NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2822 8.1849 122.4883 53.8020 42.2448 176.1667 4 P 4.1954 0.0000 0.0000 61.4964 31.8902 175.9528 5 T 4.2513 9.2081 115.7756 60.7176 72.1537 175.4262 6 A 3.9169 8.4296 122.2581 55.6457 18.3533 179.8792 7 Q 3.9439 7.9612 115.8622 59.0756 28.8452 178.6470 8 E 3.9275 7.8866 119.4771 59.0364 29.3253 179.5538 9 V 3.0657 7.6680 118.4329 65.9452 31.5936 177.9944 10 Q 4.0547 7.9536 117.8073 58.8898 28.5137 179.4110 11 G 3.4672 7.8378 106.3073 47.8141 0.0000 175.7085 12 L 4.0013 8.1386 122.5265 57.7899 41.4735 179.7383 13 M 4.1848 8.3994 118.5883 58.1777 31.7697 178.6398 14 A 4.0006 8.0097 121.0471 55.2515 18.5031 179.6109 15 R 3.8364 8.0804 117.1998 59.5824 30.0871 177.9869 16 Y 3.9076 7.8205 118.8894 60.9093 38.7611 178.3756 17 I 3.5546 7.6277 120.6293 64.0912 37.1055 178.0910 18 E 3.8825 7.8484 120.1853 59.2686 29.5110 178.9128 19 L 3.8929 7.9169 119.2881 57.5766 41.3644 179.7437 20 V 3.3786 7.2730 117.3968 65.8922 31.5528 177.1731 21 D 4.4454 8.1272 117.2795 57.2956 41.1387 178.2229 22 V 3.8860 7.7203 118.0090 62.0428 31.8334 176.4417 23 G 3.6747 7.8607 107.1970 47.0571 0.0000 174.5774 24 D 4.5485 7.7118 120.5229 52.2993 40.1923 175.3119 25 I 3.5856 7.9282 126.4128 64.1778 37.3285 177.5218 26 E 3.9932 8.1308 118.5113 59.2807 29.1047 179.1085 27 A 4.0568 8.0879 120.1846 54.7855 18.6982 179.5601 28 I 3.6710 7.5261 118.3918 64.6274 37.0780 178.7935 29 V 3.7903 7.8196 118.9608 66.1192 31.0964 177.7859 30 Q 4.2215 7.8099 116.1911 58.3015 28.7941 177.8039 31 M 4.2433 8.1347 119.9943 56.8624 32.1079 176.0273 32 Y 4.5079 7.1386 115.8788 56.8837 39.2243 175.3611 33 A 4.3209 8.6813 126.1274 51.6850 19.2544 178.5893 34 D 4.5183 8.8459 119.6788 55.7537 39.3439 177.6083 35 D 5.0690 7.8254 117.5858 52.4949 40.0429 175.7003 36 A 4.4741 7.9720 121.4283 53.5281 19.9990 177.3426 37 T 4.9677 8.7018 115.1687 61.7187 72.3723 173.7126 38 V 4.8157 8.4537 124.2150 61.2630 35.0938 174.0455 39 E 4.7913 9.3239 127.3207 54.5705 31.7931 174.3708 40 D 5.0652 8.1953 124.0108 51.8884 43.6701 172.8283 41 P 4.6837 0.0000 0.0000 61.8734 33.0253 175.7281 42 F 4.1923 8.5829 124.8593 59.0791 39.6198 174.5918 43 G 3.4579 7.6215 116.1437 45.4991 0.0000 173.8469 44 Q 4.4051 7.1705 118.2375 52.8434 30.6940 173.6007 45 P 4.1996 0.0000 0.0000 62.3943 31.5337 174.5831 46 P 4.5760 0.0000 0.0000 63.1037 32.2836 175.4389 47 I 4.3625 8.6258 122.6061 60.2708 39.2580 174.1596 48 H 5.0530 8.9318 125.6312 55.4208 32.3225 173.8746 49 G 4.2143 8.8382 111.2103 46.1632 0.0000 174.5497 50 R 3.9100 8.2762 120.2692 58.9968 30.0305 179.1556 51 E 3.9431 8.1842 118.4863 59.6385 29.7182 178.8926 52 Q 4.0586 8.0208 117.4317 58.9460 28.8177 178.6203 53 I 3.7447 8.2242 121.1448 64.2086 37.0267 178.2999 54 A 4.1304 8.7534 121.8829 55.2442 18.1912 179.5510 55 A 3.9624 8.1632 119.3179 55.1654 18.4250 179.6703 56 F 4.0874 8.3048 119.1977 61.5912 39.5021 177.4958 57 F 3.8946 8.4146 117.4276 60.3629 38.7831 178.0461 58 R 4.1645 8.4494 118.1005 58.9104 29.5300 178.9069 59 Q 4.0157 7.6569 118.7061 58.8698 29.2329 177.9155 60 G 3.5129 7.5473 105.4440 47.0806 0.0000 174.4108 61 L 4.4772 7.9360 118.8684 53.9150 42.0437 176.5448 62 G 3.9033 7.3991 109.4456 45.2115 0.0000 174.2620 63 G 3.9373 8.9990 112.1190 46.1006 0.0000 174.0070 64 G 3.4910 8.1664 111.5876 47.3111 0.0000 173.5209 65 K 3.7378 7.9324 123.2899 54.1131 27.9652 176.2718 66 V 4.7440 7.7146 122.6277 60.6411 34.9397 174.2784 67 R 5.0217 8.8199 123.8571 54.4718 33.0575 174.9102 68 A 5.4428 9.1056 123.9408 50.7122 22.5774 175.2153 69 C 4.8273 8.9113 114.7641 56.5498 33.5042 173.5407 70 L 4.7228 8.6952 121.5957 54.9810 41.9472 176.9628 71 T 4.5344 8.4952 112.1201 60.3564 69.0852 173.8607 72 G 4.0361 7.4515 110.3099 44.8542 0.0000 171.5632 73 P 4.3912 0.0000 0.0000 62.3833 31.8724 176.0647 74 V 4.0189 8.1414 120.1456 62.9125 32.3872 175.2781 75 R 4.6164 9.1992 127.4554 55.0876 31.6738 175.3736 76 A 5.0734 8.4450 124.1947 50.5760 22.4737 175.4802 77 S 4.6963 8.5704 117.0496 57.3748 65.7534 174.1196 78 H 4.8196 8.7524 117.3160 56.1661 28.1631 175.0385 79 N 4.9702 7.6869 117.7978 52.5201 37.6481 175.1136 80 G 3.8720 8.3257 102.6201 47.9185 0.0000 173.0617 81 C 5.5269 7.2770 112.7269 58.0083 32.3568 173.2489 82 G 4.5626 8.9482 106.2829 45.8607 0.0000 171.9780 83 A 5.5519 9.2081 121.7066 50.6160 23.0406 175.2289 84 M 5.1983 9.1756 117.1955 53.3750 35.4919 171.7475 85 P 5.5281 0.0000 0.0000 61.4862 34.0213 173.9957 86 F 5.3352 8.9113 117.0460 55.9259 42.2766 172.6265 87 R 4.9058 9.1630 119.2436 54.4474 33.2776 174.0664 88 V 4.9183 8.8796 125.8364 61.2305 33.9314 174.0156 89 E 5.3199 9.4117 127.6961 55.0258 33.2205 175.2325 90 M 5.0953 8.7582 119.2641 54.8231 34.8513 174.3222 91 V 3.9234 8.7126 116.7963 66.6034 35.1309 178.0294 *92 W 4.0504 6.3577 118.5234 55.3501 24.4898 176.9955 93 N 5.3193 8.5573 132.5627 54.0270 39.7536 175.3339 94 G 4.0031 7.6512 106.5029 45.6387 0.0000 173.5470 95 Q 4.4595 7.3138 120.5120 53.2268 30.1916 173.1833 96 P 4.4802 0.0000 0.0000 63.7057 32.5871 174.8746 97 C 5.0514 9.0054 121.4953 57.7886 31.6659 173.0320 98 A 5.2397 8.6528 123.8829 50.0774 22.7083 174.6997 99 L 4.9095 8.6677 121.2964 53.6308 45.4813 174.7386 100 D 5.0936 8.5226 126.5537 53.1532 42.0169 176.2713 101 V 4.7264 8.3269 122.5474 61.0984 35.9132 173.9488 102 I 5.0858 8.4981 124.2652 59.4807 40.7619 174.1188 103 L 5.3961 9.2016 129.0226 53.3352 44.8402 174.9961 104 V 4.9979 8.9998 125.5499 61.4730 34.2996 174.1398 105 M 5.2040 9.3356 126.7769 53.4504 36.6527 174.2014 106 R 4.9431 8.3441 121.3310 54.7577 32.9549 174.7252 107 F 5.1003 9.7204 125.6073 56.3299 41.4579 174.8866 108 D 5.0582 8.9125 121.5419 51.5107 42.0320 176.9116 109 E 4.1891 9.0204 115.5220 58.6221 29.3387 177.0265 110 H 4.6869 9.0275 116.2444 55.4530 29.3461 174.6252 111 G 3.9524 8.5968 107.2129 46.0681 0.0000 173.8687 112 R 4.8213 7.9776 117.5679 53.8032 32.6289 175.3875 113 I 3.3472 8.1942 122.4996 61.5770 37.4814 176.5579 114 Q 4.1885 9.2169 129.9998 58.2299 30.3885 175.5834 115 T 5.2526 7.5244 107.4866 60.1600 72.7624 172.3821 116 M 5.2225 8.9754 122.6406 54.1501 36.1258 173.7117 117 Q 5.0499 9.3044 123.9178 54.1115 33.0818 173.7928 118 A 5.3363 8.9745 125.9358 50.5627 21.7381 174.6408 119 Y 4.8717 9.3576 121.8711 55.9800 39.7339 175.3354 120 W 4.8147 8.2374 122.3724 57.1947 30.2288 173.6125 121 S 4.1896 8.3354 114.2057 57.3825 65.6232 174.5375 122 E 4.0743 8.8662 118.4689 59.8467 29.1404 179.6418 123 V 3.8640 7.4485 109.6401 63.2437 31.9648 176.3916 124 N 4.8312 8.5323 117.3708 52.8926 38.8452 174.4198 125 L 4.9275 7.6370 118.8676 54.0211 42.7789 176.7937 126 S 4.4856 8.4455 116.0075 56.9979 65.2381 174.5767 127 V 4.1405 7.8867 123.2531 62.2208 32.2631 172.7726 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 3 L 8.18 4.28 0.00 1.62 1.69 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.20 0.00 1.91 1.75 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 1.86 2.04 0.00 5 T 9.21 4.25 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 6 A 8.43 3.92 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 7 Q 7.96 3.94 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.89 3.93 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 9 V 7.67 3.07 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 1.11 0.00 0.00 0.74 0.00 0.00 10 Q 7.95 4.05 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 11 G 7.84 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.14 4.00 0.00 1.38 1.71 0.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.40 4.18 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.70 0.00 14 A 8.01 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.08 3.84 0.00 1.91 2.13 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 Y 7.82 3.91 0.00 3.24 3.13 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 17 I 7.63 3.55 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.04 0.87 0.00 0.00 18 E 7.85 3.88 0.00 2.22 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 0.00 2.28 2.36 0.00 19 L 7.92 3.89 0.00 1.54 1.47 0.84 1.03 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 20 V 7.27 3.38 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 0.78 0.00 0.00 0.53 0.00 0.00 21 D 8.13 4.45 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.72 3.89 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 0.84 0.00 0.00 0.90 0.00 0.00 23 G 7.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.71 4.55 0.00 2.66 2.50 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 25 I 7.93 3.59 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.72 0.95 0.00 0.00 26 E 8.13 3.99 0.00 2.00 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 2.40 2.37 0.00 27 A 8.09 4.06 1.26 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 0.00 0.00 0.00 28 I 7.53 3.67 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.28 0.00 0.00 29 V 7.82 3.79 2.12 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 1.09 0.00 0.00 1.00 0.00 0.00 30 Q 7.81 4.22 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 31 M 8.13 4.24 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 32 Y 7.14 4.51 0.00 3.16 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 33 A 8.68 4.32 1.29 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 34 D 8.85 4.52 0.00 2.86 2.98 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 35 D 7.83 5.07 0.00 2.85 2.78 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 0.00 0.00 0.00 36 A 7.97 4.47 1.63 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 37 T 8.70 4.97 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 1.24 0.00 0.00 38 V 8.45 4.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 39 E 9.32 4.79 0.00 2.03 1.86 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 2.17 2.22 0.00 40 D 8.20 5.07 0.00 2.73 2.48 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 0.00 0.00 0.00 0.00 41 P 0.00 4.68 0.00 1.63 0.67 0.00 3.47 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 42 F 8.58 4.19 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.62 3.46 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 0.00 44 Q 7.17 4.41 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 45 P 0.00 4.20 0.00 2.11 2.00 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 46 P 0.00 4.58 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 47 I 8.63 4.36 1.62 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.28 0.86 0.00 0.00 48 H 8.93 5.05 0.00 3.10 3.11 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.84 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 0.00 0.00 0.00 0.00 50 R 8.28 3.91 0.00 1.85 2.04 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 51 E 8.18 3.94 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 2.40 2.43 0.00 52 Q 8.02 4.06 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 53 I 8.22 3.74 1.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.78 0.00 0.00 54 A 8.75 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.16 3.96 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 56 F 8.30 4.09 0.00 3.08 3.13 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 57 F 8.41 3.89 0.00 3.24 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 58 R 8.45 4.16 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 59 Q 7.66 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 60 G 7.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.48 0.00 1.74 1.69 0.98 0.98 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 62 G 7.40 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 63 G 9.00 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 0.00 0.00 0.00 64 G 8.17 3.49 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 0.00 0.00 0.00 0.00 65 K 7.93 3.74 0.00 1.96 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.98 7.81 66 V 7.71 4.74 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 1.06 0.00 0.00 0.91 0.00 0.00 67 R 8.82 5.02 0.00 1.77 1.78 0.00 3.14 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 68 A 9.11 5.44 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 69 C 8.91 4.83 0.00 3.04 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 70 L 8.70 4.72 0.00 1.60 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.50 4.53 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 1.25 0.00 0.00 72 G 7.45 4.04 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 0.00 0.00 0.00 73 P 0.00 4.39 0.00 2.20 2.08 0.00 3.78 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 74 V 8.14 4.02 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 0.85 0.00 0.00 0.96 0.00 0.00 75 R 9.20 4.62 0.00 1.95 1.82 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 76 A 8.45 5.07 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 77 S 8.57 4.70 0.00 3.74 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 78 H 8.75 4.82 0.00 3.15 3.30 0.00 5.64 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 79 N 7.69 4.97 0.00 2.88 2.99 0.00 0.00 6.08 7.30 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 80 G 8.33 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 0.00 0.00 0.00 81 C 7.28 5.53 0.00 2.88 2.82 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 82 G 8.95 4.56 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 0.00 0.00 0.00 83 A 9.21 5.55 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.18 5.20 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 85 P 0.00 5.53 0.00 2.16 2.23 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 86 F 8.91 5.34 0.00 3.39 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 87 R 9.16 4.91 0.00 1.86 1.80 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 88 V 8.88 4.92 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 0.98 0.00 0.00 1.13 0.00 0.00 89 E 9.41 5.32 0.00 1.88 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 2.20 2.21 0.00 90 M 8.76 5.10 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 91 V 8.71 3.92 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 0.97 0.00 0.00 0.93 0.00 0.00 *92 W 6.36 4.05 0.00 2.61 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 0.00 0.00 0.00 93 N 8.56 5.32 0.00 2.94 2.87 0.00 0.00 7.09 8.06 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 94 G 7.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.31 4.46 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 96 P 0.00 4.48 0.00 2.11 1.99 0.00 3.58 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 2.12 2.14 0.00 97 C 9.01 5.05 0.00 2.84 2.77 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 98 A 8.65 5.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.67 4.91 0.00 1.52 1.25 -0.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.52 5.09 0.00 2.62 2.53 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 0.00 101 V 8.33 4.73 0.75 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 1.20 0.00 0.00 0.42 0.00 0.00 102 I 8.50 5.09 1.97 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 1.16 0.62 0.94 0.00 0.00 103 L 9.20 5.40 0.00 2.14 1.63 1.30 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 V 9.00 5.00 2.19 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 1.02 0.00 0.00 0.98 0.00 0.00 105 M 9.34 5.20 0.00 1.36 1.77 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 106 R 8.34 4.94 0.00 1.87 1.69 0.00 3.10 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 1.52 1.60 0.00 107 F 9.72 5.10 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.91 5.06 0.00 2.77 2.86 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 0.00 109 E 9.02 4.19 0.00 2.05 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 0.00 2.27 2.24 0.00 110 H 9.03 4.69 0.00 3.21 3.37 0.00 5.91 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 0.00 111 G 8.60 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 0.00 112 R 7.98 4.82 0.00 2.20 1.93 0.00 3.16 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 113 I 8.19 3.35 1.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.18 0.39 0.00 0.00 114 Q 9.22 4.19 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 115 T 7.52 5.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 M 8.98 5.22 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 117 Q 9.30 5.05 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 118 A 8.97 5.34 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.36 4.87 0.00 3.02 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 0.00 120 W 8.24 4.81 0.00 3.47 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 0.00 121 S 8.34 4.19 0.00 3.85 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 0.00 122 E 8.87 4.07 0.00 2.13 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 2.45 2.50 0.00 123 V 7.45 3.86 2.12 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.53 4.83 0.00 3.17 3.03 0.00 0.00 6.82 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 0.00 125 L 7.64 4.93 0.00 1.82 1.62 1.15 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.45 4.49 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.89 4.14 2.09 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 1.07 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.