NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4328 8.1476 120.3474 55.4661 34.3261 177.1274 2 S 4.1518 7.8529 113.4294 59.5892 63.2898 174.6350 3 Q 3.9249 8.7722 124.7033 59.0340 29.2311 178.9889 4 S 4.0910 8.0209 115.7273 61.8743 62.9049 176.3276 5 N 4.2787 8.0280 118.7779 56.2013 38.2540 177.3852 6 R 3.8500 8.2733 120.3773 59.5862 30.1571 178.2897 7 E 3.8901 8.3362 118.4294 59.2933 29.3579 179.1665 8 L 3.8884 8.0991 120.3854 58.0670 42.1072 179.0408 9 V 3.5403 7.8539 118.2536 66.1400 31.4681 178.1144 10 V 2.7412 7.6434 117.7554 65.6647 31.2579 177.4295 11 D 4.1435 8.0268 117.7822 57.2547 41.0189 178.0332 12 F 4.0241 8.3941 121.2860 61.3014 39.4221 177.1647 13 L 4.1367 8.2998 118.8795 57.8309 41.4495 179.4499 14 S 4.3051 8.3423 115.5870 61.8220 62.7993 176.1365 15 Y 4.1765 7.8576 121.8755 60.8625 38.2038 178.2820 16 K 3.7804 7.9724 119.3752 59.3214 32.0441 179.3499 17 L 4.0440 8.1776 119.4815 57.9282 41.6292 179.7162 18 S 4.8654 8.0798 115.4297 61.1667 62.5858 176.5405 19 Q 3.9388 7.6875 120.5055 57.6417 28.3441 177.6374 20 K 4.2778 7.0017 117.4131 55.4447 32.3103 176.8585 21 G 3.6641 7.5832 106.6859 46.1782 0.0000 173.2089 22 Y 5.0620 7.7052 117.6901 55.9334 40.5325 174.7724 23 S 5.0052 8.2516 114.0746 56.3439 66.0030 174.0648 24 W 4.2262 9.1450 133.7181 60.4323 30.9080 175.2906 25 S 4.5363 7.5925 110.3503 57.4480 65.1672 175.4827 26 Q 3.8828 8.5771 118.8887 59.1939 28.8512 178.4179 *83 M 4.3356 8.0542 116.0838 55.4791 34.1864 176.9164 84 A 4.0332 8.1987 120.1104 55.2547 18.4620 179.4913 85 A 4.0081 8.1199 119.2256 55.1511 18.3691 180.0613 86 V 3.6132 8.0944 116.9130 66.0627 31.5953 178.0482 87 K 3.6822 8.1839 118.6460 59.7953 31.9715 178.9724 88 Q 3.9364 8.2224 119.0799 59.1499 28.9582 177.9912 89 A 4.0824 8.1892 121.8750 55.0636 18.3330 179.4378 90 L 3.9517 8.4234 119.2986 58.2197 42.1495 179.2090 91 R 3.9000 8.0775 118.1446 59.5937 30.0674 178.9800 92 E 4.0373 8.4316 117.9343 59.1205 29.4325 179.2218 93 A 4.2077 8.4672 121.2384 55.1475 18.4839 179.8341 94 G 3.6577 8.3896 104.3865 48.1112 0.0000 175.3649 95 D 4.3936 8.1757 121.6269 57.2763 40.9224 178.8306 96 E 3.9951 8.4441 119.6052 58.9714 29.5674 178.3039 97 F 4.2742 8.8185 121.2122 61.7293 39.1790 176.9916 98 E 3.3427 8.3974 117.9456 58.8790 28.8496 179.4176 99 L 3.9405 7.4864 119.3727 58.3099 42.4136 178.9224 100 R 3.9045 8.3177 116.8182 58.0375 30.4489 176.8655 101 Y 4.5127 8.2786 117.4848 57.0438 38.7511 178.1393 102 R 4.2239 7.7734 120.2291 58.7669 29.6973 177.8943 103 R 3.9179 7.9010 118.2903 59.1436 30.3690 178.5608 104 A 4.0292 7.9873 120.1189 55.0352 18.4448 179.3120 105 F 4.2079 8.6919 119.8614 61.3730 39.4702 177.4987 106 S 4.0431 8.8906 114.7872 61.6139 62.5443 176.0193 107 D 4.3211 7.9325 121.5965 56.9204 41.0085 178.2901 108 L 4.0516 7.7202 120.2868 58.5766 41.8842 179.1080 109 T 3.8855 7.5639 113.8684 65.6670 68.4107 175.9768 110 S 4.3752 7.5565 113.4648 59.3931 62.6126 174.2305 111 Q 4.4140 7.3644 118.3808 55.7270 28.7068 175.0975 112 L 4.3480 7.5766 119.2611 53.9706 41.9578 176.2750 113 H 4.6736 8.6529 121.1174 54.1354 30.7573 172.6694 114 I 4.6779 8.1872 117.3397 58.9834 40.3583 174.9837 115 T 4.7922 7.9378 109.8013 59.0302 71.7505 173.0835 116 P 4.4358 0.0000 0.0000 65.4280 31.3913 177.9568 117 G 3.8570 7.6829 105.4886 46.7176 0.0000 174.3611 118 T 3.9780 8.1617 111.0941 61.7246 69.3019 173.6318 119 A 4.8190 8.1395 126.1627 50.5283 21.4707 177.3149 120 Y 2.5985 8.2242 120.0054 60.1688 38.6542 178.7595 121 Q 3.7278 7.8285 118.8889 58.6344 28.8565 178.3077 122 S 3.9454 7.5236 114.1008 61.2487 62.4575 175.8170 123 F 4.0245 7.6449 122.7989 61.4465 39.0594 176.5634 124 E 3.8302 7.8693 118.8547 59.0321 29.0538 178.6010 125 Q 3.8515 7.6549 119.1968 58.9089 29.2917 178.0406 126 V 3.5450 7.6329 119.2092 66.1579 31.7497 178.4660 127 V 3.3730 7.4288 111.6132 63.6325 31.0673 178.1277 128 N 4.4668 7.7929 116.1151 56.2879 38.6019 176.4775 129 E 3.9700 7.7447 120.4096 59.2172 29.5328 178.3771 130 L 3.6785 7.5376 118.4346 57.6290 41.9532 177.9459 131 F 4.9111 7.4798 115.1793 57.1929 39.0410 177.5432 132 R 3.9138 7.5601 120.3045 59.8304 29.9980 177.3236 133 D 4.4618 7.8948 114.5207 54.9418 41.2178 175.8527 134 G 4.3556 6.3477 106.1081 43.3000 0.0000 172.5049 135 V 4.2145 7.4473 120.1057 60.8813 33.2524 174.7521 136 N 4.5621 7.7106 122.4686 49.7606 41.7432 175.3953 137 W 4.5820 8.8029 120.3626 60.1554 29.1066 178.7142 138 G 3.7336 8.3431 104.9037 48.2324 0.0000 175.6851 139 R 3.7682 8.6824 120.7080 58.4222 30.0099 179.0910 140 I 4.0676 7.8744 119.9560 64.5569 37.0978 178.4155 141 V 3.7191 8.3813 119.1443 66.1230 31.2910 177.7549 142 A 3.1401 7.6759 120.3638 54.8111 17.9885 179.3279 143 F 4.1768 8.6694 119.4520 61.4991 39.4978 177.3154 144 F 3.7850 8.6108 117.2905 60.7928 38.7481 177.6836 145 S 4.2733 8.5408 115.0333 61.6583 62.5862 176.6551 146 F 4.5846 8.8878 123.7369 61.4702 39.2243 177.2322 147 G 3.5819 8.1910 105.5601 47.8230 0.0000 175.8001 148 G 3.6121 8.3305 107.8521 47.4878 0.0000 175.7099 149 A 4.0570 8.3626 123.5312 54.7523 18.3025 179.5774 150 L 3.7987 7.8399 117.5530 58.1694 41.5934 179.6631 151 C 4.0183 8.0132 116.4066 62.7779 28.0051 176.2706 152 V 3.5384 7.9507 120.0320 65.9288 31.0788 177.6364 153 E 3.8678 8.3977 119.2103 59.3057 29.5071 178.7485 154 S 4.0713 8.2927 115.5867 61.7546 62.9630 177.0562 155 V 3.5252 7.9620 120.7284 66.1210 31.0811 177.4007 156 D 4.4850 7.9663 117.6867 57.2895 40.7097 178.4825 157 K 4.3943 7.6879 115.7429 54.9964 32.9660 176.4329 158 E 3.8068 8.3860 117.3684 58.3790 27.5921 176.3312 159 M 4.5937 8.1067 118.2767 53.2929 32.4560 176.8291 160 Q 4.0304 8.1332 123.8729 58.7837 29.4018 177.4868 161 V 3.6287 7.7147 119.7416 64.6020 31.3994 178.2022 162 L 3.7754 7.5202 118.3621 57.2041 41.4198 179.4017 163 V 3.3929 7.4634 118.3441 66.1045 31.5663 178.3179 164 S 4.0577 7.7994 113.2007 61.0679 63.0080 176.3706 165 R 3.5051 7.3098 121.5848 58.9477 29.6751 178.8926 166 I 2.4964 7.2267 119.4748 63.8114 36.9440 177.9967 167 A 3.8316 7.3866 120.7914 55.4253 18.0765 179.6175 168 A 3.9022 7.6212 118.5749 55.0350 18.3279 179.8576 169 W 4.3520 7.8992 117.5486 60.2464 28.9988 178.7087 170 M 4.5390 8.3387 118.5511 58.4264 31.3770 178.7051 171 A 4.1308 8.3875 121.1676 55.4325 18.5069 179.6322 172 T 3.8113 8.3174 114.6492 67.1673 68.4951 176.1116 173 Y 4.1928 8.8478 121.6290 60.6770 38.7658 178.1229 174 L 4.0291 8.7163 120.2759 58.0825 41.6317 179.3026 175 N 4.3832 8.4176 115.2931 56.3403 38.5301 176.9537 176 D 4.3876 8.1701 119.4248 56.8109 41.2128 177.6565 177 H 4.5598 8.0150 114.0249 55.6111 30.6090 175.7079 178 L 4.2414 7.4233 119.5108 55.6902 42.9789 177.8183 179 E 3.9718 8.3067 119.6032 58.9676 29.3650 177.1841 180 P 4.1609 0.0000 0.0000 65.3905 31.5297 178.0732 181 W 3.9907 8.1824 126.5025 60.6037 30.4214 177.7673 182 I 3.5031 8.0374 119.4837 64.4612 36.4704 178.1173 183 Q 3.9465 8.4416 120.6407 59.3430 28.6894 178.0638 184 E 4.0361 8.2251 117.8944 57.8626 29.4729 177.7998 185 N 4.5757 7.2779 115.7078 52.6423 39.2942 175.3866 186 G 4.3847 7.0243 107.7051 45.6643 0.0000 175.0634 187 G 4.1875 8.4844 107.8956 44.7947 0.0000 175.0824 188 W 4.2635 8.7656 118.2403 59.6917 28.8995 178.4971 189 D 4.4760 8.4055 118.7273 57.8604 40.2801 178.7740 190 T 3.9327 8.2347 116.3160 66.2065 68.3507 176.5495 191 F 3.1396 7.7441 122.2725 61.0193 39.2146 177.1762 192 V 3.4683 8.0655 117.7590 65.8930 31.0904 177.5482 193 E 3.8451 7.6694 116.9606 59.5023 29.4345 179.2216 194 L 3.6857 7.3455 116.9565 57.2651 41.7073 177.8880 195 Y 4.5931 6.9962 111.9684 57.0608 39.2479 176.1093 196 G 3.7278 7.8909 115.0317 45.8910 0.0000 173.6589 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 1 M 8.15 4.43 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 S 7.85 4.15 0.00 4.17 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 3 Q 8.77 3.92 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 4 S 8.02 4.09 0.00 4.03 3.88 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 5 N 8.03 4.28 0.00 2.75 2.84 0.00 0.00 6.74 7.58 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 6 R 8.27 3.85 0.00 1.90 2.15 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 7 E 8.34 3.89 0.00 2.25 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 2.30 2.42 0.00 8 L 8.10 3.89 0.00 1.92 1.77 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.85 3.54 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 0.93 0.00 0.00 10 V 7.64 2.74 1.91 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 -0.13 0.00 0.00 0.73 0.00 0.00 11 D 8.03 4.14 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.02 0.00 3.20 3.03 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 13 L 8.30 4.14 0.00 1.63 1.94 1.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.34 4.31 0.00 3.88 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 15 Y 7.86 4.18 0.00 2.93 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 16 K 7.97 3.78 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.61 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.98 1.64 7.81 17 L 8.18 4.04 0.00 2.01 1.92 1.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.08 4.87 0.00 4.07 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 0.00 19 Q 7.69 3.94 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.14 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 20 K 7.00 4.28 0.00 1.42 1.42 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.54 7.81 21 G 7.58 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 0.00 0.00 0.00 22 Y 7.71 5.06 0.00 3.08 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 23 S 8.25 5.01 0.00 4.00 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 24 W 9.15 4.23 0.00 3.46 3.20 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 25 S 7.59 4.54 0.00 4.07 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 26 Q 8.58 3.88 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 *83 M 8.05 4.34 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 84 A 8.20 4.03 1.53 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 0.00 0.00 85 A 8.12 4.01 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 86 V 8.09 3.61 2.15 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 0.74 0.00 0.00 1.13 0.00 0.00 87 K 8.18 3.68 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.52 7.81 88 Q 8.22 3.94 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 89 A 8.19 4.08 1.53 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 0.00 0.00 90 L 8.42 3.95 0.00 1.34 1.57 0.43 -0.53 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 91 R 8.08 3.90 0.00 2.07 1.99 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 92 E 8.43 4.04 0.00 2.07 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 2.36 2.48 0.00 93 A 8.47 4.21 1.65 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 94 G 8.39 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 0.00 0.00 0.00 95 D 8.18 4.39 0.00 2.92 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 96 E 8.44 4.00 0.00 2.21 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 0.00 2.37 2.35 0.00 97 F 8.82 4.27 0.00 3.12 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 98 E 8.40 3.34 0.00 1.90 1.59 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 1.47 2.05 0.00 99 L 7.49 3.94 0.00 1.64 1.89 0.90 0.78 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 0.00 100 R 8.32 3.90 0.00 1.86 1.56 0.00 3.29 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 101 Y 8.28 4.51 0.00 2.25 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 0.00 102 R 7.77 4.22 0.00 2.12 2.38 0.00 3.13 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 103 R 7.90 3.92 0.00 1.88 2.02 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 104 A 7.99 4.03 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 0.00 105 F 8.69 4.21 0.00 3.11 3.21 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 0.00 106 S 8.89 4.04 0.00 4.06 4.39 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 0.00 107 D 7.93 4.32 0.00 2.67 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 0.00 108 L 7.72 4.05 0.00 1.88 1.68 0.88 0.83 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 0.00 109 T 7.56 3.89 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 1.11 0.00 0.00 110 S 7.56 4.38 0.00 3.82 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 0.00 111 Q 7.36 4.41 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 112 L 7.58 4.35 0.00 1.56 1.59 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.65 4.67 0.00 3.10 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.19 4.68 1.96 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 1.49 0.67 1.01 0.00 0.00 115 T 7.94 4.79 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 0.00 116 P 0.00 4.44 0.00 2.08 2.18 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 117 G 7.68 3.86 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 0.00 0.00 0.00 118 T 8.16 3.98 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 1.39 0.00 0.00 119 A 8.14 4.82 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 0.00 120 Y 8.22 2.60 0.00 2.47 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 0.00 121 Q 7.83 3.73 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 122 S 7.52 3.95 0.00 3.80 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 0.00 123 F 7.64 4.02 0.00 2.78 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 0.00 0.00 0.00 0.00 124 E 7.87 3.83 0.00 1.32 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 125 Q 7.65 3.85 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 126 V 7.63 3.54 1.99 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 0.64 0.00 0.00 0.96 0.00 0.00 127 V 7.43 3.37 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 0.17 0.00 0.00 0.05 0.00 0.00 128 N 7.79 4.47 0.00 2.91 2.90 0.00 0.00 6.93 7.83 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 0.00 129 E 7.74 3.97 0.00 1.89 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 2.16 2.22 0.00 130 L 7.54 3.68 0.00 1.21 1.42 0.54 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.48 4.91 0.00 3.10 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 0.00 132 R 7.56 3.91 0.00 1.94 1.94 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 133 D 7.89 4.46 0.00 2.69 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 0.00 134 G 6.35 4.36 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 0.00 135 V 7.45 4.21 0.76 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 -0.80 0.00 0.00 0.41 0.00 0.00 136 N 7.71 4.56 0.00 3.04 2.84 0.00 0.00 6.23 8.88 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 0.00 137 W 8.80 4.58 0.00 3.63 3.60 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 0.00 138 G 8.34 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 0.00 0.00 0.00 139 R 8.68 3.77 0.00 1.74 1.36 0.00 3.03 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 140 I 7.87 4.07 2.26 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 1.48 0.00 0.00 141 V 8.38 3.72 2.14 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 1.05 0.00 0.00 1.15 0.00 0.00 142 A 7.68 3.14 0.97 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 0.00 0.00 143 F 8.67 4.18 0.00 3.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 3.78 0.00 3.35 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 0.00 145 S 8.54 4.27 0.00 4.07 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 0.00 146 F 8.89 4.58 0.00 3.13 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 0.00 147 G 8.19 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 0.00 0.00 0.00 148 G 8.33 3.61 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 0.00 0.00 0.00 149 A 8.36 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.84 3.80 0.00 1.77 1.57 0.76 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.01 4.02 0.00 3.09 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 0.00 152 V 7.95 3.54 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 153 E 8.40 3.87 0.00 2.06 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 2.27 2.36 0.00 154 S 8.29 4.07 0.00 3.95 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 0.00 155 V 7.96 3.53 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 0.88 0.00 0.00 0.97 0.00 0.00 156 D 7.97 4.49 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.69 4.39 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 158 E 8.39 3.81 0.00 2.01 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 2.24 2.25 0.00 159 M 8.11 4.59 0.00 1.96 1.93 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 2.68 2.42 0.00 160 Q 8.13 4.03 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 161 V 7.71 3.63 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 0.81 0.00 0.00 0.88 0.00 0.00 162 L 7.52 3.78 0.00 1.84 1.60 0.95 0.60 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 0.00 163 V 7.46 3.39 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 0.95 0.00 0.00 0.84 0.00 0.00 164 S 7.80 4.06 0.00 3.97 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 0.00 165 R 7.31 3.51 0.00 1.42 1.32 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 166 I 7.23 2.50 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.08 0.64 0.00 0.00 167 A 7.39 3.83 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 0.00 168 A 7.62 3.90 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 0.00 169 W 7.90 4.35 0.00 3.05 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 0.00 170 M 8.34 4.54 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.21 0.00 171 A 8.39 4.13 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 0.00 172 T 8.32 3.81 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 0.98 0.00 0.00 173 Y 8.85 4.19 0.00 3.74 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.72 4.03 0.00 2.13 1.91 1.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.42 4.38 0.00 2.76 2.90 0.00 0.00 7.17 7.61 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 0.00 176 D 8.17 4.39 0.00 2.53 2.30 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 0.00 177 H 8.01 4.56 0.00 2.11 2.75 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.42 4.24 0.00 1.72 1.51 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.31 3.97 0.00 2.23 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 0.00 2.36 2.45 0.00 180 P 0.00 4.16 0.00 2.18 2.06 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 181 W 8.18 3.99 0.00 3.22 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 0.00 182 I 8.04 3.50 2.00 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 1.06 0.51 0.78 0.00 0.00 183 Q 8.44 3.95 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 184 E 8.23 4.04 0.00 1.66 1.77 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 2.25 2.44 0.00 185 N 7.28 4.58 0.00 1.44 1.99 0.00 0.00 7.25 7.15 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 0.00 186 G 7.02 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 0.00 0.00 0.00 0.00 187 G 8.48 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 0.00 0.00 0.00 0.00 188 W 8.77 4.26 0.00 3.55 3.33 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 0.00 189 D 8.41 4.48 0.00 2.77 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 0.00 190 T 8.23 3.93 4.54 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 0.00 0.00 0.00 1.29 0.00 0.00 191 F 7.74 3.14 0.00 1.51 3.08 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 0.00 192 V 8.07 3.47 2.28 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 0.98 0.00 0.00 1.16 0.00 0.00 193 E 7.67 3.85 0.00 2.07 1.91 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 2.31 2.50 0.00 194 L 7.35 3.69 0.00 0.77 0.13 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.00 4.59 0.00 2.03 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 0.00 196 G 7.89 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.