NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 I 4.0867 8.0131 120.7838 60.7598 39.1502 174.5244 16 G 4.0812 8.5250 115.6138 43.2856 0.0000 170.5159 17 S 4.9553 8.1496 116.3706 56.3167 67.2898 171.5419 18 W 6.3000 7.7769 118.1054 55.3606 31.3527 174.0738 19 V 4.4998 8.6974 120.2423 61.3018 34.6781 173.3488 20 L 5.1125 8.9760 129.7761 54.1954 43.4130 175.6516 21 H 4.3243 8.8628 125.1374 55.1119 31.2013 174.6522 *23 E 4.2634 8.8354 117.9371 56.2509 31.5899 177.3867 24 S 4.0017 7.7691 112.7276 59.6441 63.0000 177.3396 25 G 4.0592 8.5333 108.1134 45.7846 0.0000 173.8542 26 R 3.9091 7.7138 121.1993 56.7761 30.7812 175.6157 27 L 4.9157 8.5934 129.1465 54.4087 43.7195 175.3309 28 E 4.8860 9.3499 124.6941 54.3740 33.0069 174.1788 29 W 5.7076 8.8937 125.6233 54.7502 32.7877 175.2962 30 S 4.3699 9.3629 119.2437 58.3142 62.8373 175.1845 31 Q 4.1915 8.9512 123.0191 58.8991 28.4892 178.5585 32 A 3.9798 8.1895 121.5331 55.3471 18.1442 179.6203 33 V 3.3463 7.6039 116.1831 66.5011 31.6122 177.6589 34 H 4.2844 8.3665 115.3507 59.4690 28.3532 177.1734 35 D 4.5192 8.2543 119.2929 57.3321 40.6645 178.8084 36 I 3.7861 7.5582 119.3828 64.5505 37.3290 178.2964 37 F 4.1837 8.6160 116.6332 57.9899 39.2683 175.6113 38 G 3.8102 9.0372 106.5451 46.9936 0.0000 172.4300 39 T 4.8649 7.7226 114.9039 61.6681 72.8187 173.0619 40 D 4.8340 8.2800 119.7238 52.6549 44.7401 176.7789 41 S 4.0899 8.8027 117.3077 61.5647 63.1145 175.8552 42 A 4.1024 8.0125 122.5488 55.2266 18.4171 178.4583 43 T 4.0185 7.8791 108.8830 64.7491 67.7564 174.8166 44 F 4.4186 8.4354 123.5421 57.6794 39.8868 174.8374 45 D 3.9343 7.4456 126.4326 55.0923 41.7275 175.5802 46 A 3.2193 5.8000 121.0886 53.4107 15.9686 174.8814 47 T 4.7680 6.5173 113.2865 59.8795 72.2668 172.9281 48 E 4.0253 8.4954 122.5533 59.3106 29.6918 177.9467 49 D 4.5189 8.2900 118.3165 57.7504 40.7313 178.5677 50 A 3.9573 7.9867 118.9084 55.5179 18.4187 178.5549 51 Y 4.3743 7.8707 117.8895 60.7969 38.8919 177.8170 52 F 3.8663 8.4467 118.9095 60.2827 38.7784 177.4733 53 Q 4.1181 8.2279 117.1157 58.6580 28.5619 178.4630 54 R 4.4060 7.5997 116.8069 55.8576 31.1125 177.1056 55 V 3.6662 6.7094 118.6332 62.2812 32.3732 175.0422 56 H 4.2352 8.6252 125.2450 55.4042 29.6507 174.1316 57 P 4.2658 0.0000 0.0000 66.2103 31.2461 177.3875 58 D 4.4908 8.3288 113.7785 55.0868 41.0490 176.2652 59 D 4.8333 8.5148 119.9982 55.0213 43.5479 178.1032 60 R 4.1097 7.6041 118.2804 59.9346 30.1496 178.6215 61 A 3.9772 8.0212 119.5240 55.1220 18.4935 179.3508 62 R 4.0213 7.9743 116.7406 59.0431 30.2198 178.6786 63 V 3.7089 8.2760 118.7132 66.0034 31.5747 178.0295 64 R 4.1067 8.4090 117.9771 59.5955 29.8686 179.3306 65 R 3.9793 7.8949 117.1259 59.3075 30.2522 178.8257 66 E 4.0990 8.8083 118.7839 59.3788 29.3473 179.5152 67 L 4.1872 8.4204 119.2967 58.1116 41.7736 179.3710 68 D 4.4223 8.1754 118.8120 57.3276 40.8148 178.7841 69 R 3.9944 8.6994 119.3389 58.7924 29.7615 177.5513 70 H 4.6057 7.5840 113.5229 57.1841 30.1835 176.7579 71 V 3.9798 8.2143 120.0712 63.3639 31.6749 176.8688 72 L 4.7344 8.0324 116.7541 54.2777 43.9592 177.3481 73 G 4.1082 7.9832 106.3763 44.4258 0.0000 172.3848 74 D 4.5570 8.7315 120.7875 54.2809 40.9848 175.5040 75 R 4.6967 8.1941 127.0327 53.1271 29.6605 174.2136 76 P 4.6950 0.0000 0.0000 63.0985 32.5105 175.0467 77 F 4.7697 8.3184 113.2925 56.4284 41.2826 172.5125 78 D 5.2339 8.8679 120.6011 53.0035 42.7110 175.9469 79 V 4.5209 8.6943 122.1196 61.1426 34.8926 173.8260 80 E 4.9940 8.9088 127.1212 54.8297 31.1651 174.7278 81 Y 5.0033 7.8120 122.0038 55.5829 42.1775 174.1771 82 R 5.0419 8.7366 118.8080 55.3901 31.8031 175.9978 83 I 4.8390 9.3854 123.9867 59.4171 41.0273 174.8434 84 V 5.0599 8.3169 123.9437 60.0199 33.4184 175.4760 85 R 4.4181 8.9791 122.7257 54.1695 31.5318 175.6889 86 P 4.2212 0.0000 0.0000 65.9263 31.2689 177.7612 87 D 4.3575 8.1331 115.5772 55.2925 38.8928 177.6754 88 G 4.0310 8.5840 106.9695 44.7841 0.0000 173.5287 89 Q 4.2735 8.8068 120.1815 55.6052 30.0371 175.3521 90 V 4.6529 8.2862 122.8722 62.1406 33.0910 175.2409 91 R 4.6975 9.5217 126.5292 54.3701 34.0122 174.2536 92 E 4.6026 8.6019 124.1322 55.9989 29.9682 176.1676 93 L 4.8335 9.0218 125.2578 52.7745 45.1052 175.3967 94 L 4.5360 8.8022 123.8964 53.2622 44.6690 174.5439 95 E 4.9117 8.8704 127.8416 54.2840 32.4156 174.2175 96 R 4.8050 8.9033 127.4613 54.6746 32.3945 174.1362 97 N 4.7607 8.7137 124.4890 51.4936 41.2207 173.2844 98 H 4.9125 8.4511 120.7557 52.9227 31.4629 173.2206 99 I 4.5866 8.3223 123.7992 60.4677 39.2803 174.5078 100 Q 4.7511 9.0280 126.5022 54.5776 31.8299 174.1107 101 R 5.2014 8.6933 124.6103 54.3025 33.4789 175.9525 102 Q 4.2108 9.0736 120.8264 55.3367 29.6718 177.2127 103 A 4.0417 8.8508 123.9647 55.6576 18.2372 179.5823 104 S 4.1241 8.0965 108.3404 60.2730 62.7850 175.4600 105 G 3.9926 8.9153 110.0184 44.9034 0.0000 173.7437 106 Q 3.9809 7.7902 121.4660 56.3185 29.4351 175.9391 107 V 4.1612 8.3139 124.9311 61.6654 32.6078 174.8353 108 D 4.7171 9.4904 124.6090 56.2559 42.4541 176.0369 109 H 4.9880 7.9895 112.7285 54.6960 33.3538 172.5379 110 L 5.4801 8.6396 120.8158 53.0755 44.5612 175.5878 111 W 5.1958 8.3543 118.2350 55.1839 32.1127 174.7256 112 G 4.0931 7.9774 105.1328 46.0520 0.0000 171.1406 113 T 4.9412 7.5765 109.0164 59.8720 72.6620 173.1776 114 V 4.8962 8.0889 119.8923 60.2813 34.6287 174.4509 115 I 4.6289 8.8809 123.5802 59.6280 41.0487 174.8006 116 D 4.6323 8.5802 125.6122 53.2300 42.6858 176.1917 *118 T 4.2241 7.7588 115.9239 62.4094 68.1759 174.1607 119 E 4.1927 7.6645 124.9437 56.6716 29.5566 174.3313 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 15 I 8.01 4.09 1.86 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 1.34 1.33 0.89 0.00 0.00 16 G 8.52 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.15 4.96 0.00 3.74 3.66 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 18 W 7.78 6.30 0.00 3.49 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 19 V 8.70 4.50 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 0.78 0.00 0.00 0.88 0.00 0.00 20 L 8.98 5.11 0.00 1.84 1.74 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.86 4.32 0.00 3.15 3.29 0.00 5.70 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 *23 E 8.84 4.26 0.00 1.98 1.96 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 2.20 2.32 0.00 24 S 7.77 4.00 0.00 3.88 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 25 G 8.53 4.06 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 0.00 0.00 0.00 26 R 7.71 3.91 0.00 1.89 1.82 0.00 3.05 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 27 L 8.59 4.92 0.00 1.59 1.37 1.11 0.78 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 28 E 9.35 4.89 0.00 2.26 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 2.33 2.37 0.00 29 W 8.89 5.71 0.00 3.08 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 30 S 9.36 4.37 0.00 3.94 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 31 Q 8.95 4.19 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 32 A 8.19 3.98 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 33 V 7.60 3.35 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 -0.77 0.00 0.00 0.81 0.00 0.00 34 H 8.37 4.28 0.00 3.49 3.66 0.00 5.68 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 35 D 8.25 4.52 0.00 2.83 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 36 I 7.56 3.79 2.02 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 1.46 0.66 0.60 0.00 0.00 37 F 8.62 4.18 0.00 3.01 3.19 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 38 G 9.04 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 39 T 7.72 4.86 4.31 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 1.36 0.00 0.00 40 D 8.28 4.83 0.00 2.69 2.49 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 41 S 8.80 4.09 0.00 4.00 4.05 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 0.00 0.00 0.00 0.00 42 A 8.01 4.10 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 43 T 7.88 4.02 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 1.36 0.00 0.00 44 F 8.44 4.42 0.00 2.95 2.94 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 45 D 7.45 3.93 0.00 2.11 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 0.00 0.00 0.00 46 A 5.80 3.22 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 47 T 6.52 4.77 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 1.09 0.00 0.00 48 E 8.50 4.03 0.00 2.15 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 0.00 2.80 2.70 0.00 49 D 8.29 4.52 0.00 2.80 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 50 A 7.99 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.87 4.37 0.00 3.14 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 52 F 8.45 3.87 0.00 3.33 3.05 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 0.00 0.00 0.00 0.00 53 Q 8.23 4.12 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 54 R 7.60 4.41 0.00 2.15 2.24 0.00 3.53 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 55 V 6.71 3.67 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 0.74 0.00 0.00 0.17 0.00 0.00 56 H 8.63 4.24 0.00 3.18 3.14 0.00 5.76 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 57 P 0.00 4.27 0.00 2.21 2.12 0.00 3.22 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 2.03 2.11 0.00 58 D 8.33 4.49 0.00 2.68 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 59 D 8.51 4.83 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.60 4.11 0.00 2.11 2.12 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 61 A 8.02 3.98 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 62 R 7.97 4.02 0.00 1.93 2.11 0.00 3.21 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 63 V 8.28 3.71 2.49 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 1.32 0.00 0.00 1.01 0.00 0.00 64 R 8.41 4.11 0.00 2.12 1.96 0.00 3.01 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.00 65 R 7.89 3.98 0.00 2.06 2.01 0.00 3.16 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 1.67 1.90 0.00 66 E 8.81 4.10 0.00 2.04 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 0.00 2.40 2.71 0.00 67 L 8.42 4.19 0.00 2.04 1.82 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.18 4.42 0.00 2.84 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 69 R 8.70 3.99 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 70 H 7.58 4.61 0.00 3.37 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.21 3.98 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 0.87 0.00 0.00 0.99 0.00 0.00 72 L 8.03 4.73 0.00 1.90 1.75 0.96 0.89 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 73 G 7.98 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 74 D 8.73 4.56 0.00 2.93 2.73 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 75 R 8.19 4.70 0.00 1.86 1.89 0.00 3.45 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 76 P 0.00 4.70 0.00 1.84 1.68 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 77 F 8.32 4.77 0.00 3.07 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 78 D 8.87 5.23 0.00 2.57 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 79 V 8.69 4.52 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 1.32 0.00 0.00 1.18 0.00 0.00 80 E 8.91 4.99 0.00 1.85 1.83 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 2.34 2.20 0.00 81 Y 7.81 5.00 0.00 2.92 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 82 R 8.74 5.04 0.00 1.78 1.94 0.00 3.17 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 83 I 9.39 4.84 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 0.96 0.00 0.00 84 V 8.32 5.06 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 0.77 0.00 0.00 0.94 0.00 0.00 85 R 8.98 4.42 0.00 1.97 2.11 0.00 2.82 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 86 P 0.00 4.22 0.00 2.06 2.19 0.00 3.72 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 2.04 2.12 0.00 87 D 8.13 4.36 0.00 2.78 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 88 G 8.58 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.81 4.27 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 90 V 8.29 4.65 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 0.87 0.00 0.00 0.94 0.00 0.00 91 R 9.52 4.70 0.00 1.64 1.76 0.00 3.70 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 92 E 8.60 4.60 0.00 1.78 1.87 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 2.33 2.29 0.00 93 L 9.02 4.83 0.00 1.35 1.01 0.90 0.36 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 94 L 8.80 4.54 0.00 1.57 1.39 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.87 4.91 0.00 1.83 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 2.10 2.33 0.00 96 R 8.90 4.81 0.00 1.72 1.58 0.00 3.16 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.40 0.00 97 N 8.71 4.76 0.00 1.44 1.51 0.00 0.00 6.38 7.17 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 98 H 8.45 4.91 0.00 1.40 2.38 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.32 4.59 1.96 0.00 0.00 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 1.39 1.58 1.00 0.00 0.00 100 Q 9.03 4.75 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 101 R 8.69 5.20 0.00 1.75 1.97 0.00 3.31 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 102 Q 9.07 4.21 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 103 A 8.85 4.04 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 0.00 104 S 8.10 4.12 0.00 4.01 4.06 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 0.00 105 G 8.92 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 0.00 0.00 0.00 106 Q 7.79 3.98 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 107 V 8.31 4.16 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 0.77 0.00 0.00 1.04 0.00 0.00 108 D 9.49 4.72 0.00 2.83 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 0.00 109 H 7.99 4.99 0.00 3.44 3.28 0.00 5.81 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 0.00 110 L 8.64 5.48 0.00 1.56 1.57 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.35 5.20 0.00 3.42 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 0.00 112 G 7.98 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 0.00 113 T 7.58 4.94 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 1.27 0.00 0.00 114 V 8.09 4.90 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 0.90 0.00 0.00 115 I 8.88 4.63 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.72 0.88 0.00 0.00 116 D 8.58 4.63 0.00 2.65 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 *118 T 7.76 4.22 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 1.21 0.00 0.00 119 E 7.66 4.19 0.00 1.85 1.73 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 2.19 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.