NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3679 8.2493 123.5822 52.4532 19.9270 176.2422 2 T 4.4908 8.3428 109.2101 60.7519 71.5283 171.9271 3 K 5.2534 8.4303 123.2360 54.6926 36.8728 176.1017 4 A 5.2987 9.2553 124.1928 50.7423 23.4009 175.1574 5 V 5.1631 8.6795 117.2447 60.6937 35.4161 173.3769 6 C 5.0073 9.5038 122.6382 57.7770 35.2545 172.6086 7 V 4.6765 8.4435 125.6485 61.2713 33.1201 174.0739 8 L 4.7932 9.1740 129.5089 54.0869 43.1547 176.3154 9 K 4.6156 9.0047 121.6855 55.5263 37.1690 176.1590 10 G 4.2808 7.9920 108.7644 44.9793 0.0000 172.0173 11 D 4.5339 8.8017 117.9422 56.0740 41.9169 177.8278 12 G 4.1731 7.6641 110.3129 44.7800 0.0000 172.6350 13 P 4.4466 0.0000 0.0000 63.7591 32.2004 176.7253 14 V 4.1769 7.6527 122.4323 63.2454 32.0354 175.6590 15 Q 4.9196 7.7905 126.0980 53.6132 32.9420 171.1046 16 G 4.3411 7.7798 106.4360 46.9775 0.0000 172.0075 17 T 5.1355 7.8142 116.3338 61.6579 72.0402 173.2156 18 I 4.6741 8.9023 127.5891 59.7688 40.3192 174.3423 19 H 5.4111 8.8572 123.1738 54.1313 31.6089 173.5531 20 F 5.3254 9.2442 119.9826 55.7804 43.1542 173.7291 21 E 5.1200 8.9764 122.2723 54.5151 33.1460 173.8905 22 A 4.7029 9.0239 129.9582 51.6128 19.4781 177.1973 23 K 4.3788 8.8303 122.2317 55.0047 35.0034 177.9512 24 G 3.8855 8.2240 116.4594 47.1729 0.0000 172.4079 25 D 4.8717 8.8471 124.0017 53.7192 41.0520 174.8661 26 T 4.8319 8.0985 110.1992 59.8187 72.8535 172.6465 27 V 4.8537 8.9018 121.0028 61.1581 35.1848 174.1156 28 V 4.5865 9.1017 128.5370 61.6926 33.0243 174.5243 29 V 4.5500 8.7484 129.7873 61.6684 33.0240 174.7652 30 T 5.6476 8.5308 117.3742 58.7747 73.0112 172.4180 31 G 4.4819 7.9464 106.1457 44.5169 0.0000 172.2646 32 S 5.0549 8.1993 112.5682 56.8144 66.8711 173.0546 33 I 4.8973 8.9107 121.9828 59.8279 40.7876 174.6608 34 T 4.8452 8.7246 115.5696 60.4610 72.6211 174.6440 35 G 3.9897 8.7982 107.2442 45.8822 0.0000 173.4554 36 L 4.3816 7.7709 120.3067 53.1948 42.7362 176.4988 37 T 4.2293 8.3521 112.8862 61.1485 69.3868 173.7277 38 E 3.9638 8.6926 126.0299 57.4488 30.3597 174.9938 39 G 3.6730 8.9867 109.5609 44.0488 0.0000 172.0858 40 D 5.2247 8.2905 118.4312 53.9313 42.0748 176.3212 41 H 4.9240 9.8116 120.2267 53.5235 32.6601 173.2089 42 G 3.9606 8.7691 110.1060 46.8681 0.0000 172.1117 43 F 5.4374 9.3064 126.7467 56.8406 41.9958 173.1384 44 H 5.0988 8.9315 122.4999 53.9073 33.9411 173.1293 45 V 4.4401 8.3900 121.2220 62.5052 32.2607 175.4180 46 H 4.8852 9.5576 126.2939 55.1513 30.1174 176.6794 47 Q 3.7678 9.0484 122.1681 58.9643 29.0833 176.4165 48 F 4.9589 8.2765 117.5982 55.2133 41.8068 176.5857 49 G 4.5407 8.4203 108.5185 44.1544 0.0000 173.9975 50 D 4.6498 8.0846 119.6840 52.7838 41.5519 174.5414 51 N 5.1896 8.7544 124.1203 52.7161 39.1476 175.6721 52 T 4.0658 8.4970 109.1279 63.4800 69.0705 174.3055 53 Q 4.6233 7.9167 122.0864 55.4067 30.0996 175.5293 54 G 3.9398 7.8936 108.8619 47.0596 0.0000 176.5844 55 C 4.5352 8.6240 117.3555 58.8815 39.3050 175.8295 56 T 3.8987 7.7261 110.6906 64.6274 68.1537 175.9928 57 S 4.4689 7.8814 113.0598 58.8221 63.5558 175.1637 58 A 4.5291 7.4239 126.8852 54.3610 18.3080 178.8877 59 G 3.8577 8.0277 105.4420 44.5366 0.0000 170.8202 60 P 4.6732 0.0000 0.0000 61.9732 33.8310 175.2792 61 H 4.5246 8.3265 116.4447 55.7073 29.4886 175.6135 62 F 4.2904 9.4447 125.2322 58.5435 40.1108 174.2177 63 N 4.7475 8.2987 125.3096 50.9367 38.8080 172.5188 64 P 4.1785 0.0000 0.0000 64.8394 32.0428 178.1155 65 L 4.3605 7.6401 116.6034 54.0411 42.1385 177.2206 66 S 3.5592 7.1834 112.9912 59.4471 60.2744 170.4667 67 K 4.6375 8.3564 121.3278 54.6906 35.1284 177.8686 68 K 4.4021 8.5547 120.3325 55.7198 33.8303 176.4539 69 H 4.0412 8.8250 123.2915 56.7255 30.2436 175.2374 70 G 3.8630 7.6197 112.4873 43.9388 0.0000 171.1642 71 G 4.1460 8.2177 108.4470 42.5285 0.0000 172.7343 72 P 4.2442 0.0000 0.0000 65.6315 31.1552 177.9833 73 K 4.1280 7.8782 116.0785 57.8167 32.3997 176.9000 74 D 4.5844 7.6108 120.7759 54.6167 41.4850 176.6932 75 E 4.1117 8.5585 116.3642 57.6444 30.6225 176.8943 76 E 4.3490 7.7939 121.8325 54.7897 28.5398 174.5899 77 R 4.9903 7.5145 119.7118 55.5809 32.5600 174.6054 78 H 4.7398 9.4835 116.2034 54.9381 29.5855 177.2304 79 V 3.3765 8.0883 121.6510 65.9790 31.6007 177.2761 80 G 3.8174 8.4330 107.0111 46.0686 0.0000 172.9619 81 D 4.7975 7.7476 120.6250 54.1141 39.4362 175.5305 82 L 4.6882 8.2938 122.0978 53.8689 43.2609 178.4064 83 G 3.9655 7.8312 112.4768 46.9851 0.0000 176.2451 84 N 5.6725 8.8564 118.6349 51.2215 42.2791 172.5116 85 V 4.4454 9.1267 114.4418 59.8649 35.5385 174.8964 86 T 5.1959 8.1681 118.5098 61.7487 71.5780 172.9839 87 A 4.4771 9.4835 130.5283 51.3195 20.3021 177.6401 88 D 4.7657 8.6337 124.8364 53.0022 41.3438 177.5882 *89 K 4.0096 8.5801 119.2738 57.9576 31.6264 173.2443 90 N 4.5578 8.4146 113.4921 53.7874 38.9035 176.0701 91 G 4.3168 8.4622 107.4879 44.5178 0.0000 172.4619 92 V 4.6230 7.8520 119.7955 61.0589 33.3962 174.1854 93 A 5.2975 9.0846 130.3244 49.5587 21.2017 175.0389 94 I 4.5111 8.2615 123.7205 59.7036 39.1509 175.3587 95 V 3.9956 8.6372 127.8247 61.8472 33.3828 174.7299 96 D 4.5750 8.2212 125.0664 53.9297 42.4042 173.9421 97 I 4.7669 8.8974 125.8248 59.0445 41.8605 174.6496 98 V 4.7197 8.4106 123.7161 61.3153 33.8074 174.0479 99 D 5.1568 9.4820 128.2084 52.0365 43.8903 174.5210 100 P 4.8844 0.0000 0.0000 62.4781 32.5309 176.1000 101 L 4.2015 8.0102 120.2894 56.6002 42.9064 176.8317 102 I 4.0781 7.9416 110.6852 60.9296 38.3631 174.8965 103 S 4.7243 8.3027 114.5721 57.1323 65.4297 174.1636 104 L 4.4352 8.4292 123.1955 54.6987 41.8354 176.1830 105 S 4.4235 7.8456 111.5845 58.3833 66.2473 175.3465 106 G 3.7344 8.6041 111.0180 45.2876 0.0000 174.1669 *107 E 3.9591 8.5420 113.4755 59.1852 29.7421 173.1653 108 Y 4.9824 7.2680 114.3534 57.8099 37.9827 175.4182 109 S 4.4040 7.7887 115.7945 58.9920 62.8727 174.1118 110 I 3.9672 8.6250 119.7402 60.2819 37.9740 175.5684 111 I 3.6782 7.0486 122.8301 63.0806 37.4001 176.5879 112 G 3.8307 9.5210 113.0267 45.3522 0.0000 172.7375 113 R 4.8212 7.4896 118.8022 54.6438 33.9619 174.4193 114 T 4.9809 7.8037 114.2655 62.2708 71.5108 173.7263 115 M 4.6701 8.5986 126.3414 54.9170 33.8052 174.9698 116 V 4.9355 9.0642 126.1059 60.9357 35.4038 174.1780 117 V 4.9925 8.4528 126.7692 60.5100 33.6503 175.0755 118 H 5.1437 10.0187 122.6702 54.1769 30.7572 175.0513 119 E 4.1751 9.3140 120.8174 59.2873 29.8559 176.9438 120 K 4.7089 8.5754 118.0070 53.5657 35.5324 174.2208 121 P 4.6433 0.0000 0.0000 62.4776 31.8739 175.9246 122 D 4.7241 10.1004 122.6912 53.9054 41.2762 176.1299 123 D 4.5442 9.5731 125.7596 53.3110 39.6264 176.7843 124 L 3.5281 9.3366 118.3288 55.9982 39.7251 175.1902 125 G 4.4888 9.1520 104.9331 46.3130 0.0000 174.7444 126 R 4.6250 8.0000 117.2701 55.7224 30.6808 176.9360 127 G 3.8085 7.6907 106.3088 44.0648 0.0000 174.5777 128 G 3.9913 8.0093 107.8760 45.5042 0.0000 172.9558 129 N 4.8028 7.4598 111.6102 51.3818 40.4050 174.5969 130 E 4.0271 8.8008 121.2975 59.3150 30.3879 178.4152 131 E 3.9020 8.3997 118.8607 59.5820 29.5006 178.5439 132 S 4.3259 9.4804 114.3194 61.3430 62.3336 175.4724 133 T 4.3223 8.0452 110.4545 62.2777 68.7429 175.8902 134 K 4.2920 7.6940 120.0256 57.8631 34.0061 176.8188 135 T 4.1799 8.0865 106.1722 60.2193 69.9738 174.9076 136 G 3.8485 7.9702 110.1730 45.9325 0.0000 173.4146 137 N 4.2730 7.6939 113.8640 53.8608 36.9379 175.8678 138 A 4.2669 7.6181 119.4801 52.4661 19.2964 180.0380 139 G 3.8055 7.2957 105.0673 44.5362 0.0000 173.6107 140 S 4.3044 7.8875 113.7661 59.2082 64.2399 174.0578 141 R 4.4531 8.3749 120.1166 55.3479 30.4975 176.3861 142 L 4.3353 8.8829 125.2096 57.2705 43.0582 177.0373 143 A 5.1975 7.7314 118.1619 51.1015 23.0151 173.8991 144 C 5.4659 8.8099 113.7563 55.7988 42.9794 172.7114 145 G 4.7143 8.1622 104.2085 46.0643 0.0000 172.4574 146 V 4.4402 8.2507 120.8823 62.1809 32.9196 175.4435 147 I 4.2162 8.6074 128.8901 60.7909 38.1901 175.2951 148 G 4.4563 8.8230 114.1526 43.8071 0.0000 172.1378 149 I 4.3577 8.3532 121.3236 61.2311 37.6151 175.5068 150 A 4.8557 8.3697 127.5724 49.4155 22.2146 176.1931 151 K 4.0694 8.5698 119.1003 56.7660 32.3165 176.8952 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 1 A 8.25 4.37 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 2 T 8.34 4.49 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 3 K 8.43 5.25 0.00 1.89 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 4 A 9.26 5.30 1.11 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 0.00 0.00 5 V 8.68 5.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 6 C 9.50 5.01 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.44 4.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 8 L 9.17 4.79 0.00 1.64 1.60 1.06 0.86 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 9 K 9.00 4.62 0.00 1.67 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 G 7.99 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 0.00 0.00 0.00 0.00 11 D 8.80 4.53 0.00 2.68 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 12 G 7.66 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 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.18 2.18 0.00 3.77 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 1.96 1.94 0.00 14 V 7.65 4.18 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 1.04 0.00 0.00 0.91 0.00 0.00 15 Q 7.79 4.92 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.77 0.00 16 G 7.78 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 0.00 0.00 0.00 0.00 17 T 7.81 5.14 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 1.18 0.00 0.00 18 I 8.90 4.67 1.92 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 1.34 1.28 0.52 0.00 0.00 19 H 8.86 5.41 0.00 3.04 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.24 5.33 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.98 5.12 0.00 2.07 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 2.23 2.30 0.00 22 A 9.02 4.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.83 4.38 0.00 1.91 1.74 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.22 7.81 24 G 8.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.85 4.87 0.00 2.72 2.68 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 26 T 8.10 4.83 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 1.23 0.00 0.00 27 V 8.90 4.85 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 1.08 0.00 0.00 1.06 0.00 0.00 28 V 9.10 4.59 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 0.87 0.00 0.00 0.96 0.00 0.00 29 V 8.75 4.55 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 0.77 0.00 0.00 1.01 0.00 0.00 30 T 8.53 5.65 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 1.18 0.00 0.00 31 G 7.95 4.48 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 0.00 32 S 8.20 5.05 0.00 3.81 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 33 I 8.91 4.90 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.95 0.00 0.00 34 T 8.72 4.85 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 1.20 0.00 0.00 35 G 8.80 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 36 L 7.77 4.38 0.00 1.84 1.48 0.81 0.62 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 37 T 8.35 4.23 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 1.24 0.00 0.00 38 E 8.69 3.96 0.00 2.06 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 2.30 2.62 0.00 39 G 8.99 3.67 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 0.00 0.00 0.00 40 D 8.29 5.22 0.00 2.54 2.77 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 41 H 9.81 4.92 0.00 2.93 3.34 0.00 5.63 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 42 G 8.77 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 0.00 0.00 0.00 43 F 9.31 5.44 0.00 2.98 2.91 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 0.00 44 H 8.93 5.10 0.00 3.12 2.99 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.39 4.44 2.17 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 0.86 0.00 0.00 0.92 0.00 0.00 46 H 9.56 4.89 0.00 3.11 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.05 3.77 0.00 1.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 1.67 2.28 0.00 48 F 8.28 4.96 0.00 3.19 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 49 G 8.42 4.54 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 0.00 0.00 0.00 50 D 8.08 4.65 0.00 2.64 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 51 N 8.75 5.19 0.00 2.68 2.74 0.00 0.00 7.37 7.70 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 52 T 8.50 4.07 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 53 Q 7.92 4.62 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 54 G 7.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.62 4.54 0.00 2.98 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 56 T 7.73 3.90 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 1.22 0.00 0.00 57 S 7.88 4.47 0.00 4.14 4.02 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 58 A 7.42 4.53 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 59 G 8.03 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 60 P 0.00 4.67 0.00 2.05 2.20 0.00 3.72 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 2.00 2.00 0.00 61 H 8.33 4.52 0.00 2.83 3.19 0.00 5.72 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 62 F 9.44 4.29 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.30 4.75 0.00 2.52 2.46 0.00 0.00 6.91 7.71 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 64 P 0.00 4.18 0.00 2.26 2.04 0.00 3.27 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.48 0.00 65 L 7.64 4.36 0.00 1.58 1.69 0.77 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.18 3.56 0.00 3.87 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 67 K 8.36 4.64 0.00 1.75 1.69 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 68 K 8.55 4.40 0.00 1.78 1.67 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.25 7.81 69 H 8.82 4.04 0.00 3.20 3.19 0.00 5.91 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 70 G 7.62 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 71 G 8.22 4.15 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 0.00 0.00 0.00 72 P 0.00 4.24 0.00 2.20 2.23 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 73 K 7.88 4.13 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 74 D 7.61 4.58 0.00 2.77 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 75 E 8.56 4.11 0.00 1.98 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 2.19 1.85 0.00 76 E 7.79 4.35 0.00 1.99 1.84 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 2.28 2.28 0.00 77 R 7.51 4.99 0.00 1.93 1.85 0.00 2.88 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 78 H 9.48 4.74 0.00 3.48 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.09 3.38 1.46 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 0.70 0.00 0.00 0.37 0.00 0.00 80 G 8.43 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 81 D 7.75 4.80 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.29 4.69 0.00 2.02 1.85 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.83 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 84 N 8.86 5.67 0.00 2.58 2.69 0.00 0.00 6.59 7.68 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 85 V 9.13 4.45 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 0.15 0.00 0.00 0.81 0.00 0.00 86 T 8.17 5.20 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 1.29 0.00 0.00 87 A 9.48 4.48 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 88 D 8.63 4.77 0.00 2.92 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 *89 K 8.58 4.01 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 90 N 8.41 4.56 0.00 2.83 2.88 0.00 0.00 7.15 7.27 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 91 G 8.46 4.32 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 0.00 0.00 0.00 92 V 7.85 4.62 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 0.94 0.00 0.00 0.92 0.00 0.00 93 A 9.08 5.30 1.12 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 0.00 0.00 94 I 8.26 4.51 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.87 0.00 0.00 95 V 8.64 4.00 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 0.72 0.00 0.00 0.52 0.00 0.00 96 D 8.22 4.58 0.00 2.65 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 97 I 8.90 4.77 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.98 0.00 0.00 98 V 8.41 4.72 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 0.94 0.00 0.00 99 D 9.48 5.16 0.00 2.80 2.50 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 0.00 100 P 0.00 4.88 0.00 2.20 2.15 0.00 3.40 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 101 L 8.01 4.20 0.00 1.50 1.79 0.42 0.86 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 0.00 102 I 7.94 4.08 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.03 0.00 0.00 103 S 8.30 4.72 0.00 4.01 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 0.00 104 L 8.43 4.44 0.00 1.77 1.72 1.00 0.73 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 0.00 105 S 7.85 4.42 0.00 3.97 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 0.00 106 G 8.60 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 *107 E 8.54 3.96 0.00 2.00 1.89 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 2.23 1.91 0.00 108 Y 7.27 4.98 0.00 3.11 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 0.00 109 S 7.79 4.40 0.00 3.82 3.75 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 0.00 110 I 8.63 3.97 1.65 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 1.40 0.26 1.03 0.00 0.00 111 I 7.05 3.68 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.84 0.00 0.00 112 G 9.52 3.83 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 0.00 0.00 0.00 113 R 7.49 4.82 0.00 1.61 1.80 0.00 2.21 0.00 0.00 2.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 114 T 7.80 4.98 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 1.22 0.00 0.00 115 M 8.60 4.67 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 116 V 9.06 4.94 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 0.70 0.00 0.00 0.76 0.00 0.00 117 V 8.45 4.99 2.30 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 0.83 0.00 0.00 1.02 0.00 0.00 118 H 10.02 5.14 0.00 3.19 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.31 4.18 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 2.37 2.33 0.00 120 K 8.58 4.71 0.00 1.74 1.69 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.55 7.81 121 P 0.00 4.64 0.00 2.04 1.97 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 122 D 10.10 4.72 0.00 2.59 2.77 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 0.00 123 D 9.57 4.54 0.00 2.92 2.90 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 0.00 124 L 9.34 3.53 0.00 1.82 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.15 4.49 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 0.00 126 R 8.00 4.62 0.00 2.22 1.90 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 127 G 7.69 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 0.00 0.00 0.00 128 G 8.01 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 0.00 129 N 7.46 4.80 0.00 2.78 2.75 0.00 0.00 6.27 7.66 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 0.00 130 E 8.80 4.03 0.00 2.02 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 2.37 2.30 0.00 131 E 8.40 3.90 0.00 2.11 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 0.00 2.38 2.51 0.00 132 S 9.48 4.33 0.00 4.00 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 0.00 133 T 8.05 4.32 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 1.30 0.00 0.00 134 K 7.69 4.29 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.46 7.81 135 T 8.09 4.18 4.15 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 1.21 0.00 0.00 136 G 7.97 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 0.00 137 N 7.69 4.27 0.00 2.99 2.86 0.00 0.00 6.94 7.20 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 0.00 138 A 7.62 4.27 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 0.00 139 G 7.30 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 0.00 0.00 0.00 140 S 7.89 4.30 0.00 3.89 4.07 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 0.00 141 R 8.37 4.45 0.00 1.68 1.83 0.00 3.22 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 142 L 8.88 4.34 0.00 1.61 1.69 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.73 5.20 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 0.00 144 C 8.81 5.47 0.00 3.01 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 0.00 145 G 8.16 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.25 4.44 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 0.78 0.00 0.00 0.95 0.00 0.00 147 I 8.61 4.22 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.42 0.38 0.00 0.00 148 G 8.82 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 0.00 0.00 0.00 0.00 149 I 8.35 4.36 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 1.26 0.54 0.91 0.00 0.00 150 A 8.37 4.86 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 0.00 151 K 8.57 4.07 0.00 1.74 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.