NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 D 4.5948 8.2227 119.5332 52.8494 41.9066 174.1322 10 S 4.5220 7.8845 115.3728 57.9071 63.2298 172.0346 11 Y 4.4018 9.1410 127.7770 60.4096 39.5132 175.2309 12 A 4.5896 7.5824 117.2906 50.9968 23.2751 175.4875 13 R 5.2704 8.6322 120.5365 55.0583 33.2969 174.4190 14 V 4.7495 9.2085 118.2906 60.0115 37.0635 174.1425 15 R 5.1593 8.6258 120.2618 54.9122 31.4995 175.8381 16 A 4.6230 8.8752 124.7389 50.6580 23.8476 174.2879 17 V 4.4214 8.3455 119.3155 61.2437 33.2969 175.2801 18 V 4.1830 8.3573 128.3302 63.1971 32.9176 174.5064 19 M 5.3657 9.0967 127.0600 54.0527 35.6159 174.6256 20 T 4.9523 9.0522 114.7455 60.6282 71.7023 172.1722 21 R 3.9311 7.8509 126.1662 54.1835 31.8257 174.9081 22 D 4.3255 8.6524 127.0454 53.8083 41.5287 176.6489 23 D 4.1712 8.6930 126.5497 56.9849 41.8500 177.5839 24 S 4.2100 8.0674 113.2981 61.1375 63.2824 175.4041 25 S 4.2042 8.0261 114.6334 57.9003 63.3344 175.4684 26 G 3.7877 8.2651 108.4658 44.8174 0.0000 173.7904 27 G 3.8428 7.8765 107.4389 45.9816 0.0000 173.0773 28 W 5.1168 8.6417 120.8011 55.2429 30.9745 175.6452 29 L 4.9189 9.0242 122.0032 52.8045 45.9248 175.7255 30 Q 4.5334 8.4540 119.9103 55.0127 30.0309 175.6667 31 L 4.1364 9.0337 127.7185 56.3854 42.5261 177.1862 32 G 3.6195 9.6176 113.3568 46.6501 0.0000 174.1606 33 G 3.8152 8.4775 105.5534 45.0745 0.0000 176.7287 34 G 3.6891 8.0308 106.4975 47.5950 0.0000 174.5612 35 G 4.0891 8.7231 107.8430 45.5251 0.0000 172.8185 36 L 4.4097 8.1825 120.4957 54.6519 43.0166 176.1878 37 S 5.1966 9.1062 118.4086 56.6112 66.8411 173.3483 38 S 4.6640 8.9749 118.6373 58.0383 63.3267 172.9212 39 V 5.0102 9.1043 128.2589 61.4195 33.9996 174.1288 40 T 5.4147 9.3654 122.8180 60.2431 71.0982 172.6881 41 V 4.9866 8.5484 126.5036 60.2780 33.5333 174.8719 42 S 5.1114 9.3713 120.7750 56.2407 67.8967 173.7307 43 K 4.5258 8.1371 120.8238 56.6930 32.4598 177.4857 44 T 3.9834 8.6141 119.2298 62.8890 67.8447 175.1377 *45 L 4.2573 8.5262 128.5272 56.4808 41.7255 178.1595 *46 Q 4.7021 7.8627 114.7308 53.3409 28.0944 179.0200 47 P 4.4707 0.0000 0.0000 62.8780 33.3477 178.8287 48 G 3.9306 7.7952 107.7191 47.1966 0.0000 174.0770 49 D 4.7569 8.7588 124.4780 53.0653 39.9090 176.6216 50 S 4.6840 7.5042 115.7130 57.1087 64.6716 175.5021 51 G 3.6544 8.9416 111.1729 46.8651 0.0000 174.2660 52 G 4.7939 7.5006 124.2137 45.6188 0.0000 172.6959 53 T 4.4265 8.2643 115.6959 61.3935 69.8293 174.1217 54 E 5.1653 7.8574 120.6039 54.7740 33.8862 174.0896 55 F 5.1633 9.0047 116.2427 55.2080 42.4359 172.8641 56 L 5.0640 9.2548 120.1743 53.2193 45.1706 174.9626 57 V 4.9430 8.6220 126.1845 61.5318 33.7856 173.7552 58 H 5.3491 9.4339 127.4855 54.4059 33.4450 172.0236 59 G 4.4013 9.3212 112.7329 44.3767 0.0000 170.7853 60 E 5.1628 9.0023 127.0192 54.0390 32.2300 175.0246 61 R 4.5548 9.0097 128.8553 55.9946 30.7959 177.4204 62 L 3.9836 8.7626 127.3009 58.0099 41.9845 178.6595 63 R 4.0383 8.1525 117.3149 58.6371 30.1049 176.6127 64 D 4.8614 7.9265 113.8687 51.9459 39.9768 175.7519 65 K 3.9988 7.6043 116.4823 58.7087 30.4243 175.1346 66 T 4.6072 7.4489 113.7417 61.4974 71.7831 174.8918 67 V 4.3367 8.5978 127.2214 63.0402 31.6093 175.3418 68 I 4.5363 8.6357 120.9565 60.4856 39.2228 175.3484 69 L 4.7357 7.6811 125.3847 53.6146 45.3642 174.5549 70 E 4.9958 8.8305 127.4256 55.3428 32.0619 173.7204 71 C 4.6900 9.2634 125.6416 57.7836 31.8504 173.5289 72 V 4.2885 8.4000 124.3068 61.9248 31.8748 174.8771 73 L 4.7121 8.3160 127.4848 53.0239 46.0089 175.6900 74 R 4.9025 7.8862 118.1038 54.5703 34.4211 176.2034 75 R 4.0514 8.8646 115.3713 59.2739 29.3996 177.2238 76 D 4.5475 8.0248 116.1502 53.7242 39.8662 176.1773 77 L 3.9500 7.7041 123.0855 55.6689 42.4134 176.0679 78 V 4.2044 8.5036 125.3338 61.3875 32.5327 174.0360 79 Y 4.7381 8.5574 129.3489 56.0738 39.9112 174.1904 80 N 4.5598 8.7916 125.8694 52.2501 40.2345 174.5991 81 K 4.3150 8.4476 123.3455 55.0777 33.3602 175.8595 82 V 3.9639 8.3917 125.6289 64.1714 32.3995 175.5487 83 T 4.8439 7.3918 107.2781 58.8411 71.8074 172.5319 84 P 4.4375 0.0000 0.0000 65.0690 31.4950 177.8425 85 T 4.9170 8.2649 107.6595 60.8876 70.7632 173.1199 86 F 5.4561 8.4317 124.3779 57.7531 42.5048 173.0683 87 H 5.1674 8.7613 122.6079 54.4615 33.1380 172.1015 88 H 4.9939 8.4165 115.0297 54.9005 32.3793 171.9905 89 W 5.7096 8.7325 116.2632 55.9643 31.8260 173.2897 90 R 5.2960 8.9816 114.9375 54.6045 32.1708 174.7035 91 I 4.6144 8.8264 119.4042 60.2487 40.2547 176.4869 92 G 3.7553 8.4093 116.8128 47.2893 0.0000 173.8539 93 D 4.6045 8.8466 123.9636 54.1557 41.1767 175.9691 94 K 4.1497 8.1311 120.8898 55.1815 33.0317 175.9264 95 K 4.8403 7.7618 122.1599 54.5185 34.9619 175.4306 96 F 4.9754 8.6898 120.2955 56.2158 43.7845 173.9518 97 G 3.7833 8.2993 107.0886 45.4828 0.0000 171.4322 98 L 5.1359 8.7245 118.6164 53.1981 46.1602 176.0564 99 T 4.9144 8.5796 120.3067 62.0961 70.2304 174.2759 100 F 4.8775 8.9211 125.9518 56.4333 40.1160 176.5844 101 Q 4.2242 8.9575 119.6742 58.4490 29.3636 177.0458 102 S 4.7042 7.7048 111.1112 55.5027 66.9292 173.2836 103 P 4.5413 0.0000 0.0000 65.1609 31.0509 178.9057 104 A 3.9865 7.9321 119.2144 55.1034 18.3190 179.2391 105 D 4.3002 8.1858 117.2879 57.4564 40.8742 178.8017 106 A 2.5800 7.5295 120.7984 54.6658 18.1693 179.9137 107 R 3.8089 8.0508 116.3501 59.2266 30.0901 179.1633 108 A 3.9386 7.9930 120.6304 55.0815 18.3074 179.5225 109 F 3.8841 8.3100 119.2863 61.3859 39.5248 176.8186 110 D 4.1261 8.3615 117.8352 57.4059 40.9116 178.4853 111 R 3.9036 8.2440 118.8901 58.9807 29.9741 179.1879 112 G 3.3813 7.8734 105.5221 47.7782 0.0000 175.6968 113 I 3.0902 7.2758 122.6855 63.9264 36.9785 178.8330 114 R 3.6700 7.5517 118.7295 59.0599 29.9528 179.3662 115 R 3.7437 7.8964 118.0248 58.9745 29.7792 178.9437 116 A 2.6537 6.6799 119.2854 54.6783 18.3564 179.4678 117 I 3.5307 6.9670 118.4678 64.2731 36.9304 178.5455 118 E 3.9447 7.8379 117.2163 58.6936 29.5305 177.9247 119 D 4.5717 7.3632 117.2771 53.5466 41.7654 176.6415 120 L 4.3483 7.0171 120.4182 55.1858 42.1871 177.2004 121 S 4.7336 8.6831 118.4689 56.5869 65.3546 173.6904 122 Q 4.1616 8.6158 119.0796 55.9745 29.4714 177.3045 123 G 3.7520 8.4411 108.5807 45.9449 0.0000 173.8750 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 *9 D 8.22 4.59 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.88 4.52 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.14 4.40 0.00 2.78 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 12 A 7.58 4.59 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 13 R 8.63 5.27 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 14 V 9.21 4.75 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.15 0.00 0.00 15 R 8.63 5.16 0.00 1.72 1.88 0.00 3.21 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 16 A 8.88 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.35 4.42 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 1.02 0.00 0.00 0.89 0.00 0.00 18 V 8.36 4.18 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 1.07 0.00 0.00 0.95 0.00 0.00 19 M 9.10 5.37 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 20 T 9.05 4.95 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 1.18 0.00 0.00 21 R 7.85 3.93 0.00 0.67 1.00 0.00 2.41 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 22 D 8.65 4.33 0.00 2.66 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 23 D 8.69 4.17 0.00 2.51 2.57 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 0.00 0.00 0.00 0.00 24 S 8.07 4.21 0.00 3.97 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 25 S 8.03 4.20 0.00 3.99 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 26 G 8.27 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.88 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 28 W 8.64 5.12 0.00 2.89 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 29 L 9.02 4.92 0.00 1.48 1.49 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.45 4.53 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 31 L 9.03 4.14 0.00 1.73 1.68 0.92 0.99 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 32 G 9.62 3.62 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 0.00 0.00 0.00 33 G 8.48 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.03 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.72 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 0.00 0.00 0.00 36 L 8.18 4.41 0.00 1.62 1.60 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.11 5.20 0.00 3.68 3.75 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 38 S 8.97 4.66 0.00 3.94 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 39 V 9.10 5.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 40 T 9.37 5.41 4.34 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 1.31 0.00 0.00 41 V 8.55 4.99 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 0.34 0.00 0.00 0.82 0.00 0.00 42 S 9.37 5.11 0.00 3.75 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 43 K 8.14 4.53 0.00 1.83 1.79 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.48 1.27 7.81 44 T 8.61 3.98 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 1.31 0.00 0.00 *45 L 8.53 4.26 0.00 1.71 1.56 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *46 Q 7.86 4.70 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 47 P 0.00 4.47 0.00 2.22 2.34 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 48 G 7.80 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 49 D 8.76 4.76 0.00 2.78 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 50 S 7.50 4.68 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.94 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.50 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.26 4.43 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 1.25 0.00 0.00 54 E 7.86 5.17 0.00 1.83 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 2.17 2.28 0.00 55 F 9.00 5.16 0.00 3.24 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 56 L 9.25 5.06 0.00 1.74 1.69 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.62 4.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.85 0.00 0.00 58 H 9.43 5.35 0.00 3.25 3.13 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 59 G 9.32 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 0.00 0.00 0.00 0.00 60 E 9.00 5.16 0.00 2.09 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 2.21 2.24 0.00 61 R 9.01 4.55 0.00 1.90 1.92 0.00 3.30 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 62 L 8.76 3.98 0.00 1.70 1.72 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.15 4.04 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 64 D 7.93 4.86 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 65 K 7.60 4.00 0.00 2.12 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.26 7.81 66 T 7.45 4.61 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 67 V 8.60 4.34 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 0.75 0.00 0.00 0.98 0.00 0.00 68 I 8.64 4.54 1.90 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 1.13 0.87 0.99 0.00 0.00 69 L 7.68 4.74 0.00 1.81 1.63 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.83 5.00 0.00 1.97 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 0.00 2.22 2.41 0.00 71 C 9.26 4.69 0.00 2.76 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 0.00 0.00 0.00 0.00 72 V 8.40 4.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 73 L 8.32 4.71 0.00 0.27 0.90 0.35 0.81 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 74 R 7.89 4.90 0.00 1.88 1.82 0.00 3.13 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 75 R 8.86 4.05 0.00 1.93 2.10 0.00 3.04 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 D 8.02 4.55 0.00 2.85 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 77 L 7.70 3.95 0.00 1.81 1.74 1.00 0.97 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 78 V 8.50 4.20 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 0.95 0.00 0.00 0.99 0.00 0.00 79 Y 8.56 4.74 0.00 2.94 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 80 N 8.79 4.56 0.00 2.15 2.42 0.00 0.00 6.54 9.10 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 81 K 8.45 4.31 0.00 1.51 1.64 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.76 1.23 7.81 82 V 8.39 3.96 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 0.95 0.00 0.00 0.82 0.00 0.00 83 T 7.39 4.84 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 84 P 0.00 4.44 0.00 2.24 2.17 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 85 T 8.26 4.92 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 1.31 0.00 0.00 86 F 8.43 5.46 0.00 2.99 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 87 H 8.76 5.17 0.00 3.25 2.60 0.00 5.71 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.42 4.99 0.00 2.81 2.23 0.00 5.47 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.73 5.71 0.00 3.55 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.98 5.30 0.00 2.12 2.03 0.00 3.19 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 91 I 8.83 4.61 2.23 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 1.39 1.19 1.03 0.00 0.00 92 G 8.41 3.76 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 0.00 0.00 0.00 93 D 8.85 4.60 0.00 2.66 2.67 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 94 K 8.13 4.15 0.00 2.02 1.33 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 95 K 7.76 4.84 0.00 1.28 1.61 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.08 7.81 96 F 8.69 4.98 0.00 1.51 2.25 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 97 G 8.30 3.78 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 0.00 0.00 0.00 98 L 8.72 5.14 0.00 0.97 0.52 0.66 0.95 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 99 T 8.58 4.91 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 1.18 0.00 0.00 100 F 8.92 4.88 0.00 2.91 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 0.00 101 Q 8.96 4.22 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 102 S 7.70 4.70 0.00 4.02 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 0.00 103 P 0.00 4.54 0.00 2.18 2.15 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 104 A 7.93 3.99 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 0.00 105 D 8.19 4.30 0.00 3.05 2.89 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 0.00 0.00 0.00 106 A 7.53 2.58 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.05 3.81 0.00 1.99 1.96 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 108 A 7.99 3.94 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 0.00 109 F 8.31 3.88 0.00 3.35 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 0.00 110 D 8.36 4.13 0.00 3.04 2.81 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 0.00 111 R 8.24 3.90 0.00 1.98 1.87 0.00 3.14 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 1.58 1.81 0.00 112 G 7.87 3.38 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 0.00 113 I 7.28 3.09 1.31 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.33 0.41 0.00 0.00 114 R 7.55 3.67 0.00 1.81 1.80 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 115 R 7.90 3.74 0.00 1.49 1.58 0.00 3.39 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 116 A 6.68 2.65 0.01 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 0.00 117 I 6.97 3.53 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.94 0.82 0.00 0.00 118 E 7.84 3.94 0.00 2.01 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 0.00 2.26 2.22 0.00 119 D 7.36 4.57 0.00 2.65 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 0.00 120 L 7.02 4.35 0.00 1.56 1.62 1.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.68 4.73 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 Q 8.62 4.16 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 123 G 8.44 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.