NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7264 8.4444 116.3328 54.8636 29.7796 176.3780 0 H 3.7376 9.3443 116.6314 55.7767 29.6188 172.1881 1 A 4.0619 9.1004 131.4954 50.8660 19.1753 174.6974 2 P 4.8854 0.0000 0.0000 62.8824 32.1454 176.1356 3 S 4.7737 8.6177 116.5939 56.8510 67.2439 171.8336 4 Y 5.2881 8.5514 117.2203 56.4462 40.3478 175.5626 5 R 4.9762 9.2492 121.7364 54.3549 35.0089 174.3941 6 V 4.9347 8.3896 119.9724 59.9457 34.2750 175.0118 7 K 4.4734 8.7789 122.2452 54.6283 36.1018 175.5238 8 R 4.9202 8.6169 125.2603 54.4200 30.4198 175.0021 10 D 4.6078 8.5503 127.3256 52.9779 41.6623 176.7159 11 I 2.9651 8.5743 127.6394 63.7179 38.0384 177.4945 12 A 4.3349 8.3933 122.3562 54.5469 18.2363 177.9815 13 K 4.4365 8.0978 114.9287 56.1295 32.1019 176.6427 14 N 4.8434 7.7916 116.4371 53.0036 37.4892 174.3400 15 D 4.9637 8.8059 116.7612 54.2338 41.6883 176.0717 16 E 4.6695 8.2639 120.1384 54.8175 31.2433 176.6104 17 E 4.2990 8.8502 119.6785 58.6103 29.8276 176.5597 18 C 3.7121 7.4304 113.4615 57.0556 33.6178 173.0457 19 V 4.7378 7.5869 117.8381 59.8272 34.4299 174.5113 20 V 4.5729 8.4960 123.4609 61.4055 33.0180 174.4585 21 N 4.7323 9.0601 127.2780 52.5925 40.6625 174.1769 22 A 4.3228 8.6709 127.7344 51.4251 17.7843 176.6641 23 A 4.6645 9.1110 123.9142 51.4025 21.0918 175.7530 24 N 5.2722 8.4535 116.1189 50.6069 40.2960 174.3874 25 P 4.9043 0.0000 0.0000 64.2149 31.6876 177.5820 26 R 4.3885 8.2062 116.8045 55.3200 30.5920 175.9395 27 G 4.0151 7.7547 105.9870 46.6474 0.0000 173.9421 28 L 4.5715 8.1782 118.7224 51.8373 43.2914 175.4255 29 P 4.0329 0.0000 0.0000 63.1017 32.0713 176.4468 30 G 3.8073 7.7682 106.7196 45.5308 0.0000 170.9417 31 D 4.7138 8.5273 121.5031 53.6205 44.2299 178.0741 32 G 3.6108 8.3785 108.1027 46.8719 0.0000 176.1694 33 V 3.5993 8.5280 118.6913 66.4078 31.4354 177.6140 34 C 4.8738 8.0947 119.0178 61.6768 31.3375 175.2079 35 K 3.9394 7.9812 120.7634 59.6182 31.7000 178.6823 36 A 4.0234 7.9869 120.4703 55.1011 18.4147 179.6265 37 V 4.0355 8.2958 117.0476 66.4889 31.4574 177.7113 38 Y 4.2292 8.6026 118.9586 60.4508 38.6349 177.4331 39 K 3.9929 7.9532 120.0825 58.7270 32.3013 178.0763 40 K 3.7990 7.3938 118.7175 56.9979 34.0384 176.9332 41 W 5.1748 8.5495 117.0722 53.6648 29.3322 174.8091 42 P 4.0887 0.0000 0.0000 65.7438 30.7751 178.3715 43 E 4.1795 8.3135 118.0513 58.8068 29.2005 178.7507 44 S 4.2931 8.1189 113.4745 60.5817 63.0416 175.4801 45 F 4.5854 8.1251 121.2614 55.9086 39.0382 175.3034 46 K 4.0065 7.8083 121.2111 57.2759 31.9342 176.0715 47 N 4.2327 8.7107 125.6828 54.4507 35.8954 175.2191 48 S 4.3123 7.9143 110.9596 58.3854 64.2145 173.4653 49 A 4.2774 7.7648 123.0798 53.5109 18.5211 176.6295 50 T 4.5210 8.6318 115.0928 60.3725 71.3711 171.1688 51 P 4.8228 0.0000 0.0000 61.7421 32.9385 176.2389 52 V 3.4623 8.3110 121.1742 64.6129 31.8056 176.2434 53 G 3.8760 9.3451 113.6736 46.3250 0.0000 172.5680 54 T 4.9160 7.5020 108.9429 59.5001 72.6197 172.3190 55 A 5.2416 9.0668 122.2066 50.2352 22.6177 175.7238 56 K 4.4857 8.9861 120.6165 55.2914 35.8826 175.0068 57 T 4.8109 8.5505 124.0248 62.4827 70.2096 174.2674 58 V 4.3705 8.1742 126.7535 61.7381 35.6323 173.9755 *60 C 4.8841 8.6582 112.1414 60.4605 29.6218 176.1530 61 G 3.9917 8.4330 118.3933 46.9152 0.0000 173.0670 62 T 4.2315 9.0848 114.4155 61.4119 69.6635 173.6855 63 Y 4.3329 7.6533 124.2861 55.4929 39.4623 172.9207 64 P 4.3166 0.0000 0.0000 62.0494 33.1262 175.4156 65 V 4.1365 8.1859 124.3941 61.1235 33.6924 174.6468 66 I 4.2500 8.5841 130.7477 60.3526 38.2569 175.2274 67 H 4.7445 9.0337 126.5434 55.1030 29.7178 174.4306 68 A 4.8911 8.6975 126.3393 50.0791 21.5987 175.4042 69 V 4.6116 8.4414 123.7055 61.0304 32.3850 175.7894 70 G 4.1123 8.7291 116.0795 43.3762 0.0000 169.7920 71 P 3.9055 0.0000 0.0000 61.8178 32.1235 175.7925 72 N 4.2474 7.9546 119.2157 52.6690 38.4918 175.5765 73 F 4.3889 8.9963 125.2341 59.0430 39.5073 177.0994 74 S 4.3689 8.7131 118.1641 60.7478 62.9699 175.7567 75 N 4.5815 8.1135 116.5793 54.4278 39.5811 175.2182 76 Y 4.1827 7.5952 114.3042 56.7728 39.1682 175.9377 77 S 4.5271 8.3693 117.9937 57.9286 65.4299 175.1759 78 E 4.2399 8.8375 121.7375 59.7823 29.0463 179.6456 79 S 4.1137 8.0863 112.3664 61.6950 62.6611 175.9908 80 E 4.1545 8.3871 121.4450 59.2566 29.1896 179.5905 81 G 3.1110 8.5953 106.3274 47.5733 0.0000 175.2643 82 D 4.5320 8.3924 120.4562 57.0677 41.2579 178.3831 83 R 3.8635 7.7740 119.3050 59.6093 29.9686 178.4280 84 E 3.8542 8.0044 118.3671 59.0697 29.2217 179.2341 85 L 3.9278 7.9992 120.3348 57.9366 42.2407 178.6491 86 A 3.9708 7.8592 120.5227 55.2465 18.2076 179.5184 87 A 3.9201 8.0161 118.8588 55.1354 18.4831 179.4977 88 A 3.9431 8.1397 119.5891 55.8164 18.3604 179.5871 89 Y 4.1630 7.7884 114.7145 61.2098 37.9136 178.7480 90 R 3.9896 8.2805 119.1091 59.4738 30.1739 178.9983 91 E 4.0437 8.5732 118.5225 58.9638 29.3260 179.5281 92 V 3.5259 7.8829 118.3461 66.0250 31.6246 177.8278 93 A 4.0352 8.2421 120.5929 55.1392 18.0944 179.5239 94 K 3.8904 8.1411 118.0408 59.5921 32.2879 179.0143 95 E 3.8942 8.1950 118.8713 59.3273 29.0660 179.2393 96 V 3.5108 8.0536 118.6543 66.3945 31.5246 178.0430 97 T 3.7409 7.9802 115.1892 66.7460 68.1318 176.3138 98 R 3.8709 7.9692 119.2901 59.6999 30.1575 178.2386 99 L 4.1467 8.3877 117.1015 55.3559 41.5870 178.1760 100 G 3.8998 7.7214 106.0554 45.9108 0.0000 174.4071 101 V 3.9244 7.0531 112.0628 61.5106 32.1093 175.9222 102 N 4.8808 10.0849 119.9574 54.3786 39.8871 174.8979 103 S 5.2685 7.8044 111.4879 57.3869 66.3228 173.9468 104 V 4.6965 8.7579 119.1169 60.3890 35.0037 173.1634 105 A 5.3439 8.9867 126.1601 50.8060 20.8196 175.8368 106 I 5.0078 9.2637 123.0259 58.7972 41.8351 172.8889 107 P 5.2881 0.0000 0.0000 61.2432 33.7794 175.4639 108 L 4.4810 8.5066 119.6978 53.6447 40.6504 176.6084 109 L 3.9795 8.6148 124.2790 56.5215 41.8351 177.9523 110 S 4.1293 8.9372 116.7213 59.9417 60.1811 172.5096 111 T 4.8795 7.8339 107.3037 61.4596 70.9724 174.6529 112 G 3.9022 7.9612 110.1045 45.9914 0.0000 176.8398 113 V 3.8081 9.0587 119.5468 63.6301 32.0994 176.0963 114 Y 5.1453 7.9635 116.8231 57.9707 38.2821 177.0383 115 S 4.5238 7.9754 115.7780 58.3260 63.4545 175.0157 116 G 4.0368 9.1766 108.7708 46.5834 0.0000 174.7620 117 G 3.9370 8.0259 106.2480 44.9721 0.0000 174.3037 118 K 4.4069 7.5351 120.0693 54.3806 33.7318 175.4377 119 D 4.7237 8.5592 123.9886 54.4374 41.1411 175.8530 120 R 4.5418 8.5876 125.0574 55.5847 31.5192 177.3168 121 L 3.4799 7.9333 121.4602 58.8811 41.5836 179.3414 122 T 3.6894 7.4430 114.6694 66.3200 68.5767 176.3890 123 Q 3.8305 7.8440 121.0270 59.2930 29.0720 178.2922 124 S 4.2788 8.3457 114.4467 61.3041 62.4056 175.7753 125 L 3.4304 7.8354 123.0635 57.9757 41.6895 178.5809 126 N 4.2267 8.1128 116.6389 56.8082 38.4725 177.1604 127 H 4.2197 7.8819 117.1031 58.4117 28.5119 177.4120 128 L 2.6813 6.9075 121.6275 57.7557 41.8529 178.5238 129 F 4.6504 7.4567 116.6940 61.3380 39.0401 177.3884 130 T 4.1044 7.9153 113.3706 66.7687 68.2970 175.6054 131 A 4.3101 7.5904 119.0871 53.1101 18.3495 177.7106 *133 D 4.7442 7.9837 120.9717 55.1248 42.7408 176.7260 134 S 4.4863 8.0684 110.7987 58.6423 63.8276 174.1083 135 T 4.3755 7.5990 111.5837 61.0914 69.9007 174.0409 136 D 4.6814 8.3696 120.9623 53.0096 39.8905 176.2974 137 A 4.3376 7.5953 121.3001 52.1143 19.4116 177.5636 138 D 4.5281 8.9579 121.3041 54.3360 42.2598 175.5504 139 V 4.7008 8.5627 123.6166 61.0407 34.1959 174.3256 140 V 4.8129 8.9762 127.8942 61.2834 34.1819 174.0587 141 I 4.9514 8.9939 130.1145 60.6762 38.6786 174.5686 142 Y 5.8301 9.6046 124.9764 55.9539 40.9116 174.6494 143 C 5.1221 8.5141 116.1871 57.4642 33.3950 173.7702 144 R 4.4818 8.6232 115.7812 55.4701 31.6898 174.9352 145 D 4.6830 7.7708 117.3617 52.9074 43.1740 176.5400 146 K 3.9587 8.6695 126.4510 59.8674 32.1988 179.2297 147 E 4.0771 8.3749 118.1650 59.3135 29.3967 179.3310 148 W 4.1117 8.8742 119.1045 59.4483 28.9770 178.0243 149 E 3.9881 8.6457 119.6191 59.3736 29.0027 178.9274 150 K 3.9192 7.9552 117.9947 59.6729 32.1828 179.4976 151 K 3.9422 8.0327 118.4836 59.4342 31.9162 179.5880 152 I 3.6406 8.0543 120.4467 64.2724 36.9452 178.3841 153 S 4.1016 8.3595 114.2575 61.4941 62.0267 175.9638 154 E 3.9206 8.2498 119.9784 59.5400 29.2929 179.0238 155 A 4.1471 7.8155 119.5665 54.9807 18.4563 179.5900 156 I 3.7537 7.7544 117.6602 64.4483 37.6295 180.6739 157 Q 4.1593 8.1467 119.1064 55.9352 28.3687 178.5417 *159 R 4.2907 8.0586 120.3178 55.5268 32.2819 175.9608 160 T 4.1463 7.3617 110.8944 61.5692 68.7479 173.7183 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 H 8.44 4.73 0.00 3.27 2.48 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 9.34 3.74 0.00 3.26 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 A 9.10 4.06 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 2 P 0.00 4.89 0.00 1.83 1.97 0.00 3.57 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 1.95 1.94 0.00 3 S 8.62 4.77 0.00 3.83 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 0.00 0.00 4 Y 8.55 5.29 0.00 2.87 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 5 R 9.25 4.98 0.00 1.77 1.75 0.00 3.13 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 6 V 8.39 4.93 2.10 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 0.76 0.00 0.00 1.00 0.00 0.00 7 K 8.78 4.47 0.00 0.93 1.55 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.65 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.21 1.02 7.81 8 R 8.62 4.92 0.00 1.93 1.91 0.00 3.21 0.00 0.00 3.71 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 10 D 8.55 4.61 0.00 2.81 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 11 I 8.57 2.97 1.80 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 1.18 0.48 0.94 0.00 0.00 12 A 8.39 4.33 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 13 K 8.10 4.44 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.50 7.81 14 N 7.79 4.84 0.00 3.12 2.61 0.00 0.00 6.76 7.96 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 15 D 8.81 4.96 0.00 2.76 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 16 E 8.26 4.67 0.00 2.21 1.92 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 2.46 2.40 0.00 17 E 8.85 4.30 0.00 1.96 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 2.37 2.28 0.00 18 C 7.43 3.71 0.00 2.77 2.55 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 19 V 7.59 4.74 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.90 0.00 0.00 20 V 8.50 4.57 2.10 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 0.74 0.00 0.00 0.94 0.00 0.00 21 N 9.06 4.73 0.00 2.71 2.51 0.00 0.00 6.67 8.78 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 22 A 8.67 4.32 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.11 4.66 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 24 N 8.45 5.27 0.00 3.00 3.03 0.00 0.00 5.68 7.76 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 25 P 0.00 4.90 0.00 2.28 2.41 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 26 R 8.21 4.39 0.00 1.85 2.02 0.00 3.36 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 27 G 7.75 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 28 L 8.18 4.57 0.00 1.75 1.54 0.93 0.85 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 29 P 0.00 4.03 0.00 1.51 0.49 0.00 3.53 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 1.53 1.00 0.00 30 G 7.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.53 4.71 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.38 3.61 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 0.00 0.00 0.00 33 V 8.53 3.60 2.10 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 1.23 0.00 0.00 0.97 0.00 0.00 34 C 8.09 4.87 0.00 3.33 3.10 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 0.00 35 K 7.98 3.94 0.00 1.88 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 36 A 7.99 4.02 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 37 V 8.30 4.04 2.45 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 1.27 0.00 0.00 1.23 0.00 0.00 38 Y 8.60 4.23 0.00 2.67 3.01 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 39 K 7.95 3.99 0.00 1.96 1.93 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 40 K 7.39 3.80 0.00 1.02 0.74 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.55 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.60 7.81 41 W 8.55 5.17 0.00 3.58 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.09 0.00 1.90 1.20 0.00 3.70 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 1.93 1.76 0.00 43 E 8.31 4.18 0.00 2.16 2.10 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 2.45 2.46 0.00 44 S 8.12 4.29 0.00 4.00 4.09 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 45 F 8.13 4.59 0.00 3.38 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 46 K 7.81 4.01 0.00 1.88 1.79 0.00 1.99 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 47 N 8.71 4.23 0.00 2.89 2.87 0.00 0.00 7.14 7.57 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 48 S 7.91 4.31 0.00 3.46 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 49 A 7.76 4.28 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 50 T 8.63 4.52 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 1.20 0.00 0.00 51 P 0.00 4.82 0.00 2.11 1.96 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 52 V 8.31 3.46 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 0.48 0.00 0.00 0.99 0.00 0.00 53 G 9.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 Y 7.65 4.33 0.00 2.97 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 64 P 0.00 4.32 0.00 1.81 1.75 0.00 2.96 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 1.85 1.89 0.00 65 V 8.19 4.14 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 0.58 0.00 0.00 0.42 0.00 0.00 66 I 8.58 4.25 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.20 0.84 0.00 0.00 67 H 9.03 4.74 0.00 3.09 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.70 4.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.44 4.61 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 0.99 0.00 0.00 0.97 0.00 0.00 70 G 8.73 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 71 P 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4.65 0.00 3.04 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 0.00 130 T 7.92 4.10 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 1.26 0.00 0.00 131 A 7.59 4.31 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 D 7.98 4.74 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.07 4.49 0.00 3.98 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 0.00 135 T 7.60 4.38 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 1.23 0.00 0.00 136 D 8.37 4.68 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.60 4.34 1.22 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 0.00 0.00 138 D 8.96 4.53 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.56 4.70 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 1.17 0.00 0.00 0.86 0.00 0.00 140 V 8.98 4.81 2.41 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 0.67 0.00 0.00 1.02 0.00 0.00 141 I 8.99 4.95 1.91 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 1.31 0.65 0.98 0.00 0.00 142 Y 9.60 5.83 0.00 2.88 2.92 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 0.00 143 C 8.51 5.12 0.00 3.09 3.18 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 0.00 144 R 8.62 4.48 0.00 1.71 1.86 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 145 D 7.77 4.68 0.00 2.50 2.31 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 0.00 146 K 8.67 3.96 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.56 7.81 147 E 8.37 4.08 0.00 2.42 2.16 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 2.47 2.42 0.00 148 W 8.87 4.11 0.00 3.51 3.33 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 0.00 149 E 8.65 3.99 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 150 K 7.96 3.92 0.00 2.08 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.69 7.81 151 K 8.03 3.94 0.00 1.81 1.70 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.54 7.81 152 I 8.05 3.64 2.01 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 1.32 0.77 0.89 0.00 0.00 153 S 8.36 4.10 0.00 3.96 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 0.00 154 E 8.25 3.92 0.00 2.11 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 2.34 2.48 0.00 155 A 7.82 4.15 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 0.00 156 I 7.75 3.75 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 1.01 0.00 0.00 157 Q 8.15 4.16 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.38 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 *159 R 8.06 4.29 0.00 1.73 1.84 0.00 2.21 0.00 0.00 2.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.67 0.00 160 T 7.36 4.15 4.21 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.