.8262 149 A 4.3344 7.6800 123.0762 54.7258 18.4313 179.6824 150 G 3.5665 8.0196 103.6711 48.0247 0.0000 175.5983 151 E 3.9896 8.0615 120.4939 58.9343 29.3542 178.9950 152 L 3.9652 7.7206 119.3336 58.2851 42.4896 178.8246 153 L 4.1155 8.1485 118.7134 57.5880 41.2784 179.3049 154 A 4.2597 7.8111 121.4828 54.2342 18.5380 179.5342 155 R 4.2692 7.6307 116.9521 56.0379 30.5340 177.2493 *157 G 3.8151 8.0110 103.6079 45.4400 0.0000 173.3418 158 V 4.5310 7.9720 119.1993 60.6087 35.0482 173.9638 159 R 4.4025 9.0367 128.9731 54.9674 31.3580 174.6163 160 L 4.8417 8.4620 129.1320 54.3273 43.3641 175.7438 161 V 4.6460 8.9575 126.1601 61.0704 34.7169 174.2799 162 S 5.6218 8.3664 120.2066 55.4410 65.6761 174.1538 163 V 3.8095 8.4915 121.3740 65.9684 31.9429 175.5707 164 A 4.7582 8.2741 120.1369 51.0752 23.1892 175.4828 165 T 4.8241 8.1709 108.7143 59.6216 71.4226 175.5610 166 L 3.7932 8.4357 124.8048 58.1613 42.0108 179.2925 167 K 3.8080 7.9580 119.0034 60.0098 32.1482 178.6893 168 T 3.8830 7.7771 115.6296 66.6152 68.4542 176.8305 169 I 3.7033 7.7239 121.7664 64.3870 37.1091 178.5478 170 L 3.9698 8.0966 120.1421 57.5102 41.3813 179.1930 171 E 3.9720 8.2413 119.3685 59.3747 29.4305 179.0416 172 K 4.0328 7.9451 117.1063 59.1201 32.1792 178.3544 173 L 4.4951 7.8611 116.1186 53.6104 42.4142 176.6000 174 G 4.0310 8.2112 107.1290 46.2521 0.0000 175.1209 175 W 3.9152 8.6113 130.4051 58.7498 31.1917 177.0957 176 G 4.1559 8.6019 101.5911 45.3075 0.0000 173.3734 177 G 3.8505 8.3349 106.7745 46.4193 0.0000 173.2203 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 L 8.04 4.24 0.00 1.68 1.73 0.80 0.47 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 3 A 7.92 3.77 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 4 K 8.24 3.91 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 V 7.76 3.64 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 1.11 0.00 0.00 0.94 0.00 0.00 6 L 8.62 3.99 0.00 1.86 1.70 0.86 0.95 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 7 K 8.20 4.01 0.00 2.00 2.01 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 8 K 7.90 3.98 0.00 1.96 1.89 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.80 1.65 7.81 9 R 7.92 4.42 0.00 1.85 2.13 0.00 3.45 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 10 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 11 A 8.37 4.13 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 12 V 7.49 4.55 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 0.48 0.00 0.00 0.84 0.00 0.00 13 L 8.98 5.02 0.00 1.92 1.65 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.12 5.10 0.00 1.74 1.84 0.00 2.95 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 15 G 8.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.35 4.42 0.00 2.43 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 0.00 0.00 0.00 0.00 17 F 9.23 5.20 0.00 3.10 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 18 V 8.53 4.88 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 0.87 0.00 0.00 0.98 0.00 0.00 19 L 8.83 4.85 0.00 1.65 1.56 0.91 0.78 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 20 S 8.77 4.41 0.00 3.98 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 21 S 7.90 4.22 0.00 4.00 4.03 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 22 G 8.50 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 23 R 7.68 4.25 0.00 1.76 1.88 0.00 3.13 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 24 R 8.47 4.80 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 25 S 9.35 4.97 0.00 3.94 3.81 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 26 S 9.34 5.55 0.00 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.32 5.48 1.69 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 0.49 0.00 0.00 0.50 0.00 0.00 28 Y 9.09 4.26 0.00 1.43 2.31 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 0.00 29 I 7.33 4.74 1.55 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 0.96 0.78 0.74 0.00 0.00 30 D 8.91 4.54 0.00 2.83 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 *32 R 8.59 4.47 0.00 2.16 2.04 0.00 3.20 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 33 R 7.88 4.18 0.00 2.05 2.17 0.00 3.19 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 34 L 8.03 4.07 0.00 2.13 2.06 0.97 1.06 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 35 L 8.24 4.12 0.00 1.76 1.52 0.64 -0.38 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 36 G 7.62 3.97 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 0.00 0.00 0.00 37 D 8.08 4.43 0.00 2.76 2.49 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 38 E 8.72 2.54 0.00 1.78 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.21 0.00 39 S 7.77 3.97 0.00 3.85 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 40 S 7.93 4.18 0.00 4.19 3.97 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 41 Y 8.12 4.64 0.00 3.15 3.46 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 42 S 8.08 4.36 0.00 3.91 3.97 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 43 V 7.69 3.61 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 1.02 0.00 0.00 1.03 0.00 0.00 44 A 8.10 3.95 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 45 L 8.62 4.09 0.00 2.00 1.86 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.34 4.40 0.00 2.87 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 47 L 8.03 4.04 0.00 1.82 1.67 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.11 3.94 0.00 1.87 1.70 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.16 3.99 0.00 1.87 1.73 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 L 7.92 4.20 0.00 1.95 1.80 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.32 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.14 3.99 0.00 1.74 1.66 0.92 1.01 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 79 R 8.06 3.96 0.00 2.03 2.01 0.00 3.44 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 80 L 8.00 4.39 0.00 1.66 1.71 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.59 3.75 0.00 4.04 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 82 K 8.07 4.79 0.00 1.58 1.70 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.62 7.81 83 P 0.00 4.49 0.00 2.10 1.99 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 84 L 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0.00 109 V 8.86 4.98 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 0.77 0.00 0.00 0.88 0.00 0.00 110 V 8.09 4.54 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 1.12 0.00 0.00 0.97 0.00 0.00 111 V 8.26 4.69 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 0.56 0.00 0.00 0.97 0.00 0.00 112 V 9.06 4.98 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 1.03 0.00 0.00 0.95 0.00 0.00 113 D 8.91 5.14 0.00 2.70 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.88 4.11 0.00 2.66 2.98 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 0.00 115 V 7.52 4.82 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 0.74 0.00 0.00 0.82 0.00 0.00 116 A 8.89 4.26 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 0.00 117 T 8.90 4.15 4.20 0.00 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0.00 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 I 7.92 3.72 2.03 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 1.80 0.98 0.92 0.00 0.00 127 E 8.30 3.96 0.00 2.18 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 2.34 2.55 0.00 128 V 7.78 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 129 L 8.06 4.13 0.00 1.91 1.74 0.84 0.33 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 0.00 130 R 8.03 4.38 0.00 1.85 2.02 0.00 3.13 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 131 S 8.07 4.42 0.00 3.92 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 0.00 132 N 7.71 4.99 0.00 2.97 2.92 0.00 0.00 7.11 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.23 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 4.98 0.00 3.06 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 0.00 135 T 8.59 4.91 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 1.23 0.00 0.00 136 V 8.23 4.87 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 0.67 0.00 0.00 0.97 0.00 0.00 137 G 9.00 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 0.00 0.00 0.00 0.00 138 T 7.87 5.33 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 1.20 0.00 0.00 139 A 8.93 5.10 1.19 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 0.00 0.00 140 L 9.09 5.16 0.00 1.68 1.60 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.36 5.46 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 0.87 0.00 0.00 0.88 0.00 0.00 142 L 8.40 3.81 0.00 1.50 1.40 -0.40 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.43 4.85 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 0.94 0.00 0.00 0.80 0.00 0.00 144 D 8.77 5.02 0.00 2.76 2.44 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 0.00 145 R 8.87 3.81 0.00 1.75 1.91 0.00 3.22 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 146 G 8.41 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 0.00 147 E 8.31 4.62 0.00 1.88 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 2.16 2.42 0.00 148 G 8.41 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 0.00 0.00 0.00 149 A 7.68 4.33 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 0.00 150 G 8.02 3.57 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 0.00 0.00 0.00 0.00 151 E 8.06 3.99 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 152 L 7.72 3.97 0.00 1.73 1.84 0.98 0.87 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 0.00 153 L 8.15 4.12 0.00 1.72 1.80 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.81 4.26 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 0.00 155 R 7.63 4.27 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 *157 G 8.01 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 0.00 158 V 7.97 4.53 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 0.93 0.00 0.00 0.93 0.00 0.00 159 R 9.04 4.40 0.00 1.87 1.88 0.00 3.12 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 160 L 8.46 4.84 0.00 1.65 1.52 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.96 4.65 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 0.97 0.00 0.00 0.91 0.00 0.00 162 S 8.37 5.62 0.00 3.87 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 0.00 163 V 8.49 3.81 2.19 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 0.70 0.00 0.00 0.83 0.00 0.00 164 A 8.27 4.76 1.14 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 0.00 165 T 8.17 4.82 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 1.17 0.00 0.00 166 L 8.44 3.79 0.00 1.67 1.61 0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.96 3.81 0.00 1.82 1.76 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 168 T 7.78 3.88 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 1.19 0.00 0.00 169 I 7.72 3.70 1.88 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 1.46 1.13 0.82 0.00 0.00 170 L 8.10 3.97 0.00 1.59 1.67 0.58 -0.02 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 0.00 171 E 8.24 3.97 0.00 2.07 2.19 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 2.33 2.38 0.00 172 K 7.95 4.03 0.00 2.02 1.89 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.54 7.81 173 L 7.86 4.50 0.00 1.94 1.96 1.05 0.81 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 0.00 174 G 8.21 4.03 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 0.00 0.00 0.00 175 W 8.61 3.92 0.00 3.58 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 0.00 176 G 8.60 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 0.00 0.00 0.00 177 G 8.33 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.