NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3369 8.2493 123.5822 51.7538 18.8189 176.5471 9 P 4.2254 0.0000 0.0000 62.6748 31.9668 172.0742 10 V 3.7383 7.9035 119.9582 64.4481 33.4318 175.3362 11 E 5.2866 8.8484 128.8797 54.3403 32.4749 174.9418 12 V 4.6677 9.0730 125.7857 61.4780 34.6674 174.1986 13 T 5.0692 10.0178 123.3983 60.8400 71.8357 172.4962 14 Y 5.1799 7.9026 135.0000 57.7980 41.1133 170.9717 15 K 4.0713 8.0302 127.0519 57.2409 34.3880 177.2699 16 N 4.5125 7.3831 114.6273 51.4958 36.8981 175.6780 *18 R 4.2557 7.4986 117.9129 57.2670 31.9079 174.7348 19 F 6.0714 9.3606 125.4171 55.0129 42.6292 174.6376 20 L 5.1415 8.7222 122.3482 53.5615 44.8561 174.8881 21 I 5.4264 9.0505 128.2264 59.4313 37.9935 175.2915 22 T 4.6685 8.4365 116.5126 60.0637 72.5476 174.0130 23 H 4.5841 8.3612 118.7942 55.1938 30.5689 174.1075 24 N 4.6253 8.3555 120.1398 51.7188 38.7900 174.3435 25 P 3.9587 0.0000 0.0000 61.9702 31.7167 174.6035 *28 A 4.2208 8.1283 119.1521 51.2615 20.4695 177.3066 29 T 4.5741 7.9608 108.3949 60.2406 70.1253 176.0879 30 L 4.4418 7.7045 124.0555 57.9876 43.6733 176.1369 31 N 4.2169 8.1657 116.0035 56.8044 38.6310 177.2561 32 K 4.3708 7.9888 120.1958 58.6724 32.3632 179.1188 33 F 4.4188 8.0754 120.7238 61.3051 39.3329 177.1815 34 I 3.5195 8.2479 120.0206 64.1527 36.5831 178.0589 35 E 3.9561 7.9655 119.0072 59.6726 29.4291 179.4260 36 E 4.0790 8.1059 118.0817 59.1327 29.4743 179.3398 37 L 3.8230 7.4589 118.6363 57.8666 41.7419 179.7163 38 K 3.9655 8.0835 118.2446 59.5017 31.7143 179.5929 39 K 4.0952 7.7888 117.4904 59.1709 32.0062 177.9773 40 Y 4.2940 7.8774 114.4508 57.0119 38.3088 175.4139 41 G 3.8353 8.1666 108.6100 46.5360 0.0000 173.9321 42 V 4.2764 7.7378 119.8170 62.5200 32.3968 175.2103 43 T 4.4889 8.5354 121.8587 63.3281 69.2506 174.2063 44 T 5.1223 7.6083 109.7898 59.9960 72.6885 172.5853 45 I 4.9595 8.9650 124.1221 59.2932 41.4205 174.0725 46 V 4.5179 9.2564 129.7584 61.2516 33.4731 174.3818 47 R 4.6303 8.9948 130.4704 55.8662 30.9531 176.7482 48 V 4.7904 8.8748 119.2459 60.9256 33.1071 175.1871 49 C 5.4628 7.5697 116.7517 56.5243 32.4322 173.1800 50 E 4.1357 8.7846 116.0227 55.9421 30.1863 176.2873 51 A 3.9542 8.4493 124.8640 53.0016 18.7616 177.4711 52 T 4.7144 8.0928 109.9059 60.9478 70.5956 172.8190 53 Y 4.6822 7.0588 117.7367 56.2752 40.4355 173.2437 54 D 4.4936 8.6049 121.3474 53.9955 41.7187 177.1902 55 T 4.3188 8.3949 117.9602 64.2277 69.0919 176.5601 56 T 4.1071 8.3013 113.1914 64.6629 68.3988 176.4489 57 L 4.0455 7.4268 120.1846 57.4772 41.8954 179.2502 58 V 3.7392 7.7855 117.7225 66.2419 31.7063 177.7540 59 E 4.7707 8.1547 119.6066 58.8131 29.0043 179.2940 60 K 3.9666 7.8615 118.9532 59.3265 32.3268 177.8940 61 E 4.2887 7.9809 116.4043 56.3496 29.7439 177.2188 62 G 4.0235 7.7297 106.9464 44.8837 0.0000 173.3523 63 I 4.3045 7.5254 121.2012 59.7388 39.3258 174.7556 64 H 4.8836 8.5711 124.5408 55.5599 30.0027 174.5054 65 V 4.8957 8.3608 121.5336 61.0578 34.2383 174.4979 66 L 4.4406 8.5402 126.4086 52.9166 45.0083 175.1410 67 D 4.7058 8.5411 123.6866 51.8514 40.8598 174.9677 68 W 5.0922 8.3062 126.2124 54.1529 28.7166 172.6024 69 P 5.5752 0.0000 0.0000 61.8950 32.0344 176.3997 70 F 5.1397 9.1128 117.5084 54.8043 41.1651 174.0727 71 D 4.2849 8.8950 119.5729 54.6491 41.2179 176.0503 72 D 4.0840 8.3401 122.6941 55.4695 41.8277 175.7847 73 G 4.1837 8.7052 117.2278 45.8778 0.0000 174.2523 74 A 4.0737 6.9721 120.0322 50.9339 18.9559 175.5690 75 P 4.0998 0.0000 0.0000 61.1513 32.0708 174.9806 76 P 4.5404 0.0000 0.0000 62.4545 32.1120 177.0023 77 S 4.3574 8.3534 115.8890 58.4318 64.9929 175.1952 78 N 4.4149 8.5865 119.6025 56.6300 38.2109 177.7427 79 Q 4.0028 7.9613 118.9248 58.5198 28.7635 178.6147 80 I 3.2310 7.1635 120.2079 64.2066 37.0593 178.5330 81 V 3.6864 7.5700 118.7458 66.2093 31.2946 177.0034 82 D 4.3426 8.0919 117.8008 57.5721 41.0189 177.7914 83 D 4.3003 8.2405 120.4776 56.3901 40.8457 178.9027 84 W 4.5787 8.2396 128.9977 60.7657 30.7576 178.0613 85 L 3.9763 8.4115 119.3228 57.3434 41.1342 179.5001 86 S 4.1853 8.1474 114.6417 60.9034 63.0219 176.1980 87 L 3.9680 8.0187 123.9851 57.9919 42.0351 178.8637 88 V 3.3841 7.2651 117.9806 66.0722 31.1859 177.8728 89 K 4.0404 7.7601 117.6465 59.2789 32.3012 178.0657 90 I 4.0829 7.5981 119.1059 63.1240 37.5675 177.7147 91 K 3.6358 8.0639 120.9280 59.8559 32.0613 178.8490 92 F 3.9747 7.3338 116.3821 60.1664 38.4670 177.7846 93 R 4.1922 7.7446 116.6898 58.6523 30.3830 177.8972 94 E 4.1520 8.6062 118.4713 57.9930 31.2896 176.9250 95 E 4.6289 8.7083 118.6725 52.8797 29.6041 172.5154 96 P 4.5260 0.0000 0.0000 63.6403 32.0988 177.1748 97 G 3.9304 9.0976 111.3056 45.3058 0.0000 172.8002 98 C 4.4839 7.7841 114.6640 57.7234 30.9185 172.1080 99 C 5.1645 8.4581 119.1209 57.6858 34.5005 172.3538 100 I 4.7659 8.4376 126.5161 59.7186 38.9807 174.3571 101 A 5.1266 8.9592 129.9200 50.8660 20.7630 175.8392 102 V 5.0404 9.0924 123.4021 61.3532 34.4333 174.1844 103 H 5.4391 9.1682 122.5022 54.2808 32.1115 172.4115 104 S 4.5794 8.1479 115.7090 58.0791 65.9060 174.3653 105 V 3.6498 8.8597 116.3497 65.2902 31.7953 177.6269 106 A 4.3723 7.8077 121.3610 51.4886 19.9893 177.7742 107 G 3.9505 8.2327 102.7340 45.8366 0.0000 174.1717 108 L 4.4224 7.8611 117.4838 53.9395 43.3765 176.6403 109 G 3.7181 7.3865 104.6061 45.2667 0.0000 174.9508 110 R 3.8163 8.6141 117.6161 58.9333 30.9807 178.1357 111 A 3.8817 7.8431 119.7103 54.7068 18.5239 177.8183 112 P 4.2383 0.0000 0.0000 65.4273 31.0921 178.7405 113 V 3.8682 7.5390 118.6427 66.1118 31.5480 177.8322 114 L 3.5248 7.4273 118.4945 57.6766 41.2821 179.6587 115 V 3.3631 7.4297 117.4631 65.7429 31.2474 177.9190 116 A 4.0364 8.2026 120.6010 55.3249 18.3396 179.4801 117 L 3.6468 8.1514 117.4352 57.8279 41.6241 179.8511 118 A 4.1842 8.3008 120.6091 55.3664 18.2378 179.6762 119 L 4.1164 7.9103 116.1404 57.9063 41.8782 179.7351 120 I 3.8817 8.0904 119.9808 64.6305 36.9560 178.3189 121 E 4.3191 8.2339 117.9806 59.3109 29.3758 179.1838 122 G 3.9069 8.0209 103.9431 44.6533 0.0000 173.6160 123 G 4.2458 8.1551 111.3872 46.2777 0.0000 174.2269 *125 K 4.1124 7.7356 119.5807 56.0998 35.1487 175.8227 126 Y 4.1874 8.6203 121.3267 60.7588 37.4973 179.0209 127 E 3.2519 7.1052 119.3431 59.0354 29.6027 178.9552 128 D 4.2874 7.8242 118.0698 57.1435 40.8611 178.5970 129 A 3.9151 8.0713 121.6629 54.9476 18.3100 179.6877 130 V 3.2568 7.7892 116.7602 66.2175 31.5234 178.0813 131 Q 3.9742 7.9514 117.4846 59.1738 28.4478 178.5252 132 F 3.9553 7.9943 119.9968 61.7047 39.5325 177.1130 133 I 4.0564 8.0346 118.9622 64.4664 37.2774 178.6161 134 R 4.9241 8.4958 120.3937 58.5922 29.5895 178.8062 135 Q 4.0331 8.2982 119.0515 58.2782 29.0060 177.3598 136 K 4.6061 8.1769 118.4041 55.8875 33.6629 176.0428 137 R 4.3263 7.2523 117.6389 54.5396 30.4780 175.5849 138 R 3.3819 7.4021 121.7608 58.0937 31.9248 176.8925 139 G 3.9774 7.4987 110.2586 44.3365 0.0000 173.3341 140 A 3.9503 7.7008 120.8215 54.1715 19.4099 177.9465 141 F 4.9824 7.8591 112.8979 54.9836 43.1573 173.7695 142 N 5.0414 8.6940 120.7443 51.4421 40.9653 175.0218 143 S 3.9928 8.7124 114.0583 62.5706 62.6893 176.9678 144 K 3.8971 8.0536 119.6548 59.9781 32.1742 179.0681 145 Q 4.1292 8.5861 118.0011 59.3920 28.7495 179.4020 146 L 3.9628 8.4244 119.9884 57.5132 41.4302 179.4320 147 L 3.8657 8.0563 120.5879 58.0771 41.5669 178.2673 148 Y 4.2490 8.5322 119.7741 60.9976 38.5894 178.3194 149 L 3.7111 7.7397 118.1348 57.4393 41.6631 178.8593 150 E 2.6903 7.3367 118.7133 57.6700 29.5197 177.8830 151 K 4.3431 7.0799 115.7297 55.0009 32.9352 175.8117 152 Y 3.8493 6.9220 120.7658 57.3188 39.1756 175.0533 153 R 4.2681 7.4028 126.1722 53.5486 31.2740 174.5050 154 P 4.8288 0.0000 0.0000 62.1288 32.7781 176.5407 155 K 4.1691 8.8220 117.0625 56.7214 32.7551 176.4354 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 8 A 8.25 4.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.23 0.00 2.46 2.23 0.00 3.79 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 2.01 2.09 0.00 10 V 7.90 3.74 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 1.04 0.00 0.00 0.97 0.00 0.00 11 E 8.85 5.29 0.00 2.17 1.90 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 2.32 2.67 0.00 12 V 9.07 4.67 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 1.52 0.00 0.00 1.06 0.00 0.00 13 T 10.02 5.07 4.40 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 1.28 0.00 0.00 14 Y 7.90 5.18 0.00 2.99 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 15 K 8.03 4.07 0.00 1.46 1.47 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.59 7.81 16 N 7.38 4.51 0.00 2.72 2.73 0.00 0.00 5.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 R 7.50 4.26 0.00 1.89 2.07 0.00 3.18 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 19 F 9.36 6.07 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.72 5.14 0.00 1.82 1.56 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.05 5.43 1.89 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 1.00 1.90 0.90 0.00 0.00 22 T 8.44 4.67 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 1.31 0.00 0.00 23 H 8.36 4.58 0.00 3.08 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.36 4.63 0.00 2.87 2.71 0.00 0.00 6.87 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 3.96 0.00 1.63 0.68 0.00 3.40 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.76 0.00 *28 A 8.13 4.22 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 29 T 7.96 4.57 4.19 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 1.18 0.00 0.00 30 L 7.70 4.44 0.00 1.73 1.68 0.78 0.71 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 31 N 8.17 4.22 0.00 2.78 2.91 0.00 0.00 7.11 6.92 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 32 K 7.99 4.37 0.00 1.83 1.88 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.36 7.81 33 F 8.08 4.42 0.00 3.02 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 34 I 8.25 3.52 1.97 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 1.44 0.71 0.85 0.00 0.00 35 E 7.97 3.96 0.00 2.18 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 2.34 2.36 0.00 36 E 8.11 4.08 0.00 1.99 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 2.54 0.00 37 L 7.46 3.82 0.00 1.68 1.53 0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.08 3.97 0.00 1.79 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.72 7.81 39 K 7.79 4.10 0.00 2.08 1.91 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 40 Y 7.88 4.29 0.00 3.03 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 G 8.17 3.84 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 0.00 0.00 0.00 42 V 7.74 4.28 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 0.78 0.00 0.00 0.97 0.00 0.00 43 T 8.54 4.49 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 1.18 0.00 0.00 44 T 7.61 5.12 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 1.18 0.00 0.00 45 I 8.97 4.96 1.88 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 1.27 1.80 0.99 0.00 0.00 46 V 9.26 4.52 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 0.86 0.00 0.00 0.97 0.00 0.00 47 R 8.99 4.63 0.00 2.02 1.79 0.00 3.31 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 48 V 8.87 4.79 2.65 0.00 0.00 0.00 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 1.02 0.00 0.00 49 C 7.57 5.46 0.00 2.91 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 50 E 8.78 4.14 0.00 2.09 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 2.28 2.30 0.00 51 A 8.45 3.95 1.18 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 0.00 0.00 52 T 8.09 4.71 4.33 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 1.34 0.00 0.00 53 Y 7.06 4.68 0.00 3.05 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 54 D 8.60 4.49 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.39 4.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 56 T 8.30 4.11 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 57 L 7.43 4.05 0.00 1.78 1.82 1.03 0.90 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 58 V 7.79 3.74 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 1.07 0.00 0.00 1.12 0.00 0.00 59 E 8.15 4.77 0.00 2.08 2.01 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 2.35 2.47 0.00 60 K 7.86 3.97 0.00 1.95 2.04 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 61 E 7.98 4.29 0.00 2.10 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 2.50 2.45 0.00 62 G 7.73 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 63 I 7.53 4.30 1.81 0.00 0.00 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 1.27 0.90 0.91 0.00 0.00 64 H 8.57 4.88 0.00 3.12 3.17 0.00 5.57 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 65 V 8.36 4.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.01 0.00 0.00 66 L 8.54 4.44 0.00 0.95 0.13 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.54 4.71 0.00 2.58 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 68 W 8.31 5.09 0.00 3.40 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 69 P 0.00 5.58 0.00 2.03 2.20 0.00 3.80 0.00 0.00 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 70 F 9.11 5.14 0.00 2.98 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 71 D 8.89 4.28 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.34 4.08 0.00 2.50 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 73 G 8.71 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 0.00 0.00 0.00 74 A 6.97 4.07 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 75 P 0.00 4.10 0.00 1.80 0.89 0.00 3.60 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 1.89 1.79 0.00 76 P 0.00 4.54 0.00 1.91 1.59 0.00 3.15 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 2.02 1.99 0.00 77 S 8.35 4.36 0.00 4.04 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 78 N 8.59 4.41 0.00 2.83 2.92 0.00 0.00 6.83 7.59 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 79 Q 7.96 4.00 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 80 I 7.16 3.23 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.56 0.00 0.00 81 V 7.57 3.69 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 1.32 0.00 0.00 1.08 0.00 0.00 82 D 8.09 4.34 0.00 3.09 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 83 D 8.24 4.30 0.00 1.58 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 0.00 0.00 0.00 84 W 8.24 4.58 0.00 3.53 3.25 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 85 L 8.41 3.98 0.00 1.90 1.75 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.15 4.19 0.00 4.06 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 87 L 8.02 3.97 0.00 1.98 1.90 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.27 3.38 1.94 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 1.30 0.00 0.00 0.22 0.00 0.00 89 K 7.76 4.04 0.00 1.91 2.00 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 90 I 7.60 4.08 1.83 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 1.40 0.58 0.89 0.00 0.00 91 K 8.06 3.64 0.00 1.65 1.16 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.05 1.19 7.81 92 F 7.33 3.97 0.00 3.28 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 93 R 7.74 4.19 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 94 E 8.61 4.15 0.00 2.05 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 2.30 2.33 0.00 95 E 8.71 4.63 0.00 2.02 1.80 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 2.18 2.19 0.00 96 P 0.00 4.53 0.00 2.04 2.04 0.00 3.75 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 97 G 9.10 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 0.00 0.00 0.00 98 C 7.78 4.48 0.00 3.09 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 99 C 8.46 5.16 0.00 3.06 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 0.00 100 I 8.44 4.77 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.24 1.13 0.00 0.00 101 A 8.96 5.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.09 5.04 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 0.94 0.00 0.00 1.35 0.00 0.00 103 H 9.17 5.44 0.00 3.50 3.48 0.00 5.26 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.15 4.58 0.00 3.62 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 0.00 105 V 8.86 3.65 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 0.76 0.00 0.00 0.89 0.00 0.00 106 A 7.81 4.37 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 0.00 107 G 8.23 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 0.00 108 L 7.86 4.42 0.00 1.53 1.71 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.39 3.72 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 0.00 0.00 0.00 110 R 8.61 3.82 0.00 1.70 2.03 0.00 2.47 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 111 A 7.84 3.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.24 0.00 1.76 2.16 0.00 3.53 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 1.72 1.72 0.00 113 V 7.54 3.87 2.37 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 1.30 0.00 0.00 1.12 0.00 0.00 114 L 7.43 3.52 0.00 0.73 0.13 0.32 0.78 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 0.00 115 V 7.43 3.36 2.20 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 0.98 0.00 0.00 0.72 0.00 0.00 116 A 8.20 4.04 1.48 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 0.00 0.00 117 L 8.15 3.65 0.00 1.93 1.63 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.30 4.18 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.91 4.12 0.00 1.78 1.58 0.93 0.74 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 0.00 120 I 8.09 3.88 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 1.06 0.00 0.00 121 E 8.23 4.32 0.00 2.20 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 0.00 2.68 2.64 0.00 122 G 8.02 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 0.00 0.00 0.00 123 G 8.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.74 4.11 0.00 2.06 1.97 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 126 Y 8.62 4.19 0.00 3.17 3.24 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 0.00 127 E 7.11 3.25 0.00 1.76 1.67 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 2.04 1.47 0.00 128 D 7.82 4.29 0.00 2.70 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 0.00 129 A 8.07 3.92 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 0.00 130 V 7.79 3.26 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 0.99 0.00 0.00 0.79 0.00 0.00 131 Q 7.95 3.97 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 132 F 7.99 3.96 0.00 3.07 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.03 4.06 2.32 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 1.76 0.83 1.08 0.00 0.00 134 R 8.50 4.92 0.00 2.07 2.04 0.00 3.31 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.68 0.00 135 Q 8.30 4.03 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 K 8.18 4.61 0.00 1.74 1.83 0.00 1.48 0.00 0.00 1.42 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.45 7.81 137 R 7.25 4.33 0.00 1.94 1.76 0.00 3.16 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 138 R 7.40 3.38 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.23 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 139 G 7.50 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 0.00 140 A 7.70 3.95 1.36 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 0.00 0.00 141 F 7.86 4.98 0.00 2.99 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 0.00 142 N 8.69 5.04 0.00 3.02 2.94 0.00 0.00 7.09 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 0.00 143 S 8.71 3.99 0.00 3.90 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 0.00 144 K 8.05 3.90 0.00 1.94 1.89 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 145 Q 8.59 4.13 0.00 2.46 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 146 L 8.42 3.96 0.00 1.86 1.74 0.99 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.06 3.87 0.00 1.92 1.93 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.53 4.25 0.00 3.02 3.24 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 0.00 149 L 7.74 3.71 0.00 1.41 1.51 0.64 0.67 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 0.00 150 E 7.34 2.69 0.00 1.16 1.79 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 2.16 2.18 0.00 151 K 7.08 4.34 0.00 1.67 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.51 7.81 152 Y 6.92 3.85 0.00 2.57 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 0.00 153 R 7.40 4.27 0.00 1.53 1.66 0.00 3.16 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 154 P 0.00 4.83 0.00 2.25 2.26 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 155 K 8.82 4.17 0.00 1.77 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.