NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8206 8.3393 109.7361 45.7720 0.0000 177.0183 *2 T 4.3047 8.6343 115.8755 61.0162 70.2712 172.8530 3 N 4.6521 7.5483 117.0584 52.8680 41.5698 172.7001 4 N 4.8537 8.6873 123.1178 52.3971 42.0139 174.2063 5 L 4.5554 8.4882 124.7819 52.2758 43.2511 173.2878 6 K 4.3618 8.4680 126.6031 53.5688 32.4707 176.0029 7 Q 4.0945 8.4828 128.3193 56.0527 29.6376 175.7433 8 R 4.4590 8.4154 124.1206 56.2432 31.2511 176.0089 9 R 4.9322 8.9526 121.1054 54.4990 34.0944 174.5609 10 I 4.8274 9.1695 124.4243 60.4451 39.0358 174.8077 11 I 4.9641 9.0630 127.9859 59.4588 40.6607 174.4962 12 L 4.7725 8.5894 127.3235 53.9182 43.2556 175.4236 13 D 5.1110 9.0118 122.8981 52.7114 43.2371 173.9557 14 L 4.7381 8.8249 125.0244 54.1403 44.5916 174.7127 15 A 4.9826 8.4933 122.1666 51.9291 19.9909 176.8777 16 V 5.1218 9.0601 120.6295 60.1823 35.5709 175.3946 17 T 4.2492 8.7882 114.1720 60.9258 69.9798 175.3772 18 L 3.9444 8.7629 124.4654 58.0616 42.1481 177.1962 19 D 4.4713 7.9787 116.3059 53.4132 39.5958 177.1280 20 G 3.7855 8.0777 107.6678 45.6385 0.0000 172.8586 21 F 5.2580 7.9186 118.9170 55.6702 40.3052 176.6644 22 I 4.5266 8.7237 117.7325 60.4652 38.5713 175.3687 23 E 5.1340 7.8209 119.2802 55.4516 32.1875 175.2115 24 G 4.1536 9.4822 115.7545 45.0253 0.0000 174.5767 25 K 3.8836 8.4618 120.5758 58.7506 32.2804 176.9823 26 N 4.8656 8.3160 115.6016 53.2228 38.8983 175.4588 27 G 4.2911 8.3625 104.3439 45.7381 0.0000 174.3137 28 E 4.3680 8.1398 119.5914 56.2433 29.7062 177.8406 29 V 4.2358 8.1350 117.2900 60.9021 33.2827 177.5065 30 D 4.3842 8.4688 122.2099 55.9023 39.6309 177.3302 31 W 4.3955 8.0592 115.0378 58.0492 28.4930 176.1014 32 C 3.7950 6.5038 116.8129 59.5541 28.1468 173.0646 33 I 4.5698 7.8587 123.7080 59.5249 40.0068 173.8139 *35 D 4.2905 8.4164 119.0018 54.0449 41.7152 174.7932 36 P 4.3133 0.0000 0.0000 65.0285 31.4988 176.2532 37 D 4.7005 8.3920 118.5475 52.7629 39.7995 176.5734 *39 G 3.8816 8.0129 116.7077 45.1289 0.0000 172.7997 40 F 4.3320 8.3265 123.5919 60.6259 39.6823 176.5262 41 T 3.7186 7.8544 115.0403 66.7714 68.1451 176.2762 42 D 4.3374 7.9591 119.0044 57.0078 41.1447 178.2095 43 F 4.2504 8.2720 121.3539 61.2114 39.4325 176.9968 44 L 3.2261 7.3886 118.6060 57.8475 41.1696 179.4226 45 N 4.3122 7.6954 114.8227 55.4712 38.7426 176.4933 46 Q 4.1918 7.7201 118.1831 55.7357 29.2742 175.1713 47 I 4.8642 6.7199 114.5087 59.1287 39.9871 174.8932 48 D 4.9516 8.6233 120.0804 53.5924 41.5562 175.6236 49 T 5.2779 7.7930 115.3098 61.9406 73.3676 172.6680 50 I 5.0717 9.0542 124.7540 59.6588 41.1123 174.2991 51 L 5.3174 8.9207 127.3645 53.7087 43.6994 175.3180 52 Y 5.2376 9.2592 120.4927 56.1958 42.4048 175.4096 53 G 4.3242 8.9832 109.9040 45.4666 0.0000 174.7281 54 R 4.1183 8.8806 120.5542 59.4585 30.1044 178.8651 55 K 4.0913 8.1158 118.9095 59.4406 32.2695 178.6867 56 S 4.3965 8.1988 113.1940 61.0851 62.4444 175.6605 57 F 3.6939 8.5568 123.4854 61.4592 38.9622 176.9902 58 D 4.2687 8.1764 116.8102 56.9391 40.5591 177.9577 59 L 4.3014 7.4919 117.7323 56.3894 42.0063 178.3521 60 W 4.6904 9.0737 118.1687 57.6344 29.4911 178.2160 61 G 3.2389 7.6549 106.4008 46.3265 0.0000 174.2154 62 Q 4.3102 7.2253 116.1075 54.9532 30.8913 174.1627 63 Y 4.2343 7.5282 116.3982 56.7639 41.8414 173.9013 *74 K 4.5551 8.6472 126.1606 56.5438 34.3962 177.7238 75 E 4.1979 8.0443 117.1783 58.5859 29.7133 178.4714 76 L 3.9667 7.9878 118.6739 57.7399 41.6574 179.3253 77 W 4.2342 8.2443 120.3853 59.6029 28.8976 179.3701 78 K 4.1430 7.3489 120.8155 59.5344 31.3292 183.5177 79 L 4.3490 7.7127 121.1366 57.1513 41.5320 179.3851 80 V 3.6129 7.9102 118.8659 66.6106 31.4081 177.6915 81 H 4.6453 8.1868 114.4428 57.5920 28.7701 176.8736 82 S 4.3419 7.9049 114.4003 60.0866 63.2733 174.3616 83 K 4.4661 7.8780 120.9945 55.6316 32.9782 177.1991 84 K 4.2467 9.0191 123.2247 56.6992 33.1733 176.0631 85 K 5.3002 8.7440 123.3686 54.8768 34.7011 174.9380 86 Y 4.5479 9.3489 125.2466 55.6563 42.3785 173.9444 87 V 4.8295 7.2285 125.2953 61.1884 33.9080 174.7190 88 F 4.8366 9.4976 126.9928 56.1387 41.2886 175.5123 89 S 4.5803 8.8819 117.5908 58.2636 63.1796 174.9314 90 R 4.5176 8.0757 122.8574 54.3712 29.9688 175.0455 91 T 3.8582 7.5044 116.5595 64.4343 70.1691 174.1907 92 Q 4.4821 8.5115 127.2645 54.8506 30.4824 174.2283 93 N 4.6498 8.9404 126.6295 52.8957 39.4107 175.5484 94 E 4.2148 8.9470 126.0928 58.2156 30.2352 178.4453 95 I 3.8405 8.2355 120.3754 64.0377 37.0941 176.7149 96 D 4.8108 7.8381 114.7278 52.0793 40.1214 175.1100 97 N 4.2549 8.1790 115.8389 55.0863 36.7055 173.6970 98 Q 4.8136 7.6876 113.8307 53.5534 33.6967 175.8112 99 A 4.3787 8.6496 122.9669 52.2739 19.2887 176.8457 100 I 4.4510 7.9290 120.8261 59.1663 40.6443 174.7713 101 F 4.8957 8.8547 126.6879 55.4159 42.6682 175.5122 102 I 4.3194 8.1973 124.2535 60.0955 37.7889 176.5261 103 N 4.3846 8.6576 124.1157 56.2701 38.4558 177.1273 104 D 4.3936 8.0802 120.0157 57.2579 40.8845 178.3482 105 N 4.3984 8.1570 116.6154 56.2782 38.5750 177.1411 106 I 3.9198 7.7075 120.8507 64.6564 37.2465 178.4994 107 L 3.8956 7.9576 119.5252 57.6537 41.3506 179.3060 108 E 3.9885 8.1874 118.5507 59.7137 29.4366 179.4393 109 E 4.0107 8.5049 118.5216 59.3946 29.5648 179.6581 110 V 3.6898 8.2570 118.6249 66.0795 31.6694 177.9116 111 N 4.3636 8.3588 116.3644 56.0069 38.1311 177.0900 112 K 3.8559 8.0292 120.3617 59.6051 32.6216 178.4953 113 L 4.0699 7.6523 118.5514 57.8659 41.4064 179.7514 114 K 4.0873 7.8900 116.5502 58.8845 31.9440 179.0065 115 K 4.0914 7.7733 119.5887 58.4135 32.3770 177.0790 116 N 4.6423 7.1301 115.1943 51.8658 39.2473 173.0828 117 P 4.4283 0.0000 0.0000 61.8567 32.2485 176.5449 118 G 3.9503 7.6904 106.9473 46.0793 0.0000 171.1196 119 K 4.5214 8.0103 120.4031 55.9092 33.3247 175.9505 120 D 4.8993 8.2013 122.0429 54.9109 43.1280 175.5844 121 I 5.0164 8.8418 120.2240 59.4574 40.8244 174.7047 122 W 5.3709 9.0919 135.0000 56.2095 31.9531 175.1239 123 L 4.2178 8.7804 131.1837 54.5859 40.5826 175.6164 124 Y 2.8622 8.1723 128.9666 58.5797 39.5337 175.9582 125 G 3.8710 7.3419 105.1477 43.9121 0.0000 171.0385 126 G 4.1019 7.8989 105.8995 43.6611 0.0000 173.5043 127 A 3.9750 8.4841 120.5666 55.5194 18.1994 180.1951 128 S 4.1896 8.1045 113.1012 61.6083 62.9211 176.5946 129 L 3.5709 7.9167 122.6132 57.9878 41.9351 178.4909 130 I 3.4481 7.4968 119.5951 64.8385 37.0783 178.0931 131 T 3.8628 7.7941 116.0610 67.3411 68.3876 176.6436 132 T 3.7391 7.5463 117.1585 66.6268 68.3462 176.7215 133 F 3.7961 8.3990 119.7722 60.4658 38.8829 177.7040 134 I 3.6992 7.9183 119.2955 64.6866 36.8403 178.2243 135 N 4.4548 7.8954 114.7391 55.1671 38.4680 176.4782 136 L 4.2742 7.6927 118.9934 53.7578 42.1864 176.4647 137 G 3.4957 7.7197 106.9448 46.8322 0.0000 174.6016 138 L 4.4755 7.9968 118.7299 54.0789 42.8187 177.0033 139 V 4.1472 7.4893 119.1830 61.7163 32.5389 174.9296 140 D 4.9936 9.1121 127.3894 56.1645 42.5807 176.2623 141 E 5.2964 7.9596 118.2722 54.5752 33.6637 174.1706 142 F 5.0540 9.8449 125.7126 56.1699 41.7898 174.8469 143 R 4.6722 9.4909 125.5823 54.7580 30.9788 175.4340 144 L 4.9980 8.9898 125.5675 53.2110 43.7699 176.4739 145 S 4.5617 9.2976 122.8813 57.4349 63.3784 173.1278 146 I 4.6464 8.8999 126.8884 61.0177 37.7861 175.2045 147 H 4.9610 9.4050 125.8661 53.6549 29.9118 174.2394 148 P 4.8613 0.0000 0.0000 62.5140 29.8025 176.2988 149 V 4.3958 7.5193 118.0404 60.6654 34.8900 174.9895 150 V 4.7213 7.9697 120.6387 60.2365 31.9746 175.4314 151 L 3.9286 8.5504 128.1996 55.7423 41.9182 177.8260 152 G 4.3495 10.6505 109.0472 45.5489 0.0000 173.1708 153 E 4.0180 6.4053 113.6685 54.2647 32.2800 175.6586 154 G 3.2925 6.7393 104.5907 45.8371 0.0000 171.7963 155 K 4.4808 8.0746 123.2598 54.0439 32.2801 174.4229 156 P 4.8922 0.0000 0.0000 62.1700 32.3023 176.5360 157 L 3.7762 8.4941 123.3119 57.5855 42.0586 177.1927 158 F 4.8741 7.6159 117.4308 55.7066 39.9718 174.8512 159 I 4.5602 8.0672 124.6724 60.7171 40.8245 173.6019 160 D 4.4018 8.6692 124.4801 55.3217 38.1483 174.0317 161 V 3.9167 7.8625 118.2738 62.3678 32.2693 175.5330 162 K 4.2353 8.6449 126.8340 57.8848 32.6795 176.3316 163 Q 4.6179 7.4789 113.8814 53.6168 31.8723 174.6303 164 R 3.8132 8.4383 117.3690 56.4405 30.4248 176.5902 165 I 4.2972 7.9452 123.2143 59.5982 37.9815 174.9837 166 N 4.6635 8.6563 123.4821 52.3605 39.4738 174.7950 167 L 4.9844 8.1504 121.0961 52.9167 45.7683 176.2801 168 K 4.7239 8.6847 122.2077 55.3988 34.2029 176.3176 *170 V 4.0891 8.3127 108.1454 60.9146 33.7902 175.7451 171 N 5.0311 7.8650 117.8296 51.8758 42.4057 173.5700 172 T 5.0204 8.4065 120.5915 61.8518 71.9643 173.1482 173 R 4.5730 9.3487 127.4651 54.4626 33.2388 174.0128 174 T 5.0452 8.2389 115.6544 59.9780 71.4641 173.2164 175 F 5.0011 8.7666 121.5555 55.2756 42.6839 176.4711 176 S 4.2172 9.0876 115.0546 61.4267 62.7364 176.0496 177 S 4.1624 8.0861 114.4351 59.6675 62.9652 175.1153 178 G 3.9842 8.1426 109.2788 44.7043 0.0000 173.7416 179 V 3.9761 7.5655 121.0846 62.8572 32.9514 174.8939 180 V 4.9141 8.5647 126.8238 61.2225 34.4258 173.7840 181 Q 4.9813 9.5836 130.5119 55.1773 30.4737 174.0942 182 I 4.8382 8.4419 127.5723 59.4343 40.1015 174.6133 183 V 4.7836 8.5149 127.3434 61.3923 33.5644 173.8927 184 Y 5.1396 9.0661 125.2498 56.6569 41.3423 174.2574 185 H 5.5580 9.6738 121.0664 54.2764 31.3229 175.0922 186 W 4.6777 9.2657 131.9589 57.6050 30.2370 175.7401 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 0 G 8.34 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 *2 T 8.63 4.30 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 1.26 0.00 0.00 3 N 7.55 4.65 0.00 2.64 2.66 0.00 0.00 6.67 7.79 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 4 N 8.69 4.85 0.00 2.63 2.60 0.00 0.00 6.67 7.78 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 5 L 8.49 4.56 0.00 1.65 1.41 0.92 0.75 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 6 K 8.47 4.36 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.41 7.81 7 Q 8.48 4.09 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 8 R 8.42 4.46 0.00 1.75 1.86 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 9 R 8.95 4.93 0.00 1.87 1.81 0.00 3.09 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 1.55 1.74 0.00 10 I 9.17 4.83 2.16 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.98 0.00 0.00 11 I 9.06 4.96 2.17 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.96 0.00 0.00 12 L 8.59 4.77 0.00 1.41 1.55 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.01 5.11 0.00 1.67 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 0.00 0.00 0.00 0.00 14 L 8.82 4.74 0.00 1.74 1.67 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.49 4.98 1.07 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 0.00 0.00 16 V 9.06 5.12 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 1.02 0.00 0.00 0.94 0.00 0.00 17 T 8.79 4.25 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 -0.05 0.00 0.00 18 L 8.76 3.94 0.00 1.79 1.82 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.98 4.47 0.00 2.75 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 20 G 8.08 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 0.00 0.00 0.00 21 F 7.92 5.26 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.72 4.53 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.91 0.00 0.00 23 E 7.82 5.13 0.00 2.07 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 2.31 2.35 0.00 24 G 9.48 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 25 K 8.46 3.88 0.00 1.60 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 26 N 8.32 4.87 0.00 2.86 2.83 0.00 0.00 7.05 6.93 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 27 G 8.36 4.29 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 0.00 28 E 8.14 4.37 0.00 2.28 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 0.00 2.47 2.46 0.00 29 V 8.14 4.24 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 1.06 0.00 0.00 1.09 0.00 0.00 30 D 8.47 4.38 0.00 2.82 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 31 W 8.06 4.40 0.00 3.60 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 32 C 6.50 3.79 0.00 2.69 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 33 I 7.86 4.57 1.84 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 1.33 0.89 0.83 0.00 0.00 *35 D 8.42 4.29 0.00 2.25 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 0.00 0.00 0.00 36 P 0.00 4.31 0.00 2.12 2.13 0.00 3.74 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 2.05 2.12 0.00 37 D 8.39 4.70 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 *39 G 8.01 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 0.00 0.00 0.00 40 F 8.33 4.33 0.00 3.05 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 41 T 7.85 3.72 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 1.17 0.00 0.00 42 D 7.96 4.34 0.00 2.66 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 43 F 8.27 4.25 0.00 2.99 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 44 L 7.39 3.23 0.00 1.54 1.39 0.54 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.70 4.31 0.00 2.75 2.81 0.00 0.00 7.08 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 46 Q 7.72 4.19 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 47 I 6.72 4.86 1.86 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 0.94 0.55 0.32 0.00 0.00 48 D 8.62 4.95 0.00 2.72 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 49 T 7.79 5.28 4.29 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 1.29 0.00 0.00 50 I 9.05 5.07 1.99 0.00 0.00 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 1.53 1.02 0.27 0.00 0.00 51 L 8.92 5.32 0.00 1.41 1.84 0.97 0.75 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 52 Y 9.26 5.24 0.00 2.92 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 53 G 8.98 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 54 R 8.88 4.12 0.00 2.14 2.03 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 55 K 8.12 4.09 0.00 1.94 1.89 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.58 7.81 56 S 8.20 4.40 0.00 4.06 4.18 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 57 F 8.56 3.69 0.00 2.98 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 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3.97 0.00 1.50 1.54 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.24 4.23 0.00 3.39 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 78 K 7.35 4.14 0.00 1.93 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 79 L 7.71 4.35 0.00 1.75 1.64 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.91 3.61 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 1.23 0.00 0.00 0.84 0.00 0.00 81 H 8.19 4.65 0.00 3.36 3.42 0.00 5.73 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 82 S 7.90 4.34 0.00 3.98 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 83 K 7.88 4.47 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.82 1.59 7.81 84 K 9.02 4.25 0.00 1.94 1.81 0.00 1.66 0.00 0.00 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0.00 0.00 0.00 2.38 2.39 0.00 93 N 8.94 4.65 0.00 2.76 2.91 0.00 0.00 6.79 8.42 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 94 E 8.95 4.21 0.00 1.99 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 2.30 2.27 0.00 95 I 8.24 3.84 2.00 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 1.42 0.74 0.91 0.00 0.00 96 D 7.84 4.81 0.00 2.82 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 97 N 8.18 4.25 0.00 2.88 2.93 0.00 0.00 6.68 7.48 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 98 Q 7.69 4.81 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 99 A 8.65 4.38 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 0.00 100 I 7.93 4.45 1.79 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 1.19 0.98 0.80 0.00 0.00 101 F 8.85 4.90 0.00 3.05 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 0.00 102 I 8.20 4.32 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.28 1.03 0.00 0.00 103 N 8.66 4.38 0.00 2.73 2.82 0.00 0.00 7.06 8.08 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 0.00 104 D 8.08 4.39 0.00 2.71 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 0.00 105 N 8.16 4.40 0.00 3.13 2.99 0.00 0.00 7.14 7.32 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 0.00 106 I 7.71 3.92 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.29 0.00 0.00 107 L 7.96 3.90 0.00 1.68 1.68 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.19 3.99 0.00 2.32 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 0.00 2.36 2.38 0.00 109 E 8.50 4.01 0.00 2.50 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 0.00 2.46 2.58 0.00 110 V 8.26 3.69 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 1.07 0.00 0.00 1.07 0.00 0.00 111 N 8.36 4.36 0.00 2.88 2.85 0.00 0.00 6.65 6.54 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 0.00 112 K 8.03 3.86 0.00 2.16 2.02 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.37 7.81 113 L 7.65 4.07 0.00 1.88 1.63 0.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.89 4.09 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.66 7.81 115 K 7.77 4.09 0.00 1.96 1.93 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.48 7.81 116 N 7.13 4.64 0.00 2.90 2.73 0.00 0.00 7.06 7.43 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 0.00 117 P 0.00 4.43 0.00 2.17 2.05 0.00 3.92 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 1.99 1.96 0.00 118 G 7.69 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 0.00 0.00 0.00 119 K 8.01 4.52 0.00 1.72 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 120 D 8.20 4.90 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 0.00 121 I 8.84 5.02 1.94 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 1.15 0.74 0.98 0.00 0.00 122 W 9.09 5.37 0.00 3.34 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.78 4.22 0.00 1.44 1.46 -0.01 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.17 2.86 0.00 1.82 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 0.00 0.00 0.00 125 G 7.34 3.87 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 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7.92 3.70 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.92 1.15 0.00 0.00 135 N 7.90 4.45 0.00 2.67 2.84 0.00 0.00 7.14 7.89 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 0.00 136 L 7.69 4.27 0.00 1.49 1.49 0.54 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.72 3.50 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 0.00 0.00 0.00 138 L 8.00 4.48 0.00 1.64 1.69 0.13 0.91 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 0.00 139 V 7.49 4.15 1.70 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 0.09 0.00 0.00 0.83 0.00 0.00 140 D 9.11 4.99 0.00 2.80 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 0.00 141 E 7.96 5.30 0.00 2.07 1.78 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 2.33 2.50 0.00 142 F 9.84 5.05 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 9.49 4.67 0.00 1.62 1.75 0.00 3.07 0.00 0.00 2.51 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 144 L 8.99 5.00 0.00 1.85 1.75 1.21 1.05 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 0.00 145 S 9.30 4.56 0.00 3.77 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 0.00 146 I 8.90 4.65 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.97 0.00 0.00 147 H 9.40 4.96 0.00 3.21 3.47 0.00 5.84 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 0.00 148 P 0.00 4.86 0.00 2.12 2.15 0.00 3.82 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 2.05 2.14 0.00 149 V 7.52 4.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 150 V 7.97 4.72 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 1.08 0.00 0.00 0.92 0.00 0.00 151 L 8.55 3.93 0.00 1.56 1.60 0.57 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 152 G 10.65 4.35 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 0.00 153 E 6.41 4.02 0.00 1.81 1.74 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 2.02 2.06 0.00 154 G 6.74 3.29 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 0.00 155 K 8.07 4.48 0.00 2.00 1.85 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 156 P 0.00 4.89 0.00 2.37 2.03 0.00 3.89 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 157 L 8.49 3.78 0.00 1.40 1.28 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 158 F 7.62 4.87 0.00 3.04 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 0.00 159 I 8.07 4.56 1.92 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 1.46 0.72 0.95 0.00 0.00 160 D 8.67 4.40 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 0.00 161 V 7.86 3.92 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 0.72 0.00 0.00 1.04 0.00 0.00 162 K 8.64 4.24 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 163 Q 7.48 4.62 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 164 R 8.44 3.81 0.00 1.79 1.85 0.00 3.14 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 165 I 7.95 4.30 1.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.69 0.00 0.00 166 N 8.66 4.66 0.00 2.75 2.75 0.00 0.00 6.96 7.85 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 0.00 167 L 8.15 4.98 0.00 1.33 1.56 0.14 0.71 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 0.00 168 K 8.68 4.72 0.00 1.84 1.92 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 *170 V 8.31 4.09 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 0.52 0.00 0.00 0.77 0.00 0.00 171 N 7.86 5.03 0.00 2.63 2.54 0.00 0.00 6.97 7.10 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 0.00 172 T 8.41 5.02 4.18 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 1.17 0.00 0.00 173 R 9.35 4.57 0.00 1.69 1.67 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.21 0.00 174 T 8.24 5.05 4.20 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 1.16 0.00 0.00 175 F 8.77 5.00 0.00 3.02 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 0.00 176 S 9.09 4.22 0.00 4.01 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 0.00 177 S 8.09 4.16 0.00 4.02 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 0.00 178 G 8.14 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 0.00 179 V 7.57 3.98 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 0.87 0.00 0.00 0.69 0.00 0.00 180 V 8.56 4.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 181 Q 9.58 4.98 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 182 I 8.44 4.84 1.69 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 1.04 0.68 0.22 0.00 0.00 183 V 8.51 4.78 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 0.99 0.00 0.00 0.89 0.00 0.00 184 Y 9.07 5.14 0.00 3.15 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 0.00 185 H 9.67 5.56 0.00 3.12 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 W 9.27 4.68 0.00 3.61 3.59 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.