NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3186 8.3044 120.3346 55.4522 33.8119 175.5730 2 D 4.5476 7.8685 123.1319 52.8475 39.3832 174.4263 3 F 5.1077 8.7914 120.6618 57.3613 41.0029 175.3377 4 R 4.9413 9.2405 119.9251 54.5730 34.6340 174.1888 5 I 4.9892 8.4562 114.8624 59.2972 41.0904 174.4184 6 G 4.3857 8.9691 109.8513 44.7079 0.0000 171.3072 7 Q 5.2372 8.6696 117.8174 54.2700 31.9143 174.4810 8 G 4.4198 9.2882 107.6734 44.9160 0.0000 170.6736 9 Y 5.4034 8.5177 121.2901 55.9435 41.9344 173.6451 10 D 4.6457 8.3908 124.2649 53.0051 45.3575 174.0741 11 V 4.6639 7.6990 121.5289 60.7699 34.5522 173.4405 12 H 5.0066 8.7900 118.2553 54.0669 33.6187 172.8963 13 Q 4.6708 8.6745 119.4738 56.0612 30.1661 174.9470 14 L 5.0566 8.4379 123.0936 53.8666 42.8481 176.5906 15 V 4.7300 8.9977 116.8665 58.7400 36.4122 173.3405 16 P 4.5876 0.0000 0.0000 62.0109 32.2579 176.4705 17 G 4.1620 7.8700 107.6336 44.5721 0.0000 173.3355 18 R 4.1466 7.3982 118.7278 55.1820 31.4591 175.0101 19 P 4.4336 0.0000 0.0000 62.8467 32.5380 175.6748 20 L 4.4284 8.5480 124.8498 54.2644 42.9277 175.0102 21 I 5.0383 8.2477 127.5466 59.5713 40.4791 175.0684 22 I 4.7497 8.3402 127.6220 60.5542 40.1972 175.8283 23 G 3.9849 10.0516 112.8948 46.5783 0.0000 175.0968 24 G 3.8851 8.9243 107.2558 44.9451 0.0000 174.3227 25 V 4.1232 7.4951 120.6520 61.3407 32.5878 174.5942 26 T 4.6966 8.4367 124.4353 63.3653 69.0147 173.9085 27 I 4.3586 8.4363 128.4012 58.4964 39.1989 174.1138 28 P 4.3947 0.0000 0.0000 63.2061 30.6850 175.2609 29 Y 4.7192 8.1861 122.3407 56.8610 41.2752 174.2697 30 E 3.8296 7.8448 122.4984 57.9829 30.1090 176.1623 31 R 4.8308 6.8780 117.8156 54.7898 34.9258 173.7396 32 G 4.4447 8.8047 106.3591 44.4538 0.0000 171.4809 33 L 4.9633 8.3940 119.4975 53.9711 42.7459 176.5925 34 L 4.4080 8.4842 126.0327 54.1172 42.9451 175.9022 35 G 4.0566 8.1015 113.4209 45.3535 0.0000 172.8178 36 H 4.3405 8.9266 116.4961 58.5482 29.0913 176.5540 37 S 4.6044 7.6785 113.3616 57.5553 64.9843 173.4195 38 D 4.3628 8.7085 119.0553 54.2178 39.2171 175.6839 39 A 3.4136 7.7919 121.7177 53.4971 16.5791 178.6164 40 D 4.6861 7.6433 121.1822 54.9605 40.4598 175.9482 41 V 3.9027 7.9854 122.0818 63.3398 31.7281 177.9329 42 L 3.9073 7.8039 119.5708 58.2717 42.0559 178.8877 43 L 4.0360 8.1036 118.9114 57.9839 41.4220 179.3327 44 H 4.2885 8.4525 116.1703 58.8686 28.6956 177.5890 45 A 4.0316 8.1349 122.5416 55.2872 18.1939 179.8235 46 I 3.6689 7.8560 118.2331 64.6969 37.1380 178.6202 47 T 3.6897 8.1399 116.8583 66.8675 68.2771 176.2594 48 D 4.5024 8.3826 120.4158 57.4343 40.8512 178.7417 49 A 4.0735 8.1802 121.2231 55.1160 18.3681 179.7887 50 L 3.8660 7.9617 117.4658 57.9480 41.6795 179.6385 51 F 4.5512 8.1860 118.0034 60.4739 38.8790 177.9924 52 G 3.6049 8.4800 105.3304 47.8463 0.0000 175.6714 53 A 4.1711 8.1840 123.3958 53.7934 18.4784 178.6863 54 A 3.1626 7.6434 116.0463 50.8543 19.5181 176.7623 55 A 3.6839 7.5007 119.0378 53.5035 16.5855 177.9145 56 L 4.6213 8.5629 117.6031 55.4479 43.5249 177.1196 57 G 3.9563 9.3267 108.1430 43.9698 0.0000 176.6832 58 D 4.6533 8.0454 125.8891 50.8817 43.0039 175.1403 59 I 3.8258 8.9428 119.6854 64.0425 37.6667 177.7708 60 G 3.7340 8.1091 105.1759 47.9981 0.0000 174.9746 61 R 3.9231 8.3292 120.3633 59.4009 30.1656 177.9599 62 H 4.0263 7.5449 114.5013 59.1288 29.1344 174.7649 63 F 5.1642 8.3068 118.9645 55.5759 41.9299 173.2676 *74 D 4.4235 8.2764 121.0941 54.2442 41.5730 175.9401 75 S 4.1977 8.6317 114.3838 61.4636 62.4847 177.2455 76 R 3.8835 8.0046 120.6324 58.9859 29.8962 178.5339 77 A 3.9335 8.5357 120.8899 55.1657 18.2826 179.6770 78 L 3.4526 7.7258 117.4765 57.6192 41.5198 179.5545 79 L 3.9258 8.0926 120.4158 58.1913 42.0585 179.2138 80 R 3.8963 8.2363 118.3275 59.1647 29.8803 178.7170 81 E 4.0063 8.3766 119.2054 59.2325 29.5960 178.1430 82 C 3.9818 8.5805 118.9904 62.6603 31.5321 175.3777 83 A 3.9258 8.1139 122.2376 55.2797 17.8617 179.4783 84 S 4.0765 8.1044 111.4427 61.7623 62.3733 176.7171 85 R 4.0325 8.3933 120.9361 59.1778 29.9091 179.2505 86 V 3.7320 8.2567 118.2486 66.0127 31.4642 178.0208 87 A 4.4189 8.2357 121.9633 54.6789 17.9804 179.2884 88 Q 3.9169 8.2281 117.2200 59.1382 29.2078 177.7120 89 A 4.3676 7.7740 118.8936 52.4380 18.5817 177.9709 90 G 3.6950 8.4558 106.9505 44.8808 0.0000 172.8934 91 F 5.0572 7.9985 117.5431 55.7389 41.4478 174.6388 92 A 4.8726 9.1431 123.9035 50.2628 21.7382 175.7458 93 I 4.2464 8.3448 122.2313 61.2571 37.6287 175.9263 94 R 4.5287 9.0766 126.9178 58.1335 31.2986 176.2929 95 N 4.9859 7.6472 113.3009 52.0907 40.6852 173.4595 96 V 4.9678 8.7298 119.2898 61.2511 35.1382 173.7271 97 D 5.5204 8.9432 126.1796 52.8976 44.9015 174.2048 98 S 5.1063 8.2694 115.7094 58.0147 67.0354 173.2629 99 T 4.9607 8.9869 116.7216 62.0649 72.9081 172.9897 100 I 4.7794 8.8997 126.6655 59.5995 40.2759 174.6717 101 I 4.9598 8.8832 127.5475 59.6281 39.1517 174.5606 102 A 4.7962 8.7657 128.8309 50.3364 22.0609 176.8897 103 Q 3.8665 8.9949 123.2417 58.8306 29.6081 175.8059 104 A 4.4233 7.2138 117.0515 50.2216 21.7346 173.7871 105 P 4.4675 0.0000 0.0000 61.5185 32.5916 176.0343 106 K 4.0520 8.3920 118.0859 56.8265 32.1718 177.7995 107 L 4.5020 8.4080 122.5429 55.2513 42.3229 178.4146 108 A 3.9651 7.9810 121.1232 54.8954 18.0546 177.6205 109 P 4.1912 0.0000 0.0000 64.9112 31.7687 177.3928 110 H 4.7581 8.1268 114.0841 56.0617 29.3257 176.9357 111 I 3.7178 7.4363 122.8529 64.5232 36.9390 177.8820 112 D 4.3475 8.0958 118.9851 57.3269 40.6945 178.5721 113 A 4.0658 7.9497 120.8338 55.1287 18.3914 179.4727 114 M 4.2646 7.9687 118.7200 58.0573 31.9615 178.8765 115 R 3.8438 8.1736 118.6547 59.3103 30.2595 178.3592 116 A 3.9748 8.0370 120.5578 55.2372 18.3794 179.3748 117 N 4.2805 8.2578 114.8990 56.5069 38.6320 177.7505 118 I 3.6680 7.9565 120.9959 64.3222 37.1376 178.2859 119 A 3.9732 8.2861 121.6329 55.1374 18.0439 179.5412 120 A 3.9192 8.1057 119.1601 55.5483 18.2674 179.6992 121 D 4.3162 8.1211 116.2196 56.7331 40.9755 177.9744 122 L 4.3519 7.9152 116.6825 53.2720 42.8804 175.6217 123 D 4.3645 7.5875 117.8037 55.6915 39.9895 172.8619 124 L 4.8752 7.8976 117.1478 51.8863 45.3506 175.5882 125 P 4.5210 0.0000 0.0000 62.3227 32.3257 177.3881 126 L 4.0050 8.5354 119.7178 58.0339 41.6279 178.8423 127 D 4.5748 8.0724 115.0984 54.7438 39.6056 176.4557 128 R 4.6061 8.1831 118.7960 55.9842 31.6382 175.3262 129 V 4.8199 7.8881 119.4016 61.0499 33.8155 174.3583 130 N 5.0979 9.0343 125.3860 51.8284 42.6425 172.9637 131 V 4.9930 8.3127 124.0485 59.9659 34.4386 174.4651 132 K 4.8152 8.9691 126.4371 54.4911 35.4389 174.8460 133 A 5.2478 8.4986 123.8808 50.2659 21.6988 175.7191 134 K 4.7516 8.9493 119.9831 54.9976 37.1320 176.2329 135 T 4.7490 8.3631 112.9552 59.7215 71.3545 173.6566 136 N 4.7692 8.6113 116.4494 52.9115 39.0661 174.0611 137 E 3.8475 8.6205 112.8404 56.9995 27.6319 175.4286 138 K 4.0655 8.2727 113.0420 57.1367 30.6922 175.5600 139 L 4.4272 7.8518 119.8101 54.0556 43.3206 178.3328 140 G 4.0313 8.5097 112.5230 45.1050 0.0000 173.0702 141 Y 4.3306 8.1747 115.8170 60.1811 37.7477 178.3011 142 L 4.1033 7.1037 120.4737 57.6495 41.6384 179.5070 143 G 3.6706 7.9066 104.0932 47.0849 0.0000 175.0222 144 R 4.3990 8.0038 118.1217 55.6535 30.3653 176.7468 145 G 3.9618 7.8777 106.8490 46.6834 0.0000 174.8564 146 E 4.2908 8.5302 120.8148 57.5390 30.0098 176.1359 147 G 4.6444 7.5640 103.6676 45.5589 0.0000 172.4388 148 I 4.9474 8.6036 119.9660 59.3153 41.0218 174.6711 149 E 5.0758 8.8709 126.3197 54.3791 32.7923 174.3704 150 A 5.2905 8.7692 125.7799 50.2822 22.8640 175.0062 151 Q 5.3113 9.1210 118.9687 54.2691 32.7733 174.5955 152 A 5.2312 9.0376 122.4385 50.5718 23.4113 174.9043 153 A 5.2465 9.2615 120.6448 50.2135 22.9979 175.2336 154 A 5.0650 8.9330 121.4351 50.1479 23.2867 174.7181 155 L 5.1354 8.8037 123.2457 53.4238 44.7765 175.8069 156 V 5.2356 8.8876 118.6257 59.6709 36.4581 174.7001 157 V 4.9213 8.9147 120.3388 60.3437 34.9651 175.2420 158 R 4.5225 8.5493 122.6612 55.6875 29.5272 175.6467 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 M 8.30 4.32 0.00 1.32 2.11 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 2 D 7.87 4.55 0.00 2.85 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 3 F 8.79 5.11 0.00 2.97 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 4 R 9.24 4.94 0.00 1.63 1.75 0.00 3.30 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 5 I 8.46 4.99 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 1.29 0.95 0.92 0.00 0.00 6 G 8.97 4.39 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 0.00 0.00 0.00 7 Q 8.67 5.24 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 8 G 9.29 4.42 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 9 Y 8.52 5.40 0.00 2.93 2.81 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 10 D 8.39 4.65 0.00 2.76 2.46 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 11 V 7.70 4.66 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 0.73 0.00 0.00 1.06 0.00 0.00 12 H 8.79 5.01 0.00 3.05 3.25 0.00 5.61 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 13 Q 8.67 4.67 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 14 L 8.44 5.06 0.00 1.60 1.71 1.05 0.87 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 15 V 9.00 4.73 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 0.75 0.00 0.00 0.99 0.00 0.00 16 P 0.00 4.59 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 17 G 7.87 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 18 R 7.40 4.15 0.00 1.89 1.86 0.00 3.29 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 19 P 0.00 4.43 0.00 2.07 2.05 0.00 3.75 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 1.98 1.96 0.00 20 L 8.55 4.43 0.00 2.10 1.85 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.25 5.04 1.83 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 1.32 0.91 0.88 0.00 0.00 22 I 8.34 4.75 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.87 0.00 0.00 23 G 10.05 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 24 G 8.92 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 V 7.50 4.12 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.44 4.70 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 27 I 8.44 4.36 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.61 0.77 0.00 0.00 28 P 0.00 4.39 0.00 1.99 2.04 0.00 3.73 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 2.07 2.11 0.00 29 Y 8.19 4.72 0.00 2.89 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 30 E 7.84 3.83 0.00 1.91 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 1.60 1.96 0.00 31 R 6.88 4.83 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 32 G 8.80 4.44 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 0.00 33 L 8.39 4.96 0.00 1.50 1.56 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.48 4.41 0.00 1.64 1.58 0.90 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 35 G 8.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.93 4.34 0.00 3.21 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.68 4.60 0.00 4.00 3.95 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 38 D 8.71 4.36 0.00 2.76 2.81 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 39 A 7.79 3.41 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 40 D 7.64 4.69 0.00 2.78 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 41 V 7.99 3.90 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 1.26 0.00 0.00 0.90 0.00 0.00 42 L 7.80 3.91 0.00 1.72 1.76 0.91 0.65 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 43 L 8.10 4.04 0.00 1.73 1.71 0.95 1.14 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 44 H 8.45 4.29 0.00 3.44 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.13 4.03 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 46 I 7.86 3.67 1.98 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 1.51 1.00 0.88 0.00 0.00 47 T 8.14 3.69 4.47 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 1.22 0.00 0.00 48 D 8.38 4.50 0.00 3.08 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 49 A 8.18 4.07 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 50 L 7.96 3.87 0.00 1.61 1.53 0.81 0.81 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 51 F 8.19 4.55 0.00 3.04 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 52 G 8.48 3.60 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 0.00 0.00 0.00 53 A 8.18 4.17 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 54 A 7.64 3.16 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 55 A 7.50 3.68 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.56 4.62 0.00 1.78 1.70 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.33 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 58 D 8.05 4.65 0.00 3.08 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 59 I 8.94 3.83 2.24 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.42 1.01 0.00 0.00 60 G 8.11 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 61 R 8.33 3.92 0.00 1.75 1.97 0.00 3.13 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 62 H 7.54 4.03 0.00 2.10 1.86 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.31 5.16 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 D 8.28 4.42 0.00 3.15 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 75 S 8.63 4.20 0.00 3.88 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 76 R 8.00 3.88 0.00 1.95 2.05 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 77 A 8.54 3.93 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 78 L 7.73 3.45 0.00 1.73 1.33 0.81 -0.35 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 79 L 8.09 3.93 0.00 1.82 1.79 0.86 0.83 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 80 R 8.24 3.90 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 81 E 8.38 4.01 0.00 2.22 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 0.00 2.56 2.72 0.00 82 C 8.58 3.98 0.00 2.85 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 83 A 8.11 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.10 4.08 0.00 3.96 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 85 R 8.39 4.03 0.00 2.27 2.15 0.00 3.39 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 86 V 8.26 3.73 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 1.08 0.00 0.00 0.93 0.00 0.00 87 A 8.24 4.42 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 88 Q 8.23 3.92 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 89 A 7.77 4.37 1.60 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 0.00 0.00 90 G 8.46 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 0.00 0.00 0.00 91 F 8.00 5.06 0.00 3.19 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 92 A 9.14 4.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.34 4.25 1.89 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 1.35 0.62 0.92 0.00 0.00 94 R 9.08 4.53 0.00 1.89 2.06 0.00 3.47 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 95 N 7.65 4.99 0.00 2.86 2.87 0.00 0.00 5.60 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 96 V 8.73 4.97 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 8.94 5.52 0.00 2.79 2.43 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 98 S 8.27 5.11 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.99 4.96 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 1.21 0.00 0.00 100 I 8.90 4.78 1.85 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 1.20 0.68 0.87 0.00 0.00 101 I 8.88 4.96 1.86 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 1.16 1.23 0.92 0.00 0.00 102 A 8.77 4.80 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 0.00 103 Q 8.99 3.87 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 104 A 7.21 4.42 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 0.00 105 P 0.00 4.47 0.00 2.10 1.98 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 106 K 8.39 4.05 0.00 1.76 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 107 L 8.41 4.50 0.00 1.65 1.68 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.98 3.97 1.30 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 0.00 109 P 0.00 4.19 0.00 1.72 2.01 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 110 H 8.13 4.76 0.00 3.33 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.44 3.72 1.86 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 1.52 0.84 0.94 0.00 0.00 112 D 8.10 4.35 0.00 2.75 2.71 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 0.00 113 A 7.95 4.07 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 0.00 114 M 7.97 4.26 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 115 R 8.17 3.84 0.00 1.97 2.09 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 116 A 8.04 3.97 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 0.00 117 N 8.26 4.28 0.00 2.99 2.86 0.00 0.00 7.07 6.97 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 0.00 118 I 7.96 3.67 1.86 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 1.44 0.74 0.90 0.00 0.00 119 A 8.29 3.97 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 0.00 120 A 8.11 3.92 1.39 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 0.00 0.00 121 D 8.12 4.32 0.00 2.78 2.73 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 0.00 122 L 7.92 4.35 0.00 1.61 1.69 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.59 4.36 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 0.00 124 L 7.90 4.88 0.00 1.62 1.52 0.92 1.31 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 0.00 125 P 0.00 4.52 0.00 2.34 2.18 0.00 3.71 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 2.18 1.99 0.00 126 L 8.54 4.00 0.00 1.73 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.07 4.57 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 0.00 128 R 8.18 4.61 0.00 1.91 2.07 0.00 3.08 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.89 4.82 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.03 5.10 0.00 2.84 2.77 0.00 0.00 6.25 7.84 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 0.00 131 V 8.31 4.99 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 8.97 4.82 0.00 1.80 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.48 7.81 133 A 8.50 5.25 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 0.00 134 K 8.95 4.75 0.00 1.61 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.36 4.75 4.38 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 1.19 0.00 0.00 136 N 8.61 4.77 0.00 2.74 2.70 0.00 0.00 6.99 7.65 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 0.00 137 E 8.62 3.85 0.00 2.13 1.97 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 2.24 2.39 0.00 138 K 8.27 4.07 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 139 L 7.85 4.43 0.00 1.79 1.52 0.90 0.65 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 0.00 140 G 8.51 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 0.00 141 Y 8.17 4.33 0.00 3.32 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.10 4.10 0.00 1.52 1.68 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.91 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 0.00 144 R 8.00 4.40 0.00 1.87 2.02 0.00 3.29 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 1.66 1.84 0.00 145 G 7.88 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 0.00 146 E 8.53 4.29 0.00 2.36 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 0.00 2.35 2.32 0.00 147 G 7.56 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 0.00 148 I 8.60 4.95 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.04 0.94 0.00 0.00 149 E 8.87 5.08 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 2.18 2.14 0.00 150 A 8.77 5.29 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 0.00 151 Q 9.12 5.31 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 152 A 9.04 5.23 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 0.00 153 A 9.26 5.25 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 0.00 154 A 8.93 5.06 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 0.00 0.00 155 L 8.80 5.14 0.00 1.77 1.67 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.89 5.24 1.97 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 0.65 0.00 0.00 0.69 0.00 0.00 157 V 8.91 4.92 1.72 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 0.68 0.00 0.00 0.22 0.00 0.00 158 R 8.55 4.52 0.00 1.23 1.84 0.00 3.15 0.00 0.00 2.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.00 * Residues marked with a * may have inaccurate shift predictions.