NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2084 8.2745 112.9194 60.3169 70.1430 173.9284 *3 T 3.8925 8.2583 112.4569 60.7731 67.9315 172.1760 4 P 4.5469 0.0000 0.0000 60.2843 33.0585 174.7513 5 P 4.2964 0.0000 0.0000 62.5896 31.5396 176.0266 6 A 4.1660 8.5140 122.4602 52.7801 18.7081 177.9502 7 R 4.1562 8.8238 122.4681 55.7494 31.0351 177.6391 8 T 4.0947 8.3243 111.8322 61.4478 70.7279 175.3603 9 A 3.9824 8.4667 123.4729 55.2620 18.4779 179.7957 10 K 3.7868 8.0529 117.6063 59.9443 32.1894 178.5887 11 Q 3.9916 8.0371 119.3677 59.0495 28.9168 178.0964 12 R 3.9419 8.6065 119.6340 59.1769 30.0526 179.1594 13 I 3.5512 7.9159 119.6539 64.3101 37.1361 178.1271 14 Q 3.8543 7.8814 120.3667 59.3802 28.8637 178.1895 15 D 4.3593 8.3530 120.0528 57.6127 40.7449 178.9586 16 T 3.8674 8.2797 116.5981 66.6157 68.4818 176.6056 17 L 3.9327 8.1431 121.2447 58.0053 41.6374 179.3909 18 N 4.3695 8.2653 116.2763 56.2825 38.3685 177.4686 19 R 3.9139 8.1287 120.0682 59.4724 29.9889 178.5952 20 L 4.1582 7.8429 119.2939 57.3596 41.5511 179.0963 21 E 4.3558 8.1987 117.7844 58.7223 29.4583 178.7616 22 L 4.1695 7.6549 119.8061 57.0213 42.9878 177.0824 23 D 4.5507 7.9090 118.9543 54.5059 41.6521 177.0112 24 V 3.7133 8.2688 121.0591 63.9274 33.2509 175.2079 25 D 5.6483 8.0890 117.6393 52.3997 43.7072 175.7479 26 A 4.9881 9.1030 122.3115 49.8608 23.1288 175.3515 27 W 4.3808 9.2529 121.6072 56.4408 30.7057 175.5707 28 V 4.6492 9.2050 126.1471 61.3370 33.0966 174.0324 29 S 5.4153 9.3175 124.3954 56.8991 64.5041 173.0261 30 T 5.2423 9.0675 116.1402 60.2334 72.8940 172.2206 31 A 5.1090 8.3462 121.7786 50.0379 22.1595 176.5123 32 G 3.8213 8.9239 108.4213 45.3830 0.0000 174.8164 33 A 4.2162 8.6571 123.5135 54.5476 18.6122 178.3996 34 D 4.6104 8.0933 113.3365 54.0021 41.3414 177.2461 35 G 3.9018 7.5658 105.2406 47.0496 0.0000 173.7646 36 G 4.0143 8.3576 108.1462 46.6256 0.0000 174.0986 37 A 4.8468 7.4300 118.7265 48.9257 18.9369 174.7851 38 P 4.9699 0.0000 0.0000 62.5438 33.1183 176.2585 39 Y 4.7217 8.9156 121.5386 56.1403 42.6581 173.4686 40 L 5.3420 7.5754 127.1014 53.5222 45.4205 175.4603 41 V 4.5911 8.4837 123.4743 60.0133 35.0891 171.3463 42 P 4.7984 0.0000 0.0000 62.4603 32.0002 175.5162 43 L 4.9890 8.8169 122.8629 52.7724 46.2099 176.2059 44 S 5.0844 8.8268 116.5880 59.0112 63.7534 173.1933 45 Y 5.4661 8.7440 119.6660 55.6226 42.1317 173.3360 46 L 4.8369 9.5865 122.5762 53.1368 44.8675 174.6181 47 W 5.3423 9.2564 135.0000 55.5849 32.3241 174.9748 48 D 4.5135 8.0906 125.1914 52.8960 39.0690 177.2717 49 G 3.6304 6.0456 108.5804 45.3293 0.0000 173.8634 50 E 4.2871 6.6100 116.5728 57.0713 32.5411 174.8143 51 T 5.0638 7.9426 107.3855 59.9573 72.8243 172.5529 52 F 5.5555 9.3864 120.7536 56.1723 41.7737 174.7717 53 L 5.4564 9.5455 123.7709 53.6617 45.0017 175.7368 54 V 5.4543 9.1805 118.1240 59.7284 36.1322 174.3086 55 A 5.1323 8.8437 122.3944 50.9089 21.9909 175.3294 56 T 4.7450 9.0919 114.6599 59.8092 71.8124 171.1311 57 P 3.9707 0.0000 0.0000 62.6856 31.7469 177.1894 58 A 3.9511 8.6268 126.9987 55.3241 18.3400 178.4489 59 A 4.2931 7.7179 115.5115 52.7410 19.3597 178.2060 60 S 4.2917 7.6791 112.1991 57.2103 65.1023 173.3146 61 P 3.9257 0.0000 0.0000 66.0134 30.8095 179.1656 62 T 3.8157 7.5275 113.9410 66.5229 68.5126 176.6847 63 G 3.6925 8.1963 107.8633 47.9979 0.0000 175.9040 64 R 3.9476 8.1997 120.8446 59.0119 29.9434 178.9668 65 N 4.3045 8.1937 116.3780 56.1548 38.4588 177.4968 66 L 3.8479 7.9712 120.7442 57.8311 41.3485 179.7736 67 S 4.3074 7.8846 113.7546 61.7253 62.8758 176.2084 68 E 4.2501 8.1938 120.1375 58.2266 29.5121 178.1026 69 T 4.5003 8.0578 108.0613 60.3531 70.5828 175.2818 70 G 3.9840 8.1498 108.5399 45.9066 0.0000 172.5866 71 R 5.2287 7.5180 117.3699 54.2855 33.2629 175.6186 72 V 4.7006 8.3262 119.7779 60.7030 35.3541 173.0297 73 R 5.1491 9.0417 121.5216 54.4241 33.7837 174.4374 74 L 5.0795 8.8349 122.8738 52.8282 44.8775 175.5519 75 G 4.3894 9.0401 111.4938 44.6642 0.0000 172.3158 76 I 4.9393 9.0621 127.3058 60.4026 40.9510 175.6510 77 G 4.2521 9.4298 111.5799 44.5013 0.0000 171.2725 78 P 4.6174 0.0000 0.0000 61.2882 32.9584 175.3867 79 T 3.9471 8.3432 114.7459 65.4402 68.5719 174.2815 80 R 3.7838 8.7527 123.5401 57.0511 28.4400 175.7046 81 D 5.0449 7.8040 115.5192 52.7860 41.1942 173.7411 82 L 4.8817 8.1179 121.8162 52.8190 45.1832 176.5959 83 V 4.8090 8.9229 121.5005 60.9880 34.7471 173.8526 84 L 5.1416 9.3570 130.0368 53.2879 44.6303 174.8776 85 V 4.8327 8.8322 126.7300 61.1149 34.3870 173.7881 86 E 4.9961 9.3722 127.5447 54.7765 32.1085 175.3745 87 G 4.5547 8.9989 110.3622 45.3647 0.0000 171.1361 88 T 5.2710 8.6685 109.4171 59.6279 71.6475 173.1204 89 A 5.3781 8.8029 125.3053 50.2863 21.8067 175.4974 90 L 5.1002 8.8979 121.1493 52.2128 45.7373 174.4131 91 P 4.4788 0.0000 0.0000 62.3566 32.9728 175.3477 92 L 4.7562 8.6443 121.3025 52.7761 45.4539 176.3146 93 E 4.4179 8.7674 123.2112 55.5387 30.2881 175.9859 94 P 4.3166 0.0000 0.0000 65.9690 31.4437 177.4706 95 A 4.2118 8.0554 117.7761 53.2590 18.5612 177.6560 96 G 4.1058 8.1963 104.8654 44.8616 0.0000 173.7926 97 L 4.0477 7.5839 118.8624 53.0468 42.6799 175.4583 98 P 4.3434 0.0000 0.0000 62.1829 31.9630 175.6842 99 D 4.4721 8.4528 119.8183 56.5438 41.2374 177.3083 100 G 4.0239 8.9318 112.2025 45.9254 0.0000 175.6727 101 V 3.6559 7.6705 119.0852 65.7637 31.3259 178.1875 102 G 3.5299 7.8812 105.0513 47.8710 0.0000 175.1272 103 D 4.3792 8.0301 121.0263 57.4035 40.9162 178.9160 104 T 3.8619 7.8415 116.0385 66.4918 68.4671 176.3781 105 F 4.0586 8.6495 122.6886 61.4045 39.4457 176.9470 106 A 4.4759 8.2823 121.7964 54.7741 17.9060 179.5127 107 E 3.8847 8.0678 116.1908 59.3105 29.5962 179.1639 108 K 3.9995 7.9791 119.1856 58.8714 32.3568 178.1011 109 T 4.2671 7.6445 107.8223 60.8999 69.9400 175.6953 110 G 4.0227 8.8568 109.3471 45.0657 0.0000 172.8443 111 F 4.9597 7.7889 113.3256 55.0681 41.1177 173.4928 112 D 4.5622 8.3685 120.4355 51.4267 42.1502 173.7238 113 P 3.7348 0.0000 0.0000 65.3214 31.5656 179.1728 114 R 3.9843 7.8959 116.3609 58.8801 30.0109 177.5964 115 R 4.4925 8.0849 114.5485 55.6892 30.2645 175.8027 116 L 4.8591 7.4067 117.9943 52.9794 44.0965 176.9401 117 T 4.1190 8.5229 111.8541 64.7608 69.3022 175.8556 118 T 3.8265 7.9107 117.6587 63.6225 69.0483 173.5428 119 S 4.4099 8.6591 120.4117 58.6035 62.9848 172.2467 120 Y 4.8143 8.7060 125.0318 56.6818 39.7690 175.1940 121 L 4.7738 8.6099 121.9696 53.2347 45.0354 175.3652 122 Y 4.8538 8.6235 119.9469 57.1809 40.1126 174.4821 123 F 5.2727 9.2189 121.1715 55.7465 42.6475 174.0734 124 R 5.1011 9.1231 124.6278 55.1860 31.7527 174.7492 125 I 5.0696 9.3831 128.1837 59.8430 39.9710 174.8196 126 S 5.1214 9.0890 124.8066 56.3474 64.3946 172.1401 127 P 4.7727 0.0000 0.0000 63.2035 32.1039 176.9609 128 R 4.4849 9.5435 121.0844 56.9635 33.3252 175.9883 129 R 4.8531 7.7201 117.4763 54.4116 34.1227 174.1665 130 V 4.9751 8.2218 124.0397 61.3133 35.2111 173.8333 131 Q 5.3895 9.5017 126.0640 54.2622 32.3942 174.4859 132 A 5.3662 9.4546 124.2699 50.4360 22.7699 175.1877 133 W 5.0457 8.8377 118.2356 57.5657 32.0140 176.1452 134 R 4.7206 9.3644 120.2634 56.0185 29.5647 178.6946 135 E 4.4945 9.0324 128.6390 55.5249 32.6206 176.5214 136 A 4.1209 8.6764 120.3490 55.7396 17.9393 179.2287 137 N 4.4373 8.2711 113.7244 55.1091 37.3383 175.8955 138 E 4.5767 7.8979 119.1643 55.9821 30.2164 176.9818 139 L 3.7534 7.8336 121.4328 56.6228 41.6210 177.4596 140 S 3.9839 7.4667 112.6241 59.7749 62.5513 173.8593 141 G 3.9729 8.9533 115.6735 45.6823 0.0000 174.2451 142 R 4.3124 7.5735 117.5347 57.4037 29.8293 176.0562 143 E 4.5914 8.0491 120.0823 55.7569 30.1927 175.6003 144 L 4.7025 9.2250 125.3694 54.7743 42.7679 175.8057 *146 R 4.1599 7.6384 118.7519 57.4770 30.7682 174.7657 147 D 4.1157 9.7880 121.8872 55.4230 38.5329 174.8377 148 G 3.9213 8.5613 105.3483 44.7008 0.0000 173.8325 149 E 4.6526 7.6474 118.6750 53.5580 32.2053 175.9652 150 W 4.5550 8.7052 123.4735 57.1118 30.0184 175.5112 151 L 4.5219 9.2410 124.7895 54.0039 41.9822 176.3202 152 V 4.4880 8.3007 123.8628 60.8354 33.8176 175.4283 153 T 3.9538 8.7209 124.3223 64.0077 68.9836 173.7890 154 D 4.5353 8.6503 124.0698 54.7308 40.8532 176.2289 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 T 8.27 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *3 T 8.26 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 P 0.00 4.55 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 5 P 0.00 4.30 0.00 2.18 2.08 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 6 A 8.51 4.17 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 7 R 8.82 4.16 0.00 1.85 1.90 0.00 3.32 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 8 T 8.32 4.09 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 9 A 8.47 3.98 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 10 K 8.05 3.79 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 11 Q 8.04 3.99 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 12 R 8.61 3.94 0.00 2.08 2.03 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 13 I 7.92 3.55 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.12 0.00 0.00 14 Q 7.88 3.85 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 15 D 8.35 4.36 0.00 2.86 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 16 T 8.28 3.87 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 1.32 0.00 0.00 17 L 8.14 3.93 0.00 1.74 1.77 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.27 4.37 0.00 2.90 2.88 0.00 0.00 6.69 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 19 R 8.13 3.91 0.00 1.94 2.10 0.00 3.31 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 20 L 7.84 4.16 0.00 1.22 0.88 -0.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.20 4.36 0.00 2.19 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 0.00 2.79 2.59 0.00 22 L 7.65 4.17 0.00 1.79 1.88 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.91 4.55 0.00 3.13 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 24 V 8.27 3.71 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 0.94 0.00 0.00 0.84 0.00 0.00 25 D 8.09 5.65 0.00 2.52 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 26 A 9.10 4.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.25 4.38 0.00 3.35 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 28 V 9.21 4.65 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 0.95 0.00 0.00 1.01 0.00 0.00 29 S 9.32 5.42 0.00 3.90 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 30 T 9.07 5.24 4.22 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 0.00 0.00 1.18 0.00 0.00 31 A 8.35 5.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.92 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 33 A 8.66 4.22 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 34 D 8.09 4.61 0.00 2.67 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 35 G 7.57 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 0.00 0.00 0.00 36 G 8.36 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 37 A 7.43 4.85 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 38 P 0.00 4.97 0.00 2.09 2.07 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 39 Y 8.92 4.72 0.00 3.09 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 40 L 7.58 5.34 0.00 1.57 1.38 1.10 0.75 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 41 V 8.48 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 0.89 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.80 0.00 1.55 1.14 0.00 3.38 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 43 L 8.82 4.99 0.00 1.66 1.68 1.03 1.17 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 44 S 8.83 5.08 0.00 4.04 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 45 Y 8.74 5.47 0.00 3.38 3.21 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 46 L 9.59 4.84 0.00 1.86 1.89 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 W 9.26 5.34 0.00 3.33 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 48 D 8.09 4.51 0.00 2.66 2.57 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 49 G 6.05 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.61 4.29 0.00 1.68 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 2.11 2.23 0.00 51 T 7.94 5.06 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 1.23 0.00 0.00 52 F 9.39 5.56 0.00 3.23 3.22 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 0.00 0.00 0.00 53 L 9.55 5.46 0.00 1.90 1.81 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.18 5.45 2.36 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 0.98 0.00 0.00 1.24 0.00 0.00 55 A 8.84 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.09 4.75 4.37 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 1.37 0.00 0.00 57 P 0.00 3.97 0.00 1.87 1.64 0.00 3.43 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.17 0.00 58 A 8.63 3.95 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 59 A 7.72 4.29 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 60 S 7.68 4.29 0.00 3.99 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 61 P 0.00 3.93 0.00 0.57 1.32 0.00 3.40 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 62 T 7.53 3.82 4.22 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 0.00 0.00 1.16 0.00 0.00 63 G 8.20 3.69 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 0.00 0.00 0.00 64 R 8.20 3.95 0.00 1.75 1.94 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 65 N 8.19 4.30 0.00 2.62 2.91 0.00 0.00 7.06 6.33 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 66 L 7.97 3.85 0.00 0.46 0.60 0.32 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.88 4.31 0.00 4.09 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 68 E 8.19 4.25 0.00 2.24 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 2.32 2.18 0.00 69 T 8.06 4.50 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 1.26 0.00 0.00 70 G 8.15 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 71 R 7.52 5.23 0.00 1.60 1.80 0.00 3.18 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 72 V 8.33 4.70 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 0.67 0.00 0.00 0.88 0.00 0.00 73 R 9.04 5.15 0.00 1.69 1.80 0.00 3.22 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 74 L 8.83 5.08 0.00 1.20 1.22 -0.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.04 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 76 I 9.06 4.94 1.83 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 1.00 0.00 0.00 77 G 9.43 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 0.00 0.00 0.00 78 P 0.00 4.62 0.00 2.23 2.23 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 79 T 8.34 3.95 4.22 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 0.00 0.00 1.18 0.00 0.00 80 R 8.75 3.78 0.00 1.96 1.96 0.00 3.44 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 81 D 7.80 5.04 0.00 2.72 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 82 L 8.12 4.88 0.00 0.82 1.11 0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.92 4.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 84 L 9.36 5.14 0.00 1.75 1.66 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.83 4.83 1.82 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 0.96 0.00 0.00 0.84 0.00 0.00 86 E 9.37 5.00 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 87 G 9.00 4.55 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 88 T 8.67 5.27 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 89 A 8.80 5.38 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 90 L 8.90 5.10 0.00 1.65 1.57 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.48 0.00 1.88 1.85 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 92 L 8.64 4.76 0.00 1.44 1.45 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.77 4.42 0.00 1.98 1.87 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 2.37 2.26 0.00 94 P 0.00 4.32 0.00 2.11 2.31 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 95 A 8.06 4.21 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 96 G 8.20 4.11 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 0.00 97 L 7.58 4.05 0.00 1.44 1.36 0.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.34 0.00 2.11 1.92 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 99 D 8.45 4.47 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.93 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 0.00 0.00 0.00 101 V 7.67 3.66 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 0.95 0.00 0.00 0.87 0.00 0.00 102 G 7.88 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.03 4.38 0.00 2.84 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 0.00 104 T 7.84 3.86 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 1.22 0.00 0.00 105 F 8.65 4.06 0.00 3.19 3.22 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 0.00 0.00 0.00 106 A 8.28 4.48 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 0.00 107 E 8.07 3.88 0.00 2.08 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 0.00 2.33 2.38 0.00 108 K 7.98 4.00 0.00 1.64 1.77 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.24 7.81 109 T 7.64 4.27 4.10 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 0.00 0.00 0.00 0.43 0.00 0.00 110 G 8.86 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 0.00 0.00 0.00 111 F 7.79 4.96 0.00 3.12 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 0.00 112 D 8.37 4.56 0.00 2.65 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 0.00 113 P 0.00 3.73 0.00 1.83 1.54 0.00 3.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.65 0.00 114 R 7.90 3.98 0.00 1.85 2.03 0.00 3.14 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 115 R 8.08 4.49 0.00 2.18 1.95 0.00 3.24 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 116 L 7.41 4.86 0.00 1.62 1.63 0.72 0.68 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 0.00 117 T 8.52 4.12 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 118 T 7.91 3.83 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 1.12 0.00 0.00 119 S 8.66 4.41 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.71 4.81 0.00 2.78 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 0.00 121 L 8.61 4.77 0.00 1.41 0.90 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.62 4.85 0.00 2.88 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 0.00 123 F 9.22 5.27 0.00 3.09 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 0.00 124 R 9.12 5.10 0.00 1.95 1.88 0.00 3.06 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 125 I 9.38 5.07 2.13 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 1.32 0.72 0.98 0.00 0.00 126 S 9.09 5.12 0.00 3.83 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 0.00 127 P 0.00 4.77 0.00 2.10 2.35 0.00 3.86 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 128 R 9.54 4.48 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 129 R 7.72 4.85 0.00 1.79 1.67 0.00 3.10 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 130 V 8.22 4.98 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 1.11 0.00 0.00 0.65 0.00 0.00 131 Q 9.50 5.39 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 132 A 9.45 5.37 1.31 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 0.00 0.00 133 W 8.84 5.05 0.00 3.39 3.16 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 0.00 134 R 9.36 4.72 0.00 1.93 1.77 0.00 3.14 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 135 E 9.03 4.49 0.00 2.21 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 0.00 2.39 2.27 0.00 136 A 8.68 4.12 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 0.00 137 N 8.27 4.44 0.00 2.90 2.99 0.00 0.00 5.91 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 0.00 138 E 7.90 4.58 0.00 2.28 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 0.00 2.32 2.39 0.00 139 L 7.83 3.75 0.00 1.68 1.51 0.87 0.23 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 0.00 140 S 7.47 3.98 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.95 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 0.00 142 R 7.57 4.31 0.00 2.11 2.32 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.32 0.00 143 E 8.05 4.59 0.00 1.93 1.91 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 2.29 2.33 0.00 144 L 9.22 4.70 0.00 1.96 2.03 1.11 0.72 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 *146 R 7.64 4.16 0.00 1.98 1.82 0.00 3.57 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 147 D 9.79 4.12 0.00 2.80 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 0.00 148 G 8.56 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 0.00 149 E 7.65 4.65 0.00 1.96 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 2.39 2.39 0.00 150 W 8.71 4.56 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 9.24 4.52 0.00 1.58 1.68 1.02 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 0.00 152 V 8.30 4.49 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 0.85 0.00 0.00 1.01 0.00 0.00 153 T 8.72 3.95 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 1.23 0.00 0.00 154 D 8.65 4.54 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.