NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2631 8.3144 121.7909 56.2122 32.9602 176.5954 8 V 4.2278 8.3521 116.6433 59.7653 34.0443 172.1237 9 L 4.4764 9.3479 131.5330 53.5412 43.5654 175.0325 10 K 4.4340 8.7635 127.0895 55.6875 33.5999 176.0025 11 I 4.9361 8.3852 125.2785 59.4328 40.0836 174.6085 12 Q 4.4885 9.7116 128.9602 54.2672 31.3588 174.4407 13 L 4.7231 8.5427 127.6997 54.0928 41.6181 177.1105 14 R 4.3557 9.0806 124.2427 57.1407 30.7973 176.8275 15 S 4.4818 7.7402 111.6096 57.1928 65.0231 176.4094 16 A 3.9954 8.8027 124.2888 55.4706 18.0328 179.2836 17 S 4.2450 7.7707 109.8258 60.2784 63.1970 174.5956 18 A 4.5266 7.7363 123.2226 51.1090 18.9820 176.7259 19 T 4.4223 8.1169 117.8330 61.0139 70.8951 174.6136 20 V 3.6008 8.3354 125.8494 62.6479 31.9319 173.8300 21 P 5.3122 0.0000 0.0000 62.7048 32.0854 175.7325 22 T 4.8277 8.7166 111.8904 59.8125 71.9584 172.9738 23 K 4.5172 8.6399 127.8198 56.3291 33.0387 176.5075 *25 S 4.1681 8.5891 120.1755 58.6897 64.0668 174.8946 26 A 4.0980 8.5699 124.1840 54.9791 18.1787 178.7467 27 T 4.2189 7.0664 100.7278 61.6736 69.7773 175.2412 28 A 3.8995 7.4915 125.1622 52.4741 18.7459 177.6298 29 A 4.0261 8.5976 125.3523 54.7882 18.7054 177.1253 30 G 4.2080 7.3921 100.2575 45.5694 0.0000 171.4787 31 Y 4.8795 8.7364 117.4890 55.9135 40.3030 175.7542 32 D 4.6364 9.5739 124.9317 54.8486 42.3074 175.2963 33 I 4.8324 8.5765 124.0474 59.8568 39.5998 174.0607 34 Y 5.1359 8.7412 124.0706 55.7530 40.0465 175.6207 35 A 4.4870 9.3210 126.7145 52.5786 19.4406 177.8679 36 S 4.8637 8.9793 114.8269 58.4753 64.1149 173.9829 37 Q 4.6893 7.7706 117.9988 54.3286 32.7704 174.3450 38 D 4.7365 8.6526 121.2981 55.0023 41.8219 175.4769 39 I 4.4219 8.4708 119.7734 60.5146 42.1180 172.9555 40 T 4.9631 8.4029 123.2237 61.8136 71.0812 173.8477 41 I 4.2716 8.7868 128.0112 59.5087 38.5108 173.7444 42 P 4.9025 0.0000 0.0000 62.0132 32.5342 176.1961 43 A 4.1099 9.2010 126.7368 54.4354 18.6596 177.5135 44 M 3.3453 8.1202 119.4234 55.3635 30.9441 177.2169 45 G 4.1705 7.9142 107.2273 45.3898 0.0000 171.5735 46 Q 5.2981 8.8446 121.5849 54.8944 32.9091 175.4025 47 G 4.2725 8.8090 110.0355 45.6779 0.0000 171.2194 48 M 5.2757 8.3508 118.7379 53.7617 35.2686 174.0684 49 V 4.3984 8.7369 126.4630 61.2856 33.9043 175.0902 50 S 4.8742 8.6842 123.9001 58.7510 63.8263 174.8929 51 T 4.3382 8.7171 111.3871 60.5682 70.8209 174.4141 52 D 4.4095 8.8811 121.0511 55.0546 39.1151 172.7047 53 I 5.2275 7.4830 111.0982 59.3287 41.1677 174.2880 54 S 5.0379 8.9456 118.8269 56.8455 66.9558 173.0347 55 F 5.9655 7.8402 115.6246 55.2485 41.3673 173.8111 56 T 4.6717 8.5133 117.0475 61.9342 70.2185 174.5786 57 V 4.2751 8.6506 120.3570 60.3107 32.6816 174.3619 58 P 4.5528 0.0000 0.0000 62.3919 32.7910 175.7075 59 V 3.6731 8.1644 119.9829 64.2333 32.0854 176.2708 60 G 4.0172 9.3574 114.4003 45.2338 0.0000 172.2446 61 T 5.7178 7.6688 108.5077 58.8476 72.2863 172.2354 62 Y 4.9767 8.2985 118.5660 55.1110 42.3689 174.3409 63 G 4.1381 9.3165 107.9722 45.0687 0.0000 172.6941 64 R 5.1362 8.8837 127.6415 55.0766 31.8579 175.2965 65 I 4.6656 8.8203 128.5505 60.8101 37.4154 175.0989 66 A 4.9108 9.3864 130.1767 48.9843 22.4107 173.6498 67 P 4.6182 0.0000 0.0000 62.4196 32.3762 176.8696 68 R 4.0824 8.4814 122.5962 55.9594 30.9611 177.6319 69 S 4.1771 9.0298 119.7597 61.6392 62.8705 176.6894 70 G 3.8305 8.1507 107.7943 48.2948 0.0000 175.4789 71 L 4.0488 7.8215 120.7467 56.5992 41.5240 179.3813 72 A 4.1921 7.6240 122.5569 54.3562 18.1493 179.8539 73 V 3.4855 7.7822 115.8556 66.2496 31.8127 178.0780 74 K 4.2079 8.2575 116.8467 57.9435 32.2343 177.4482 75 N 4.7378 7.8428 113.0041 51.9529 40.5096 174.9547 76 G 3.8232 7.8859 106.8418 46.1568 0.0000 172.7133 77 I 4.5212 7.4121 121.3501 60.3504 38.3660 174.7613 78 Q 4.8420 9.0324 129.0284 54.0639 31.7996 174.8040 79 T 4.4293 8.6898 116.1861 61.8892 69.7978 173.6218 80 G 3.9631 8.3111 111.1355 43.5389 0.0000 175.9015 81 A 3.6062 10.0998 124.8273 51.8972 18.0246 180.1704 82 G 3.9841 9.2333 112.3607 47.2668 0.0000 172.7289 83 V 4.3342 7.3713 118.9063 61.9845 31.2144 174.4906 84 V 4.0929 8.8768 128.1412 61.4186 32.8830 174.8929 85 D 4.9656 8.6409 127.8967 53.7900 41.7305 177.6868 86 R 4.0154 8.9669 121.6703 59.0901 30.1880 176.9020 87 D 4.6930 8.0355 114.7106 53.1151 39.9568 175.2149 88 Y 4.4152 7.9205 122.7662 57.5039 39.0492 174.9115 89 T 4.1848 7.8857 115.6080 60.9936 69.6559 174.1149 90 G 3.4313 5.8326 111.3304 44.2371 0.0000 172.9553 91 E 3.9687 8.3222 120.1053 56.2416 29.9023 176.1725 92 V 4.0407 9.0018 127.4147 62.6148 31.7100 175.2271 93 K 4.8006 8.6771 127.2346 54.7109 35.0125 176.2106 94 V 4.1694 8.6760 123.7094 61.0501 33.1252 175.1743 95 V 3.9934 8.2679 129.3383 62.9728 32.5448 174.4856 96 L 5.0345 8.9298 128.1667 52.8863 45.0314 175.2915 97 F 5.4244 9.1831 121.8959 55.8594 41.4339 174.1355 98 N 5.1659 9.6139 123.1274 52.6241 39.8495 174.5801 99 H 4.7037 9.7247 124.5785 56.5213 29.6484 175.8616 100 S 4.5836 8.5000 114.9617 57.3675 65.3288 174.6718 101 Q 4.5631 8.5783 116.3240 55.8321 28.6894 175.6299 102 R 4.7437 7.9716 118.1446 53.9669 32.4118 175.6859 103 D 4.7277 8.9824 123.5672 54.8848 41.9963 175.7245 104 F 4.9475 9.5545 124.6736 56.4710 41.2992 174.1553 105 A 4.4380 8.1550 128.7836 51.2508 19.5795 176.1635 106 I 4.3754 8.6017 123.7724 59.2743 40.4362 174.8698 107 K 5.0249 9.0692 125.9712 53.9160 34.8025 175.6906 108 K 4.0539 8.8522 124.5488 58.2412 32.5093 176.8961 109 G 4.1575 9.2691 114.5065 45.4850 0.0000 173.4960 110 D 4.6656 8.3177 120.7320 54.0016 42.2053 176.0480 111 R 4.2684 8.4730 121.9665 56.4059 30.1322 176.6971 112 V 4.5202 8.5976 116.1168 61.1676 34.2649 174.8222 113 A 4.5603 7.3512 120.7838 51.3874 22.6290 174.5876 114 Q 5.0200 9.0125 116.5625 54.5082 32.3711 174.2290 115 L 5.2014 9.1248 123.7532 53.7861 44.0504 174.9296 116 I 4.6022 8.6468 127.4961 59.6241 39.9708 175.4074 117 L 4.6350 8.4341 127.4723 53.4545 40.7314 174.3044 118 E 4.0025 8.1696 121.9123 55.6877 30.4936 176.4535 119 K 4.7715 8.6462 125.0711 56.6230 32.8528 176.3472 120 I 4.7563 8.4772 116.4786 59.4489 41.3483 174.6985 121 V 4.0452 8.4192 123.1253 62.0551 31.4502 175.1731 122 D 4.8897 8.7365 126.4342 53.1854 40.7689 176.1696 123 D 4.9439 7.8106 119.5193 52.6816 39.8902 176.1323 124 A 4.2544 7.9558 121.3473 53.0359 19.5123 177.5076 125 Q 4.4381 8.3280 119.5972 54.5836 29.9720 175.9544 126 I 4.0099 8.1972 124.1740 60.7715 37.9840 175.5891 127 V 4.2784 8.0822 123.7671 60.9739 33.7270 174.6738 128 V 4.0603 8.3464 127.2846 62.1540 32.3646 175.3152 129 V 4.6184 7.8749 118.5642 59.5422 35.6061 175.5115 130 D 4.5178 8.7949 122.1294 56.8620 40.9665 176.9740 131 S 4.7375 7.5030 110.1579 56.2738 66.3118 173.6900 132 L 4.1955 8.4029 119.7040 55.1638 41.5084 177.0338 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 7 K 8.31 4.26 0.00 1.74 1.33 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 8 V 8.35 4.23 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 0.81 0.00 0.00 0.93 0.00 0.00 9 L 9.35 4.48 0.00 1.49 1.35 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.76 4.43 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.43 7.81 11 I 8.39 4.94 1.86 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 1.15 0.80 0.94 0.00 0.00 12 Q 9.71 4.49 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.54 4.72 0.00 1.56 1.62 0.91 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 14 R 9.08 4.36 0.00 1.72 1.96 0.00 3.15 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 15 S 7.74 4.48 0.00 3.93 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 16 A 8.80 4.00 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 17 S 7.77 4.24 0.00 3.88 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 18 A 7.74 4.53 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 19 T 8.12 4.42 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 0.20 0.00 0.00 20 V 8.34 3.60 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 0.78 0.00 0.00 0.90 0.00 0.00 21 P 0.00 5.31 0.00 1.90 2.23 0.00 3.71 0.00 0.00 4.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 22 T 8.72 4.83 4.37 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 1.34 0.00 0.00 23 K 8.64 4.52 0.00 1.49 1.61 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.04 0.26 7.81 *25 S 8.59 4.17 0.00 3.99 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 26 A 8.57 4.10 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 27 T 7.07 4.22 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 28 A 7.49 3.90 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 29 A 8.60 4.03 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 30 G 7.39 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 31 Y 8.74 4.88 0.00 2.89 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 32 D 9.57 4.64 0.00 2.61 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 0.00 0.00 0.00 0.00 33 I 8.58 4.83 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 1.00 0.00 0.00 34 Y 8.74 5.14 0.00 2.86 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 35 A 9.32 4.49 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 36 S 8.98 4.86 0.00 3.88 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 37 Q 7.77 4.69 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 38 D 8.65 4.74 0.00 2.55 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 39 I 8.47 4.42 1.87 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 1.23 1.24 0.91 0.00 0.00 40 T 8.40 4.96 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 1.22 0.00 0.00 41 I 8.79 4.27 2.08 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 1.45 1.22 1.02 0.00 0.00 42 P 0.00 4.90 0.00 2.11 2.00 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 43 A 9.20 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.12 3.35 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 45 G 7.91 4.17 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 0.00 46 Q 8.84 5.30 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 47 G 8.81 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 0.00 0.00 0.00 0.00 48 M 8.35 5.28 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 49 V 8.74 4.40 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 0.82 0.00 0.00 0.96 0.00 0.00 50 S 8.68 4.87 0.00 3.84 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 51 T 8.72 4.34 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 1.33 0.00 0.00 52 D 8.88 4.41 0.00 2.94 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 53 I 7.48 5.23 1.98 0.00 0.00 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 1.35 1.09 1.02 0.00 0.00 54 S 8.95 5.04 0.00 3.68 3.58 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 0.00 0.00 0.00 0.00 55 F 7.84 5.97 0.00 2.92 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 56 T 8.51 4.67 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 1.32 0.00 0.00 57 V 8.65 4.28 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 0.84 0.00 0.00 1.06 0.00 0.00 58 P 0.00 4.55 0.00 2.12 2.31 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 59 V 8.16 3.67 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 0.82 0.00 0.00 0.95 0.00 0.00 60 G 9.36 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 61 T 7.67 5.72 4.30 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 1.21 0.00 0.00 62 Y 8.30 4.98 0.00 3.25 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 63 G 9.32 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 0.00 0.00 0.00 64 R 8.88 5.14 0.00 1.66 1.76 0.00 3.23 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 65 I 8.82 4.67 1.92 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 1.31 0.82 0.95 0.00 0.00 66 A 9.39 4.91 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 67 P 0.00 4.62 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 R 8.48 4.08 0.00 1.83 1.82 0.00 3.08 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 S 9.03 4.18 0.00 3.83 3.89 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 70 G 8.15 3.83 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 0.00 0.00 0.00 71 L 7.82 4.05 0.00 1.54 1.31 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.62 4.19 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 73 V 7.78 3.49 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 0.85 0.00 0.00 0.98 0.00 0.00 74 K 8.26 4.21 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 75 N 7.84 4.74 0.00 2.36 2.38 0.00 0.00 6.93 7.65 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 76 G 7.89 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 77 I 7.41 4.52 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.82 0.00 0.00 78 Q 9.03 4.84 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 79 T 8.69 4.43 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 1.24 0.00 0.00 80 G 8.31 3.96 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 0.00 0.00 0.00 81 A 10.10 3.61 0.95 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 82 G 9.23 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 83 V 7.37 4.33 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 0.38 0.00 0.00 0.82 0.00 0.00 84 V 8.88 4.09 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 0.91 0.00 0.00 1.03 0.00 0.00 85 D 8.64 4.97 0.00 2.75 2.85 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 86 R 8.97 4.02 0.00 1.86 2.04 0.00 3.28 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 87 D 8.04 4.69 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 88 Y 7.92 4.42 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 89 T 7.89 4.18 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 1.19 0.00 0.00 90 G 5.83 3.43 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 0.00 91 E 8.32 3.97 0.00 1.92 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 2.31 2.30 0.00 92 V 9.00 4.04 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 0.86 0.00 0.00 0.34 0.00 0.00 93 K 8.68 4.80 0.00 1.65 1.84 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.37 7.81 94 V 8.68 4.17 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 1.01 0.00 0.00 0.98 0.00 0.00 95 V 8.27 3.99 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 0.39 0.00 0.00 0.82 0.00 0.00 96 L 8.93 5.03 0.00 1.56 1.51 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.18 5.42 0.00 2.96 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 98 N 9.61 5.17 0.00 2.80 2.90 0.00 0.00 6.87 8.54 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 99 H 9.72 4.70 0.00 3.14 3.33 0.00 5.70 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 0.00 100 S 8.50 4.58 0.00 3.92 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 0.00 101 Q 8.58 4.56 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 102 R 7.97 4.74 0.00 1.69 1.87 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 103 D 8.98 4.73 0.00 2.59 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 0.00 104 F 9.55 4.95 0.00 2.99 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 0.00 105 A 8.15 4.44 1.07 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 0.00 0.00 106 I 8.60 4.38 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.32 0.89 0.00 0.00 107 K 9.07 5.02 0.00 1.79 1.67 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.47 7.81 108 K 8.85 4.05 0.00 1.83 1.77 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.68 7.81 109 G 9.27 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.32 4.67 0.00 2.76 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 0.00 111 R 8.47 4.27 0.00 1.50 1.71 0.00 2.27 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.00 112 V 8.60 4.52 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 0.72 0.00 0.00 1.02 0.00 0.00 113 A 7.35 4.56 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 0.00 114 Q 9.01 5.02 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 115 L 9.12 5.20 0.00 1.71 1.55 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.65 4.60 1.79 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 1.19 0.73 0.89 0.00 0.00 117 L 8.43 4.63 0.00 1.52 1.59 0.98 0.80 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 0.00 118 E 8.17 4.00 0.00 1.16 1.72 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 1.96 2.05 0.00 119 K 8.65 4.77 0.00 1.65 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 120 I 8.48 4.76 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 1.20 0.00 0.00 121 V 8.42 4.05 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 0.90 0.00 0.00 0.95 0.00 0.00 122 D 8.74 4.89 0.00 2.83 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 0.00 123 D 7.81 4.94 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 0.00 124 A 7.96 4.25 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 0.00 125 Q 8.33 4.44 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 126 I 8.20 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 0.91 0.00 0.00 127 V 8.08 4.28 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.35 4.06 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 0.86 0.00 0.00 0.93 0.00 0.00 129 V 7.87 4.62 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 0.81 0.00 0.00 0.93 0.00 0.00 130 D 8.79 4.52 0.00 2.66 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 0.00 131 S 7.50 4.74 0.00 3.90 3.77 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 0.00 132 L 8.40 4.20 0.00 1.64 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.