NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1683 8.3444 121.7154 56.0598 29.1490 173.7164 3 N 4.6272 7.9106 123.1596 50.5040 41.6292 174.0428 4 A 3.5281 9.0129 125.8846 55.3873 19.1525 179.2333 5 D 4.1695 8.2361 116.6125 57.7042 40.8021 178.6541 6 D 4.3454 7.6679 119.1460 57.5767 40.8301 178.9970 7 F 3.9621 7.9762 117.5221 60.6210 38.9491 177.4613 8 I 3.5713 7.6506 118.1312 63.6389 37.5551 177.8690 9 K 3.7240 8.1754 120.9142 59.3831 31.8799 178.8386 10 F 3.9170 8.3777 117.2173 60.6208 38.8637 176.8759 11 L 4.0256 7.9875 117.1123 54.7058 42.1809 176.3492 12 E 3.7323 7.4863 117.2854 57.3400 26.9687 174.6799 13 L 4.5085 8.1570 118.2001 54.7622 43.1914 178.3030 14 E 4.8834 9.5678 122.6495 54.2280 32.5329 175.6346 15 Q 3.9021 8.9532 122.1768 56.8082 29.5067 175.6809 16 H 4.8183 9.0071 123.3654 53.9529 31.8741 175.8775 17 V 3.6489 8.4562 125.8299 64.9319 31.3871 177.1323 18 E 4.2531 8.4593 116.0922 56.5595 29.5860 176.6537 19 G 4.1707 7.7101 106.4530 46.8515 0.0000 174.9495 20 G 3.7836 9.2978 110.6416 44.5900 0.0000 172.2501 21 F 5.4975 8.3852 116.6024 56.1217 41.8896 175.3594 22 Y 5.2581 9.6353 118.9682 56.2714 42.0202 173.1383 23 R 4.8120 8.5737 125.4963 56.2359 33.1717 174.1769 24 S 4.5855 8.7800 123.3602 59.7799 63.0925 174.1227 25 S 4.5285 8.8786 117.4585 59.9594 64.5828 173.3431 26 Y 4.8073 7.5579 115.9169 56.5957 43.1161 173.8538 27 R 3.9265 8.4152 116.5631 55.6991 32.6980 173.7467 28 S 3.2123 6.0772 121.0346 58.0558 62.8201 173.9506 29 E 4.4021 8.6358 124.4545 56.4333 29.9842 175.7911 30 T 4.5764 7.8468 116.4410 61.7168 70.8760 173.2122 31 A 4.9335 8.2489 126.0242 50.7076 21.2389 176.8009 32 F 4.7156 8.5792 124.5241 60.2226 40.1529 175.5248 33 D 4.6697 7.5519 117.6518 52.2408 44.7555 174.2581 34 P 4.6570 0.0000 0.0000 63.1971 30.6290 176.9106 35 S 4.5223 8.4604 111.5086 59.4693 64.6233 174.2247 36 R 4.7282 7.6941 119.7443 53.7859 33.2872 175.0744 37 Q 4.3994 8.3161 119.5369 54.5615 30.6193 176.6150 38 L 4.0153 8.2435 122.4675 58.1745 42.6991 176.7124 39 W 5.6250 7.5210 112.9368 56.7842 30.7750 173.3921 40 S 5.1201 9.0402 114.5125 57.4867 66.1214 172.9034 41 S 5.6067 9.0107 113.8332 57.9166 66.3582 172.7241 42 I 5.1379 8.1135 116.7442 59.9069 41.4414 173.1126 43 Y 5.0706 8.4871 120.1223 57.1364 40.3298 174.8675 44 F 5.2088 9.4433 123.8941 56.9570 43.4697 172.8440 45 L 5.8043 8.4283 127.3954 52.5463 45.3172 175.7398 46 L 5.1689 8.1127 125.0240 54.0891 45.1409 174.7151 47 R 4.6302 8.3519 115.9704 56.2578 33.2080 174.0605 48 T 4.0160 8.3348 120.6642 65.8659 68.8602 174.5006 49 G 4.0124 9.6545 113.3124 45.7061 0.0000 172.6591 50 E 4.8090 8.1384 117.2643 54.6504 33.1521 175.0582 51 V 4.5673 8.0642 114.0592 60.3576 37.1302 173.9376 52 S 4.8694 9.0987 118.1915 57.0364 62.2737 172.9813 53 H 4.6343 8.7773 123.7721 55.7556 29.4932 175.4462 54 F 4.7382 9.0605 120.2982 58.3209 39.6048 174.4132 55 H 5.1646 8.1556 116.8248 55.3422 31.9214 171.7239 56 R 5.1945 8.8903 117.5248 55.2513 33.4382 174.2851 57 L 5.8022 8.9338 124.5185 53.0572 45.1508 176.2802 58 T 4.7053 8.7311 111.9218 62.0784 67.9960 173.4131 59 A 4.8872 7.8425 120.1442 50.5662 22.4883 175.9547 60 D 4.5016 8.8198 119.4221 55.1782 42.3826 175.7093 61 E 4.8577 8.6018 121.0916 54.7976 33.4299 173.9702 *63 W 4.7888 8.4373 116.5005 57.1883 31.3061 174.3336 64 Y 4.9185 8.7975 119.4900 56.2067 41.3427 174.5512 65 F 4.5292 9.2161 127.8753 58.8018 39.6702 174.2881 66 H 4.8655 7.5252 121.1167 57.1466 31.1199 173.1601 67 A 4.0019 7.0063 116.8388 52.7418 23.5192 176.1429 68 G 3.4191 8.6768 105.3107 45.5357 0.0000 173.0668 69 Q 4.2244 7.8804 121.2882 56.6799 29.6514 178.2812 70 S 4.6786 8.5071 118.5340 58.0126 64.8052 172.9278 71 L 5.0720 8.8818 119.6082 53.3278 46.0152 175.7903 72 T 4.7096 8.3629 118.0604 61.9675 70.8713 173.5862 73 I 4.1519 8.1003 128.8301 60.2346 38.7901 175.6907 74 Y 4.5069 8.1901 125.3373 56.7277 40.6672 174.4843 *76 I 4.2789 8.0013 119.5947 61.3935 38.7236 176.5966 77 S 4.6401 8.3014 121.5014 56.5763 64.0730 173.3720 78 P 4.3684 0.0000 0.0000 65.9838 30.7984 177.1582 79 E 4.1596 8.0954 115.6872 56.9189 29.6439 177.1811 80 G 3.7833 8.3370 108.1279 44.6007 0.0000 173.4192 81 E 4.0569 8.5218 122.1370 55.6464 30.1588 175.5296 82 L 4.3342 8.3977 130.6991 54.7868 42.5337 175.6299 83 T 4.8475 8.3944 115.9515 60.1584 72.0872 172.5240 84 T 5.1495 8.2299 109.9701 60.1425 72.2678 172.9105 85 A 4.2994 7.5150 122.0214 50.5890 22.3680 175.0343 86 Q 4.5823 8.4107 121.0970 54.5811 30.8207 174.3206 87 L 4.9386 8.9036 126.7588 53.2253 44.5028 176.0952 88 G 2.9109 8.1790 114.2164 46.0601 0.0000 171.3522 89 L 4.2598 7.6934 117.2856 55.9257 42.4742 176.8421 90 D 4.6110 7.5738 119.0362 54.0831 38.6461 176.2504 91 L 3.9884 8.0495 123.1042 57.1139 42.3085 178.6314 92 A 3.9603 7.3886 117.5632 55.2160 18.1127 177.9808 93 A 4.2876 8.4785 117.9754 50.9945 19.3282 178.4197 94 G 3.8593 8.6941 107.9998 48.7051 0.0000 173.9414 95 E 3.9499 6.9152 116.2547 55.6612 30.4755 176.3387 96 R 4.5600 7.9557 119.3609 54.7973 33.9091 172.9092 97 P 5.0316 0.0000 0.0000 62.5023 32.8177 175.2852 98 Q 4.8554 7.7866 119.1669 55.0991 31.8421 173.5823 99 F 4.6537 8.8445 126.1365 56.0260 42.7717 174.5779 100 L 4.5232 6.1301 124.9178 52.9070 43.6458 175.7012 101 V 4.0181 7.9681 127.6604 59.8574 31.0396 174.1852 102 P 5.0271 0.0000 0.0000 61.6399 33.0539 175.7359 103 K 4.2840 8.6905 121.4440 58.4336 32.6261 177.0714 104 G 4.1420 8.4455 110.7735 45.2273 0.0000 173.1797 105 C 4.9121 7.3695 113.7842 56.5896 32.4482 173.4438 106 I 4.8217 8.0190 121.3197 60.0970 37.9004 175.1521 107 F 5.2780 8.9072 121.7700 55.6190 42.1471 173.6370 108 G 3.5520 7.7972 103.9587 47.1902 0.0000 171.8319 109 S 5.2258 8.4138 111.2803 57.2251 66.6225 175.8493 110 A 4.6390 8.2282 129.5833 51.7314 24.1553 179.6372 *112 N 4.6696 9.0497 114.6724 55.0976 40.3702 173.5116 113 Q 4.5378 7.6118 116.5689 54.2487 32.1733 172.9638 114 D 4.6783 8.3751 121.4036 54.4761 43.1847 178.1176 115 G 4.3014 9.5021 109.5954 44.0746 0.0000 176.5885 116 F 5.1858 8.8506 119.2799 56.4386 41.3825 172.6707 117 S 4.5955 8.6533 113.8347 56.9827 67.6016 173.1133 118 L 5.0484 8.0066 125.6927 53.3524 44.6082 175.2768 119 V 4.9850 9.0769 124.8220 61.6714 36.2254 173.3014 120 G 4.5399 9.1588 109.3675 44.8427 0.0000 171.7331 121 C 5.1566 8.3032 119.8680 57.6887 33.0831 172.7686 *123 V 3.9911 8.0588 110.8270 62.0455 32.3215 175.7057 124 S 4.3386 9.0984 121.1393 60.9365 62.2924 171.3223 125 P 4.5616 0.0000 0.0000 63.2648 32.0495 175.8837 126 G 3.9837 9.1642 112.0604 45.1457 0.0000 173.0433 127 F 4.4823 9.1393 128.5131 58.1020 40.2360 174.6395 128 T 4.2819 6.9050 116.8035 59.6096 71.5789 174.7826 129 F 4.0298 8.6101 119.1059 58.8899 38.4492 175.6358 130 D 4.7582 7.6005 119.5333 54.8972 41.2317 176.5403 131 D 5.1007 8.2391 119.2633 53.6966 42.5921 174.9839 132 F 5.4829 8.1912 119.7706 56.7164 42.7872 174.2387 133 E 4.1780 7.5217 124.8219 55.1117 32.9172 174.2372 134 L 4.6797 7.9389 128.9419 53.6832 44.4031 175.2655 135 F 4.8898 8.3895 119.0103 54.6436 42.8881 175.6498 136 S 4.3661 8.6284 118.5425 58.0735 63.9618 174.9186 137 Q 4.0107 8.6596 128.4018 59.2972 28.8668 178.7371 138 E 3.9721 8.2336 118.8600 59.3703 29.3784 178.8622 139 A 3.9903 7.9545 118.5185 55.3450 18.6934 179.2843 140 L 4.0307 7.9610 114.5986 56.5535 41.8215 178.6719 141 L 4.4142 7.4636 118.7463 56.4386 42.0502 178.5885 142 A 4.0770 7.3332 115.1099 52.9999 19.2693 177.7891 *144 Y 5.0243 7.4754 115.9824 59.0097 39.0512 174.4601 145 P 4.5928 0.0000 0.0000 64.4865 32.4418 178.9785 146 Q 4.1679 8.1251 115.4050 58.2188 28.5224 176.8418 147 H 5.0113 7.6753 115.3620 55.1406 29.9943 175.7368 148 K 3.7816 8.1504 121.5130 59.9935 31.6151 177.4792 149 A 4.0182 8.0362 118.8852 55.2173 18.4405 179.6040 150 V 3.5947 7.6407 116.8169 65.0916 31.5996 178.5254 151 V 3.5761 7.9777 119.7866 65.4753 30.9629 177.3615 152 Q 3.8727 8.1426 117.7389 57.7284 29.0500 176.8727 153 K 4.4659 8.0365 117.6145 56.3933 33.0264 176.7144 154 L 4.7154 7.4000 119.3351 53.8179 42.4091 175.6615 155 S 5.1880 7.9664 112.3888 57.4467 67.1758 173.8218 156 R 4.9041 8.5707 121.4714 53.3794 33.4151 173.5522 157 P 4.6775 0.0000 0.0000 63.9769 32.3194 176.1752 158 E 4.1090 10.1235 121.2683 57.0856 29.8874 174.4346 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 Q 8.34 4.17 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 3 N 7.91 4.63 0.00 2.78 2.66 0.00 0.00 6.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 9.01 3.53 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 5 D 8.24 4.17 0.00 2.61 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 6 D 7.67 4.35 0.00 2.68 2.80 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 7 F 7.98 3.96 0.00 3.12 2.94 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 8 I 7.65 3.57 1.35 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 1.09 0.97 0.62 0.00 0.00 9 K 8.18 3.72 0.00 1.63 1.63 0.00 1.47 0.00 0.00 1.31 0.00 0.00 2.53 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.78 1.17 7.81 10 F 8.38 3.92 0.00 2.97 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 11 L 7.99 4.03 0.00 1.66 1.47 0.12 0.54 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 12 E 7.49 3.73 0.00 2.02 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 2.18 2.32 0.00 13 L 8.16 4.51 0.00 1.43 1.70 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.57 4.88 0.00 1.48 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 2.06 2.14 0.00 15 Q 8.95 3.90 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.07 2.39 0.00 16 H 9.01 4.82 0.00 3.18 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.46 3.65 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 0.93 0.00 0.00 1.03 0.00 0.00 18 E 8.46 4.25 0.00 2.38 2.53 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 2.10 2.36 0.00 19 G 7.71 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 20 G 9.30 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 21 F 8.39 5.50 0.00 2.81 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 22 Y 9.64 5.26 0.00 3.35 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 23 R 8.57 4.81 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.54 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 24 S 8.78 4.59 0.00 3.82 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 25 S 8.88 4.53 0.00 3.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.56 4.81 0.00 3.27 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 27 R 8.42 3.93 0.00 1.67 1.64 0.00 3.25 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 28 S 6.08 3.21 0.00 2.72 3.27 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 29 E 8.64 4.40 0.00 1.98 1.93 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 2.21 2.26 0.00 30 T 7.85 4.58 4.30 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 1.28 0.00 0.00 31 A 8.25 4.93 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 32 F 8.58 4.72 0.00 2.90 3.28 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 33 D 7.55 4.67 0.00 2.64 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.66 0.00 2.02 2.05 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 35 S 8.46 4.52 0.00 3.91 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 36 R 7.69 4.73 0.00 2.01 1.96 0.00 3.20 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 37 Q 8.32 4.40 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 38 L 8.24 4.02 0.00 1.88 1.79 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.52 5.62 0.00 3.44 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 40 S 9.04 5.12 0.00 3.94 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 41 S 9.01 5.61 0.00 4.01 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 0.00 42 I 8.11 5.14 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 1.32 0.56 1.02 0.00 0.00 43 Y 8.49 5.07 0.00 2.95 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 44 F 9.44 5.21 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.43 5.80 0.00 1.60 1.36 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.11 5.17 0.00 1.75 1.73 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.35 4.63 0.00 1.95 1.88 0.00 3.41 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 48 T 8.33 4.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 G 9.65 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 50 E 8.14 4.81 0.00 2.41 1.90 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 2.34 2.59 0.00 51 V 8.06 4.57 2.24 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 0.86 0.00 0.00 0.77 0.00 0.00 52 S 9.10 4.87 0.00 4.25 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 53 H 8.78 4.63 0.00 3.30 3.40 0.00 5.92 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 54 F 9.06 4.74 0.00 2.96 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 55 H 8.16 5.16 0.00 2.84 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.89 5.19 0.00 2.18 2.03 0.00 3.22 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.03 0.00 57 L 8.93 5.80 0.00 1.99 1.95 1.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.73 4.71 4.33 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 1.33 0.00 0.00 59 A 7.84 4.89 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 60 D 8.82 4.50 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.60 4.86 0.00 2.21 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 0.00 2.34 2.34 0.00 *63 W 8.44 4.79 0.00 3.48 3.32 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 64 Y 8.80 4.92 0.00 2.88 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 65 F 9.22 4.53 0.00 3.14 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 66 H 7.53 4.87 0.00 2.99 3.21 0.00 5.79 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 67 A 7.01 4.00 1.21 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 68 G 8.68 3.42 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 0.00 69 Q 7.88 4.22 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 70 S 8.51 4.68 0.00 3.88 3.71 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 71 L 8.88 5.07 0.00 1.61 1.59 1.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.36 4.71 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 0.25 0.00 0.00 73 I 8.10 4.15 1.09 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.15 0.38 0.00 0.00 74 Y 8.19 4.51 0.00 2.72 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 *76 I 8.00 4.28 1.41 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.26 -0.04 0.00 0.00 77 S 8.30 4.64 0.00 4.13 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 78 P 0.00 4.37 0.00 2.25 2.30 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 79 E 8.10 4.16 0.00 1.98 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 2.33 2.39 0.00 80 G 8.34 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 81 E 8.52 4.06 0.00 2.02 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 2.28 2.24 0.00 82 L 8.40 4.33 0.00 1.18 1.47 0.99 0.95 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 83 T 8.39 4.85 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 1.17 0.00 0.00 84 T 8.23 5.15 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 0.90 0.00 0.00 85 A 7.52 4.30 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.41 4.58 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 87 L 8.90 4.94 0.00 1.63 1.54 1.11 1.29 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 88 G 8.18 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 0.00 0.00 0.00 89 L 7.69 4.26 0.00 1.51 1.67 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.57 4.61 0.00 2.61 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 91 L 8.05 3.99 0.00 1.64 1.69 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.39 3.96 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 93 A 8.48 4.29 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 94 G 8.69 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 95 E 6.92 3.95 0.00 2.10 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 2.21 2.14 0.00 96 R 7.96 4.56 0.00 1.86 1.70 0.00 3.19 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 97 P 0.00 5.03 0.00 2.19 2.14 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 98 Q 7.79 4.86 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 1.85 2.16 0.00 99 F 8.84 4.65 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 6.13 4.52 0.00 1.31 1.02 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.97 4.02 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.52 0.00 0.00 102 P 0.00 5.03 0.00 2.10 2.12 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 103 K 8.69 4.28 0.00 1.89 2.10 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.84 1.44 7.81 104 G 8.45 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 0.00 105 C 7.37 4.91 0.00 3.35 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 0.00 106 I 8.02 4.82 1.71 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.77 0.00 0.00 107 F 8.91 5.28 0.00 3.06 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 0.00 108 G 7.80 3.55 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 0.00 109 S 8.41 5.23 0.00 3.76 3.79 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 0.00 110 A 8.23 4.64 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 *112 N 9.05 4.67 0.00 2.74 2.92 0.00 0.00 6.45 7.69 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 0.00 113 Q 7.61 4.54 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 114 D 8.38 4.68 0.00 2.75 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 0.00 115 G 9.50 4.30 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 0.00 0.00 0.00 116 F 8.85 5.19 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.65 4.60 0.00 3.87 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 0.00 118 L 8.01 5.05 0.00 1.11 1.11 0.80 0.48 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 0.00 119 V 9.08 4.98 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 1.01 0.00 0.00 1.12 0.00 0.00 120 G 9.16 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 0.00 121 C 8.30 5.16 0.00 2.54 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 *123 V 8.06 3.99 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 1.07 0.00 0.00 1.14 0.00 0.00 124 S 9.10 4.34 0.00 3.90 3.64 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 0.00 125 P 0.00 4.56 0.00 1.97 1.96 0.00 3.71 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 1.83 1.29 0.00 126 G 9.16 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.14 4.48 0.00 2.95 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 0.00 128 T 6.90 4.28 4.12 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 1.17 0.00 0.00 129 F 8.61 4.03 0.00 3.01 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 0.00 130 D 7.60 4.76 0.00 2.64 2.70 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 0.00 131 D 8.24 5.10 0.00 2.57 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.19 5.48 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.52 4.18 0.00 1.81 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 0.00 1.47 1.76 0.00 134 L 7.94 4.68 0.00 1.62 1.48 1.16 0.82 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 0.00 135 F 8.39 4.89 0.00 2.99 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 0.00 136 S 8.63 4.37 0.00 3.93 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 0.00 137 Q 8.66 4.01 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 138 E 8.23 3.97 0.00 2.11 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 2.41 2.46 0.00 139 A 7.95 3.99 1.41 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 0.00 0.00 0.00 140 L 7.96 4.03 0.00 1.62 1.66 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.46 4.41 0.00 2.00 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.33 4.08 1.28 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 *144 Y 7.48 5.02 0.00 2.98 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 0.00 145 P 0.00 4.59 0.00 2.16 2.07 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 146 Q 8.13 4.17 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.97 0.00 0.00 0.00 0.00 0.00 1.78 2.09 0.00 147 H 7.68 5.01 0.00 3.17 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.15 3.78 0.00 1.85 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 149 A 8.04 4.02 1.32 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 0.00 150 V 7.64 3.59 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 0.85 0.00 0.00 0.68 0.00 0.00 151 V 7.98 3.58 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 0.99 0.00 0.00 0.83 0.00 0.00 152 Q 8.14 3.87 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 153 K 8.04 4.47 0.00 1.63 1.77 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 154 L 7.40 4.72 0.00 1.86 1.37 0.15 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.97 5.19 0.00 4.03 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 0.00 156 R 8.57 4.90 0.00 1.74 1.80 0.00 3.14 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 157 P 0.00 4.68 0.00 2.09 2.08 0.00 3.89 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 2.01 2.03 0.00 158 E 10.12 4.11 0.00 2.07 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 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.