NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3512 8.3049 118.1550 55.0675 32.5842 174.0220 2 F 4.7972 8.9852 117.5741 53.8788 42.4609 173.0390 3 D 5.0442 9.1172 124.3436 50.9941 43.1325 176.5126 4 A 3.9283 8.5120 120.3849 55.5105 17.8133 179.9807 5 F 4.2398 8.0872 115.7584 61.0134 39.2866 178.0207 6 T 4.0800 8.9134 109.2289 63.9784 68.3941 176.4571 7 K 3.3312 8.1706 123.3763 59.3958 32.3074 178.8664 8 V 3.5144 7.2750 117.7288 65.8770 31.4783 177.9405 9 V 3.6045 8.0302 118.2257 66.2950 30.9964 177.9094 10 S 4.1731 8.3959 112.9879 61.5493 61.8410 176.1782 11 Q 4.0260 7.8503 120.7450 58.6522 28.4799 178.3244 12 A 3.8656 8.1270 121.9746 55.0438 18.3130 179.1763 13 D 4.2925 8.2984 116.7053 57.8350 41.1019 178.5804 14 T 3.9361 7.4874 113.8969 65.9058 68.4830 175.6265 15 R 4.4832 7.3036 117.2393 54.8113 30.6980 176.4803 16 G 3.9876 8.2601 107.3424 46.2574 0.0000 173.3829 17 E 4.7747 7.9779 115.6293 54.0030 32.5576 175.3527 18 M 4.3765 8.3086 119.2580 54.4000 33.0495 176.5732 19 L 4.2766 8.2659 121.4318 55.0451 42.5990 178.1720 20 S 4.4940 9.3617 117.9795 58.0489 65.3926 175.6206 21 T 3.8712 8.4467 118.6648 66.7476 68.2389 176.6198 22 A 3.9965 7.9389 122.1395 55.3869 18.2958 179.5733 23 Q 3.9834 7.8049 115.9125 59.1170 28.7061 179.1276 24 I 3.8037 7.6930 120.5084 64.4664 37.1773 178.2482 25 D 4.3699 8.2860 119.5779 57.1112 40.5149 178.6537 26 A 4.0220 7.9411 121.2077 55.0489 18.2846 179.7102 27 L 3.9020 7.6324 117.5644 57.9261 41.6317 179.7516 28 S 4.1591 8.2323 115.3007 61.4484 62.8318 176.3424 29 Q 3.9232 8.1410 122.2453 59.6536 28.6207 178.1998 30 M 3.9906 7.5658 117.3482 58.5205 32.3554 178.1725 31 V 3.7309 7.9563 118.2602 66.0355 31.5912 177.7472 32 A 4.0155 8.1044 119.4277 54.9178 18.3174 178.4578 33 E 4.3950 7.9602 114.4792 56.4546 29.7798 178.1699 34 S 4.1289 8.2383 117.1359 61.5807 62.7097 176.3507 35 N 4.3011 8.1459 119.5402 56.2489 38.3326 177.0570 36 K 3.9443 7.7884 119.7770 59.4620 32.1381 179.2047 37 R 3.9085 7.9804 118.2873 59.6691 30.0743 178.4492 38 L 4.1262 8.1405 118.6138 57.8025 41.5414 179.3320 39 D 4.3922 8.2714 118.9201 57.0694 40.6624 178.4627 40 A 4.0183 8.2192 121.4379 55.1557 18.4065 179.7986 41 V 3.5851 7.8440 116.6142 66.3118 31.7063 177.6749 42 N 4.3646 8.3067 116.6911 56.7305 38.5370 177.0358 43 R 3.9144 8.3847 118.6434 59.3273 30.5281 178.7829 44 I 3.9094 8.0121 119.6825 64.7805 37.2763 178.5902 45 T 3.8730 8.3598 116.8713 66.8647 68.1482 176.6650 46 S 4.4275 8.4803 115.1619 60.2001 62.9927 174.6887 47 N 4.9558 7.8413 118.2883 52.5646 39.7068 175.8378 48 A 4.0053 8.1489 123.0050 55.8297 18.2077 180.8353 49 S 4.1166 8.0348 112.7530 61.9802 62.8379 177.0340 50 T 3.8729 7.8099 117.9340 66.7086 68.4459 176.7248 51 I 3.6775 8.1765 122.1938 64.2452 37.0281 178.7810 52 V 3.5854 7.9098 119.0043 65.8489 31.4742 177.7901 53 S 4.0943 8.2082 113.1248 61.8378 62.2198 176.1035 54 N 4.3474 8.4835 118.9721 56.1382 38.2531 177.4130 55 A 3.9142 7.9157 121.6474 54.8470 18.4468 179.6306 56 A 3.3694 8.2446 119.7273 55.1234 18.5070 179.8076 57 R 3.8869 7.8231 117.2754 59.6694 30.1821 178.6579 58 S 4.0385 7.9857 112.9412 61.0347 62.2422 175.8880 59 L 3.7678 7.4499 123.0267 58.3018 41.6632 179.1460 60 F 4.6022 7.4594 117.2563 60.3589 38.5565 177.6190 61 A 4.1745 7.8693 120.0986 54.8227 18.2448 178.8168 62 E 4.2451 7.9461 117.0201 57.5082 31.2431 176.6981 63 Q 4.8027 8.3971 117.7546 51.6402 29.0698 173.9163 64 P 4.6483 0.0000 0.0000 64.2330 32.1029 179.6695 65 Q 4.0165 8.1152 117.6585 59.0052 28.8535 178.4009 66 L 3.9954 7.8371 118.0547 56.8619 41.6637 177.7969 67 I 4.1640 7.5400 108.4943 60.3685 38.6763 175.5847 68 A 4.0979 7.6406 125.5512 50.7927 18.9720 175.0603 69 P 2.9700 0.0000 0.0000 63.8910 31.5792 176.6701 70 G 4.1221 8.7636 111.5196 45.4553 0.0000 175.2204 71 G 4.3769 8.2311 112.6553 44.5598 0.0000 175.6352 *75 A 4.2664 8.6011 128.3681 51.1286 19.9413 176.4100 76 Y 4.2202 7.4137 117.9299 58.4796 39.7264 174.8921 77 T 3.0701 7.3978 114.3416 62.0560 69.3025 172.7265 78 S 4.0056 8.4797 119.8580 61.9570 62.9766 176.9595 79 R 3.8715 7.8649 120.5960 59.6679 29.7816 178.5982 80 R 3.9952 7.7557 117.5601 59.0567 30.0008 178.6378 81 M 3.9119 8.1116 117.9295 58.6108 32.2492 178.1534 82 A 3.9804 8.5699 121.0230 55.1721 18.5292 179.4960 83 A 3.9826 7.9608 118.8542 55.1676 18.4084 179.5605 84 C 4.0942 8.2054 117.3741 62.7707 31.7862 175.7094 85 L 4.0852 8.2955 120.9599 57.7866 41.1495 179.4662 86 R 3.9243 8.2196 118.6208 59.7496 30.0493 178.3640 87 D 4.4967 8.2084 118.5006 57.4862 40.7561 178.8467 88 M 4.1001 7.8887 118.9291 58.3460 31.9498 178.3694 89 E 3.9360 8.2677 119.3900 59.2822 29.8288 178.7169 90 I 3.6946 8.4065 120.1649 64.6061 37.2118 178.5131 91 I 3.7743 7.9619 120.4541 64.3493 37.0802 178.2042 92 L 3.9674 8.0289 121.1900 58.0498 41.8312 179.1002 93 R 3.4955 8.0506 118.7288 59.6185 30.0413 178.2677 94 Y 3.6856 7.6361 116.3240 60.6254 37.7593 178.6796 95 V 3.4031 7.6425 119.8827 65.9703 31.4863 178.2258 96 T 3.9691 7.6287 109.1336 64.7718 68.5604 176.3154 97 Y 4.2992 7.7541 119.5572 61.0138 37.7978 178.3221 98 A 4.0976 7.8709 123.0612 54.3504 18.0744 179.9246 99 V 3.7118 7.5042 115.8869 66.1280 31.7862 177.5495 100 F 4.2213 8.2801 118.8640 61.6154 39.5648 176.8311 101 A 4.2619 8.8422 120.5222 52.8440 17.9244 178.2151 102 G 3.9954 9.5007 105.0321 46.0402 0.0000 172.8450 103 D 4.6573 7.6653 115.5645 51.8384 44.1159 175.6586 104 A 4.0778 8.7543 126.5280 53.2163 18.7271 179.6835 105 S 4.1401 8.3946 114.2018 61.8545 62.8640 177.1194 106 V 3.5970 7.9291 122.7945 64.1645 30.8998 177.8884 107 L 3.8969 7.7985 120.2250 57.8440 42.1221 178.5988 108 E 3.9270 8.4932 118.8474 59.4940 29.2273 179.1207 109 D 4.2818 8.5413 117.7368 57.3803 41.1304 178.5644 110 R 4.2050 7.5655 115.1107 56.8410 30.5430 175.7014 111 C 4.2286 7.3109 115.0972 60.6810 34.1606 174.8178 112 L 3.9468 8.0796 119.2284 57.3435 41.4873 176.5726 113 N 4.2945 7.8211 117.5423 55.5516 38.8385 174.8048 114 G 4.4061 8.9047 114.0549 45.4897 0.0000 174.2073 115 L 3.6208 8.2411 122.5327 57.8740 42.0202 178.4917 116 R 3.9673 7.9872 118.1490 59.8923 30.1001 177.9175 117 E 4.0262 8.2283 117.4757 59.8141 29.5194 179.5791 118 T 3.8178 7.6461 115.5483 66.8909 68.5144 176.4872 119 Y 4.4291 7.9006 118.7292 61.0219 37.6801 178.0308 120 L 3.9982 8.5435 120.5054 58.1333 42.2034 178.5366 121 A 4.2274 7.8007 119.3424 54.5162 18.6294 179.0744 122 L 4.2465 7.7378 116.2866 55.7497 41.9118 178.2691 123 G 3.9891 8.2019 106.2093 45.3195 0.0000 173.3203 124 T 4.0440 7.5666 116.5956 62.0679 69.3159 173.3765 125 P 4.4822 0.0000 0.0000 62.3577 31.5964 177.0893 126 G 3.9866 8.8831 113.3602 47.2961 0.0000 173.6845 127 S 4.1845 8.0319 115.9304 61.5047 63.0449 176.7426 128 S 4.1413 7.9476 118.6464 61.0569 62.4728 176.8572 129 V 3.4839 7.4744 120.4069 65.9339 31.3282 177.6162 130 A 4.0593 8.3208 120.9776 55.3634 18.2247 179.7959 131 V 3.6073 7.9580 116.7661 66.0822 31.4584 178.5954 132 G 3.5405 7.8961 105.1318 47.6476 0.0000 175.9859 133 V 3.8290 8.4220 121.1947 65.6709 31.5683 178.4467 134 G 3.6039 8.3608 106.0316 47.6077 0.0000 175.9437 135 K 4.0098 7.9177 120.2634 59.3968 31.9103 179.4134 136 M 4.0185 7.6981 119.3699 57.7885 31.8556 178.5027 137 K 2.0000 7.5635 119.8349 58.9204 32.3329 178.3921 138 E 3.7668 7.7112 118.6179 59.0988 29.6016 178.6238 139 A 3.8999 7.8174 120.5085 55.0515 18.4942 179.4954 140 A 3.9220 8.3945 119.8610 55.3687 18.4870 179.7260 141 L 3.9400 8.2952 117.6158 58.0506 41.5017 179.7608 142 A 3.9916 8.1064 120.5687 55.1659 18.0582 179.7740 143 I 3.6740 7.3270 117.1785 64.4041 37.1889 178.5584 144 V 3.7995 7.5930 118.4476 65.8312 31.5606 177.1667 145 N 4.8007 8.0904 113.0892 52.6609 38.6511 174.5775 146 D 4.3590 7.3799 121.5867 53.6907 41.1485 174.3839 147 P 4.3712 0.0000 0.0000 64.2746 30.5252 176.6654 148 A 4.0805 8.0858 123.6308 53.0877 18.7930 177.5659 149 G 4.0062 8.8164 108.2986 45.8517 0.0000 173.2237 150 I 4.4281 7.1065 114.8850 59.1490 41.2115 174.3893 151 T 3.8752 8.5987 123.5285 63.1737 68.6273 172.3282 152 P 4.3176 0.0000 0.0000 62.9867 31.8957 175.9416 153 G 3.8633 8.0263 109.0480 45.5888 0.0000 171.3428 154 D 4.6843 8.6838 119.9596 53.4871 41.2845 176.2554 155 C 4.7322 8.3317 124.4276 59.7122 28.9578 175.5979 156 S 4.0185 7.8593 115.4418 61.9011 61.8623 175.9160 157 A 3.9462 7.9403 122.5071 55.1395 18.1389 179.2364 158 L 3.8826 7.8681 118.0742 58.1899 42.2502 178.8368 159 A 4.0437 8.4874 121.2416 55.1681 18.3216 179.5478 160 S 3.9863 8.3291 111.9093 61.4226 61.9392 176.0202 161 E 3.6670 8.1767 122.0066 59.2968 29.2669 178.8089 162 I 3.9063 8.2140 120.0500 64.3155 37.0731 178.3070 163 A 4.2151 8.2988 121.9485 55.2937 18.3322 179.8365 164 S 4.0404 8.0607 112.5621 61.5662 62.8897 176.4738 165 Y 4.3554 7.4634 119.6323 60.9936 37.6955 177.7301 166 F 4.1337 8.0576 118.8446 60.7116 38.9473 177.4123 167 D 4.4396 8.6421 118.7516 57.5018 40.6580 178.8926 168 R 3.9509 8.0964 118.2293 59.2940 29.9415 178.8887 169 A 3.9996 7.9746 119.7989 55.5309 18.3597 179.1873 170 C 4.0092 8.3690 115.0181 63.2627 28.0230 176.5237 171 A 4.0248 8.2239 121.0567 55.1199 18.0606 179.3521 172 A 4.0918 8.0083 118.1971 54.6548 18.8146 179.3626 173 V 4.2005 7.6159 110.2302 62.6225 32.1897 176.4837 174 S 4.3519 7.7887 118.7983 58.7324 62.7373 173.8309 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 4.35 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 2 F 8.99 4.80 0.00 3.20 2.93 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 3 D 9.12 5.04 0.00 3.13 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 4 A 8.51 3.93 1.06 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 5 F 8.09 4.24 0.00 3.31 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 6 T 8.91 4.08 4.52 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 1.45 0.00 0.00 7 K 8.17 3.33 0.00 1.98 1.94 0.00 0.89 0.00 0.00 1.24 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.32 7.81 8 V 7.28 3.51 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 0.94 0.00 0.00 0.95 0.00 0.00 9 V 8.03 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 10 S 8.40 4.17 0.00 4.19 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 11 Q 7.85 4.03 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 12 A 8.13 3.87 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 13 D 8.30 4.29 0.00 2.84 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 14 T 7.49 3.94 4.43 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 1.21 0.00 0.00 15 R 7.30 4.48 0.00 1.94 1.95 0.00 3.29 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 16 G 8.26 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.98 4.77 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 18 M 8.31 4.38 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 19 L 8.27 4.28 0.00 1.65 1.62 0.96 0.95 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 20 S 9.36 4.49 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.45 3.87 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 22 A 7.94 4.00 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 23 Q 7.80 3.98 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 24 I 7.69 3.80 2.02 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 1.55 0.76 0.94 0.00 0.00 25 D 8.29 4.37 0.00 2.84 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 26 A 7.94 4.02 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 27 L 7.63 3.90 0.00 1.94 1.81 1.06 0.61 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 28 S 8.23 4.16 0.00 4.05 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 29 Q 8.14 3.92 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 30 M 7.57 3.99 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 31 V 7.96 3.73 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.15 0.00 0.00 32 A 8.10 4.02 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 33 E 7.96 4.39 0.00 2.05 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 2.27 2.29 0.00 34 S 8.24 4.13 0.00 4.00 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 35 N 8.15 4.30 0.00 2.79 2.92 0.00 0.00 7.17 7.46 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 36 K 7.79 3.94 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 7.98 3.91 0.00 1.87 2.13 0.00 3.08 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 38 L 8.14 4.13 0.00 1.89 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.27 4.39 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.22 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.59 2.38 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 1.11 0.00 0.00 1.18 0.00 0.00 42 N 8.31 4.36 0.00 2.90 2.97 0.00 0.00 7.33 7.00 0.00 0.00 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 R 8.38 3.91 0.00 2.00 2.01 0.00 3.25 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 44 I 8.01 3.91 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 1.01 0.00 0.00 45 T 8.36 3.87 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 1.21 0.00 0.00 46 S 8.48 4.43 0.00 3.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.84 4.96 0.00 2.82 2.76 0.00 0.00 6.70 7.81 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 48 A 8.15 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 7.82 3.89 0.00 1.94 1.92 0.00 3.12 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 1.64 1.69 0.00 58 S 7.99 4.04 0.00 3.95 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 59 L 7.45 3.77 0.00 1.63 1.12 0.90 0.84 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 60 F 7.46 4.60 0.00 3.15 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 61 A 7.87 4.17 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 62 E 7.95 4.25 0.00 1.99 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 0.00 2.30 2.34 0.00 63 Q 8.40 4.80 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 64 P 0.00 4.65 0.00 2.22 2.34 0.00 3.96 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 65 Q 8.12 4.02 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 66 L 7.84 4.00 0.00 1.79 1.85 1.08 1.16 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 67 I 7.54 4.16 1.74 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 1.43 0.59 0.33 0.00 0.00 68 A 7.64 4.10 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 69 P 0.00 2.97 0.00 1.70 1.46 0.00 3.41 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.40 0.00 70 G 8.76 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 0.00 0.00 0.00 0.00 71 G 8.23 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 0.00 0.00 0.00 0.00 *75 A 8.60 4.27 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 76 Y 7.41 4.22 0.00 2.92 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 77 T 7.40 3.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 78 S 8.48 4.01 0.00 3.81 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 79 R 7.86 3.87 0.00 1.81 1.88 0.00 3.16 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 1.68 1.70 0.00 80 R 7.76 4.00 0.00 1.99 1.94 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 81 M 8.11 3.91 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 82 A 8.57 3.98 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 83 A 7.96 3.98 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 84 C 8.21 4.09 0.00 3.18 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 85 L 8.30 4.09 0.00 1.90 1.76 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.22 3.92 0.00 2.03 2.22 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 87 D 8.21 4.50 0.00 3.11 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 88 M 7.89 4.10 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.94 0.00 89 E 8.27 3.94 0.00 2.06 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 2.28 2.34 0.00 90 I 8.41 3.69 2.09 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 1.58 0.61 1.10 0.00 0.00 91 I 7.96 3.77 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.96 0.00 0.00 92 L 8.03 3.97 0.00 1.92 1.84 1.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.05 3.50 0.00 1.69 1.73 0.00 2.89 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 94 Y 7.64 3.69 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.64 3.40 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 0.33 0.00 0.00 0.60 0.00 0.00 96 T 7.63 3.97 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 1.24 0.00 0.00 97 Y 7.75 4.30 0.00 3.14 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 98 A 7.87 4.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.50 3.71 2.33 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 0.96 0.00 0.00 1.15 0.00 0.00 100 F 8.28 4.22 0.00 3.18 3.36 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 0.00 101 A 8.84 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.18 0.00 4.06 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 0.00 128 S 7.95 4.14 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.47 3.48 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 1.13 0.00 0.00 0.42 0.00 0.00 130 A 8.32 4.06 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 0.00 131 V 7.96 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 132 G 7.90 3.54 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 0.00 133 V 8.42 3.83 2.29 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 1.20 0.00 0.00 1.03 0.00 0.00 134 G 8.36 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 0.00 135 K 7.92 4.01 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.61 7.81 136 M 7.70 4.02 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.72 0.00 137 K 7.56 2.00 0.00 1.32 1.71 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.20 1.06 7.81 138 E 7.71 3.77 0.00 1.99 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 0.00 2.24 2.27 0.00 139 A 7.82 3.90 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 0.00 140 A 8.39 3.92 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 0.00 141 L 8.30 3.94 0.00 1.78 1.70 0.87 0.76 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 0.00 142 A 8.11 3.99 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 0.00 143 I 7.33 3.67 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 1.41 0.76 0.97 0.00 0.00 144 V 7.59 3.80 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 0.87 0.00 0.00 1.00 0.00 0.00 145 N 8.09 4.80 0.00 2.74 2.84 0.00 0.00 7.01 7.58 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 0.00 146 D 7.38 4.36 0.00 2.75 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 0.00 147 P 0.00 4.37 0.00 2.22 2.16 0.00 3.82 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 1.99 1.96 0.00 148 A 8.09 4.08 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 0.00 149 G 8.82 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 0.00 150 I 7.11 4.43 1.88 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 1.31 0.67 0.92 0.00 0.00 151 T 8.60 3.88 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 1.22 0.00 0.00 152 P 0.00 4.32 0.00 2.18 2.07 0.00 3.80 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 1.99 1.97 0.00 153 G 8.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.68 4.68 0.00 2.61 2.60 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 0.00 155 C 8.33 4.73 0.00 3.00 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 0.00 156 S 7.86 4.02 0.00 4.01 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 0.00 157 A 7.94 3.95 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 0.00 158 L 7.87 3.88 0.00 1.78 1.88 0.96 1.27 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 0.00 159 A 8.49 4.04 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 0.00 160 S 8.33 3.99 0.00 3.87 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 0.00 161 E 8.18 3.67 0.00 1.98 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 0.00 2.13 2.00 0.00 162 I 8.21 3.91 2.13 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 1.62 0.85 1.25 0.00 0.00 163 A 8.30 4.22 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 0.00 164 S 8.06 4.04 0.00 3.96 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 0.00 165 Y 7.46 4.36 0.00 3.10 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 0.00 166 F 8.06 4.13 0.00 3.25 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 0.00 167 D 8.64 4.44 0.00 2.88 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 0.00 168 R 8.10 3.95 0.00 2.21 2.06 0.00 3.40 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 1.72 1.89 0.00 169 A 7.97 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 C 8.37 4.01 0.00 3.19 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 0.00 171 A 8.22 4.02 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 0.00 172 A 8.01 4.09 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 0.00 173 V 7.62 4.20 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 1.15 0.00 0.00 1.12 0.00 0.00 174 S 7.79 4.35 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.