NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5627 8.2993 120.0954 56.1332 34.6568 175.5516 3 T 4.8147 7.9518 108.8949 58.9459 71.9745 172.2677 4 F 4.7554 10.2008 128.7858 56.7891 41.9441 175.3027 5 I 4.8573 7.9900 126.9094 59.7271 39.5103 174.4178 6 I 5.0323 9.3003 128.5341 59.4556 40.0629 174.8134 7 G 3.9743 9.0783 113.6580 44.3549 0.0000 172.3517 8 I 5.0865 8.7481 124.3992 59.8250 40.6536 174.2447 9 S 5.7043 9.5961 122.5242 55.2304 65.7705 172.0553 10 G 3.7193 8.6210 106.4651 42.3837 0.0000 173.1523 11 V 3.6024 7.7111 120.8603 61.3370 31.5977 175.5658 12 T 3.8613 8.3216 114.8703 63.7431 67.4919 173.1702 13 N 4.2998 8.7597 123.6542 54.4903 36.0313 175.4006 14 S 4.3101 7.6351 112.8953 58.8484 63.9336 174.7866 15 G 4.2277 8.2940 110.7934 45.7610 0.0000 175.8604 16 K 3.9658 8.4014 121.4158 59.4173 32.0254 179.1758 17 T 3.8751 7.8500 115.4305 67.0467 68.6066 176.5501 18 T 3.8350 7.8943 117.0620 66.5836 68.4797 176.2810 19 L 3.9659 8.0387 121.9339 57.9649 42.1773 178.6088 20 A 4.0343 8.1119 120.8025 55.4161 18.3818 179.8490 21 K 3.9555 8.2131 116.8140 59.4413 31.9369 179.4130 22 N 4.0043 7.9450 116.2871 56.1863 38.5966 177.2175 23 L 4.2991 7.9382 120.2344 58.1872 41.5953 179.2916 24 Q 4.0430 7.9421 117.7588 59.3742 28.9529 178.4504 25 K 4.0652 7.7783 118.1232 59.1037 32.1068 178.1465 26 H 4.8651 7.5749 113.0141 54.3430 29.3753 174.1298 27 L 4.9262 7.3858 121.3949 52.2008 43.5455 174.4873 28 P 4.4755 0.0000 0.0000 63.3084 32.9355 175.4365 29 N 4.1873 8.7578 118.1836 55.4072 37.1597 172.6376 30 C 5.5314 8.0014 116.2967 57.8644 34.6205 173.4728 31 S 5.0435 9.9123 121.8777 56.7498 66.6774 173.0449 32 V 4.9040 8.2449 120.1751 61.3195 34.6127 174.5260 33 I 4.6643 8.7992 127.8383 59.6760 40.6378 174.3725 34 S 5.4402 8.6244 122.7167 56.0353 64.1216 175.3042 35 Q 4.0914 9.3591 126.6391 58.8073 29.0083 177.5389 36 D 4.7905 8.1560 115.7096 56.2329 41.2332 176.6002 37 D 4.6015 8.1631 117.8063 55.3179 41.1035 176.7321 38 F 4.7656 7.9177 117.9425 57.0539 39.4097 174.9652 39 F 4.8747 8.2985 119.5507 57.2103 39.3393 175.7564 40 K 4.4720 9.0596 123.0926 55.5833 32.8795 175.1138 41 P 4.4762 0.0000 0.0000 62.6548 32.4359 176.7839 42 E 3.9687 9.1843 121.8227 59.6307 29.4467 179.1310 43 S 4.3375 8.0942 110.5836 60.0736 63.1257 174.1953 44 E 4.4712 8.0892 119.7481 56.4977 30.3142 176.0682 45 I 4.0224 7.3565 120.4579 60.9181 37.5486 175.3306 46 E 4.8375 8.6609 125.0275 54.9127 32.4425 174.6585 47 T 4.9876 8.2217 112.4418 59.7660 71.1890 173.9545 48 D 4.7049 8.8427 125.7404 52.2714 40.6337 176.9225 49 K 3.8557 8.6844 118.0165 59.7965 31.8718 177.5590 50 N 4.5256 8.3348 113.6877 52.5532 38.8177 175.3148 51 G 3.7023 8.1822 104.8527 47.0785 0.0000 175.5107 52 F 5.3419 7.7718 116.6003 55.1555 41.3470 175.7025 53 L 4.5160 8.9373 126.2902 55.4896 41.9723 178.6776 54 Q 4.3648 9.5572 124.8825 55.2779 26.9730 174.8667 55 Y 4.6535 8.3867 118.5653 58.9327 39.5201 176.2122 56 D 5.4447 8.4015 119.7567 54.0335 41.4268 176.5058 57 V 4.6176 7.5671 110.5719 59.3594 36.1429 176.9813 58 L 3.8833 8.5868 122.2295 57.9306 41.6115 179.3750 59 E 4.0722 8.2181 116.1610 58.3286 29.6594 177.0955 60 A 4.6100 8.3326 121.6740 51.7399 19.1186 176.3896 61 L 5.1788 7.4943 115.9531 53.3478 45.1871 176.2358 62 N 4.6583 9.4074 120.7243 52.6139 39.5453 176.2030 *64 E 4.3662 8.5006 118.2186 56.3078 31.8946 177.1221 65 K 4.3086 7.3722 119.7366 55.9069 30.2291 177.1644 *68 S 4.3164 7.8145 115.4199 58.0813 64.8766 175.4859 69 A 4.1838 7.7224 121.8322 54.9390 17.7948 179.7263 70 I 3.8009 7.5733 117.4149 64.6209 37.3938 178.2530 71 S 4.3193 8.0073 114.6338 61.6084 62.9863 176.1171 72 C 4.4575 8.1869 119.5097 62.5347 27.8753 176.3805 73 W 4.0768 8.0190 126.1330 58.6064 30.2740 176.9434 *75 E 4.1603 8.1598 117.6876 55.8162 30.8212 177.6881 76 S 4.2628 7.9243 112.4121 59.8582 63.7511 175.3109 77 A 3.6474 7.6363 124.9385 54.9812 18.0604 179.7574 78 R 4.1387 7.0202 109.7312 57.2571 29.3442 176.7851 79 H 4.7953 7.8764 115.5035 54.9228 29.8890 173.4822 *92 I 3.9856 7.7712 118.5794 60.1086 39.1115 173.3585 93 P 4.8357 0.0000 0.0000 62.9855 32.4334 175.2043 94 I 5.3438 9.5069 125.2524 59.4398 40.7746 174.1239 95 L 4.8983 8.7216 128.4424 53.1016 44.6275 174.8078 96 I 4.8141 8.8361 127.7333 59.8621 39.4554 174.6604 97 I 4.8483 9.2271 129.3465 59.7133 38.5975 174.3660 98 E 5.0904 8.6094 126.2439 54.5656 32.2556 175.4460 99 G 4.1644 8.1663 106.5520 45.9207 0.0000 174.2564 100 F 4.8068 9.4698 116.2664 57.3171 38.5796 176.1708 101 L 3.3377 7.4900 123.1815 53.0061 42.5804 173.8972 102 L 4.6104 8.7365 121.6622 55.9871 43.9370 178.6467 103 F 5.3651 8.1505 112.9574 58.4313 38.6707 175.3396 104 N 5.0316 8.5976 116.4555 52.5687 37.9969 173.4921 105 Y 4.5996 8.1776 121.6513 56.0824 39.1693 175.8801 106 K 4.1904 8.4707 129.6380 58.6022 31.9132 177.1941 107 P 4.1242 0.0000 0.0000 65.2748 31.4020 177.9122 108 L 3.7634 7.8105 116.6812 56.2001 41.1469 178.4778 109 D 3.6580 7.5802 119.5596 57.3264 40.4990 178.4775 110 T 4.2141 7.1975 106.5872 61.9531 69.5214 175.1365 111 I 4.1607 6.9862 123.1746 62.0267 39.6719 176.6936 112 W 4.5073 7.3159 119.6103 57.3316 29.2319 175.2345 113 N 4.6082 8.8742 120.1686 54.2119 39.7881 175.4836 114 R 4.5688 7.5130 117.3313 54.9901 34.0540 173.9199 115 S 4.8401 8.1851 120.5341 56.8453 66.7225 172.4749 116 Y 5.1815 9.1861 121.5320 56.1743 42.1077 174.7702 117 F 5.1189 8.9360 124.0370 56.4751 42.3572 173.6497 118 L 4.7740 8.4719 127.2427 54.9576 42.3972 176.9576 119 T 4.9362 9.0668 119.4361 61.8878 71.8847 172.9442 120 I 5.0203 8.3492 124.5222 58.5223 41.6190 173.1175 121 P 4.6260 0.0000 0.0000 62.3608 32.3817 176.6695 122 Y 3.0725 8.9384 121.7572 61.0736 38.4543 178.8964 123 E 3.5911 8.0359 118.5506 59.1249 29.5928 178.8325 124 E 3.8652 7.9307 119.0512 59.0246 29.7871 178.2240 125 C 4.0379 8.0345 118.8530 62.3874 31.5100 175.4226 126 K 2.4800 7.0208 119.6611 58.7808 31.7408 178.4676 127 R 3.8100 7.3654 118.3145 59.3727 30.0825 178.4299 128 R 3.8039 7.8157 117.7811 59.5528 30.0681 178.7335 129 R 4.0982 7.9445 118.3934 59.7422 29.7222 177.8855 130 S 4.4003 7.5274 111.2378 59.8343 63.4304 175.3175 131 T 4.2411 8.0341 112.9216 61.2101 69.3596 174.1376 132 R 4.2035 7.0811 122.5527 54.4147 31.5405 175.4055 133 V 3.9591 7.9297 125.3794 61.6105 30.9595 174.8875 134 Y 4.1011 8.2182 125.5369 57.1530 39.1196 175.1528 135 Q 4.3103 8.0708 121.5195 54.0939 30.8132 172.3982 136 P 4.3702 0.0000 0.0000 61.7147 32.0877 174.6624 137 P 4.4244 0.0000 0.0000 62.3948 31.8596 176.0447 138 D 4.0499 8.4860 121.0332 54.2588 41.1628 176.9767 139 S 4.4143 8.1226 119.0910 56.8518 64.0392 171.5990 140 P 4.5422 0.0000 0.0000 63.8573 31.3311 176.7907 141 G 4.0803 9.0564 111.7140 47.3016 0.0000 175.0309 142 Y 3.7278 8.1628 122.8697 59.8617 38.6688 176.6564 143 F 3.9375 8.2574 121.1709 61.6080 39.3986 176.7749 144 D 4.1604 8.2417 116.5421 57.0199 40.8711 178.4702 145 G 3.5679 7.8327 105.4712 46.6878 0.0000 173.6620 146 H 4.3869 7.6650 117.6035 57.5824 32.1698 174.5103 147 V 3.5938 7.0662 116.8671 65.7424 31.8185 176.7768 148 W 4.0797 8.5062 130.3539 59.9779 30.8179 177.3555 149 P 4.1172 0.0000 0.0000 63.2215 30.6649 177.4275 *151 Y 4.6721 8.0643 120.8624 57.6919 40.4588 177.0523 152 L 3.5712 7.3416 119.4265 57.4395 41.5462 179.5249 153 K 3.8911 7.9236 119.6984 59.4138 31.8843 178.3825 154 Y 4.3447 7.6267 118.5082 60.8320 38.9457 177.2739 155 R 3.5169 7.6432 118.0740 59.2425 30.1420 178.5405 156 Q 3.9568 7.3949 117.5660 58.7766 29.8095 179.0238 157 E 4.1792 7.6697 120.1236 56.0391 28.0092 177.8006 *159 Q 4.1612 7.8901 116.7581 55.5639 31.1742 176.5578 160 D 4.4844 8.0344 116.5948 56.1223 41.6985 176.9150 161 I 2.9887 6.7849 117.8060 60.8444 37.2112 175.1438 162 T 4.2334 8.2848 114.7564 61.8285 70.0554 174.5969 163 W 4.6423 7.6444 118.4670 55.0293 30.4133 174.0622 164 E 4.3010 8.7669 118.9876 54.8305 29.9718 175.0643 165 V 4.0944 7.8664 125.8123 60.8590 34.0062 174.7584 166 V 4.0704 8.3221 128.7361 61.9448 32.3582 174.4203 167 Y 4.9027 8.7499 126.5123 57.8322 38.7572 175.1597 168 L 4.9125 9.2251 123.5533 52.9721 45.8521 175.4534 169 D 4.9424 8.7178 122.1422 53.1045 41.6310 176.9451 170 G 3.9468 9.2410 115.7890 46.7853 0.0000 173.2623 171 T 4.1723 8.0355 109.9127 62.7923 69.4844 175.1893 172 K 4.1944 7.5004 121.0944 55.7842 32.9186 176.7896 173 S 4.2828 8.3271 113.3486 58.5289 63.7710 174.2961 174 E 4.0074 8.6999 127.5384 59.1511 29.4526 178.8659 175 E 4.1975 8.1337 117.2303 59.0915 30.1018 178.4760 176 D 4.3861 7.9347 120.0840 57.1618 40.8580 178.6985 177 L 4.0044 8.0343 119.5286 57.6266 41.5989 179.1216 178 F 4.1919 7.9178 120.0927 61.6075 39.3136 177.2723 179 L 3.6208 8.2709 118.7229 57.4953 41.0378 179.3174 180 Q 3.9163 8.0791 119.6832 59.0900 29.0220 178.6263 181 V 3.3809 7.6388 119.1953 66.0214 31.0596 177.0673 182 Y 4.1727 8.2190 119.6742 60.9070 38.3433 178.1996 183 E 3.7443 8.1851 119.0716 59.5334 29.2806 178.6738 184 D 4.3494 7.7330 117.6760 57.6399 41.0565 178.4646 185 L 3.9138 8.5628 119.3965 57.2569 41.5056 179.1458 186 I 3.8223 7.0925 118.7655 63.3762 37.1508 177.2776 187 Q 4.3046 7.9251 115.8930 56.4360 28.4262 176.3433 188 E 4.6312 7.4986 119.5130 56.6517 32.1125 177.1273 189 L 4.0369 7.4018 117.5587 55.9751 42.3339 178.8695 190 A 3.9720 8.3149 122.1172 55.1885 18.2946 178.8055 191 K 4.4277 7.8031 113.3649 57.3260 32.4434 177.1292 192 Q 4.2558 7.6860 123.6929 56.1485 29.1722 175.7177 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 2 K 8.30 4.56 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 7.95 4.81 4.67 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 1.14 0.00 0.00 4 F 10.20 4.76 0.00 3.18 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 5 I 7.99 4.86 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.88 0.00 0.00 6 I 9.30 5.03 2.06 0.00 0.00 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 1.56 1.01 1.23 0.00 0.00 7 G 9.08 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 0.00 0.00 0.00 8 I 8.75 5.09 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 1.28 1.30 0.94 0.00 0.00 9 S 9.60 5.70 0.00 3.00 3.37 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 10 G 8.62 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 11 V 7.71 3.60 0.67 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 0.65 0.00 0.00 0.74 0.00 0.00 12 T 8.32 3.86 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 1.35 0.00 0.00 13 N 8.76 4.30 0.00 2.93 2.90 0.00 0.00 7.00 7.57 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 14 S 7.64 4.31 0.00 3.96 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 15 G 8.29 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 0.00 0.00 0.00 0.00 16 K 8.40 3.97 0.00 1.91 1.88 0.00 1.84 0.00 0.00 1.94 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 T 7.85 3.88 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 1.21 0.00 0.00 18 T 7.89 3.83 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 1.24 0.00 0.00 19 L 8.04 3.97 0.00 1.88 1.67 0.98 1.07 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 20 A 8.11 4.03 1.43 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 21 K 8.21 3.96 0.00 1.74 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.60 7.81 22 N 7.94 4.00 0.00 2.78 1.90 0.00 0.00 7.00 6.09 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 23 L 7.94 4.30 0.00 1.96 1.88 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.94 4.04 0.00 2.09 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 25 K 7.78 4.07 0.00 1.71 1.54 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.67 7.81 26 H 7.57 4.87 0.00 2.92 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.39 4.93 0.00 1.86 1.69 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.48 0.00 2.23 2.10 0.00 4.01 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 29 N 8.76 4.19 0.00 3.03 3.07 0.00 0.00 6.60 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 30 C 8.00 5.53 0.00 3.09 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 31 S 9.91 5.04 0.00 3.63 3.74 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 32 V 8.24 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 0.84 0.00 0.00 1.02 0.00 0.00 33 I 8.80 4.66 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 1.00 0.00 0.00 34 S 8.62 5.44 0.00 4.05 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 35 Q 9.36 4.09 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 36 D 8.16 4.79 0.00 2.90 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 37 D 8.16 4.60 0.00 2.39 2.40 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 38 F 7.92 4.77 0.00 3.15 3.14 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 39 F 8.30 4.87 0.00 3.05 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 40 K 9.06 4.47 0.00 1.71 1.81 0.00 1.88 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.47 7.81 41 P 0.00 4.48 0.00 2.15 2.22 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 42 E 9.18 3.97 0.00 2.08 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 0.00 2.45 2.47 0.00 43 S 8.09 4.34 0.00 4.03 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 44 E 8.09 4.47 0.00 2.14 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 2.28 2.27 0.00 45 I 7.36 4.02 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.04 0.37 0.00 0.00 46 E 8.66 4.84 0.00 1.91 1.84 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 2.31 2.27 0.00 47 T 8.22 4.99 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 1.24 0.00 0.00 48 D 8.84 4.70 0.00 3.02 3.13 0.00 0.00 0.00 0.00 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7.81 4.32 0.00 3.90 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 69 A 7.72 4.18 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 70 I 7.57 3.80 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.86 0.00 0.00 71 S 8.01 4.32 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 72 C 8.19 4.46 0.00 3.32 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 73 W 8.02 4.08 0.00 3.49 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 4.16 0.00 2.22 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 0.00 2.26 2.74 0.00 76 S 7.92 4.26 0.00 3.95 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 77 A 7.64 3.65 0.36 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.12 4.41 0.00 4.13 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 0.00 140 P 0.00 4.54 0.00 2.16 2.12 0.00 3.88 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 2.08 2.14 0.00 141 G 9.06 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 0.00 142 Y 8.16 3.73 0.00 3.28 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 0.00 143 F 8.26 3.94 0.00 3.19 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 0.00 144 D 8.24 4.16 0.00 2.80 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 0.00 145 G 7.83 3.57 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 0.00 0.00 0.00 146 H 7.66 4.39 0.00 2.17 2.10 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.07 3.59 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 0.84 0.00 0.00 0.67 0.00 0.00 148 W 8.51 4.08 0.00 2.79 2.91 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 0.00 149 P 0.00 4.12 0.00 2.14 2.03 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 *151 Y 8.06 4.67 0.00 2.93 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 0.00 152 L 7.34 3.57 0.00 1.71 1.51 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.92 3.89 0.00 1.88 1.76 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.42 7.81 154 Y 7.63 4.34 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 3.52 0.00 1.47 1.64 0.00 2.99 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 156 Q 7.39 3.96 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.63 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.67 4.18 0.00 2.20 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 0.00 2.36 2.55 0.00 *159 Q 7.89 4.16 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 160 D 8.03 4.48 0.00 2.61 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 0.00 161 I 6.78 2.99 1.35 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.03 -0.40 0.00 0.00 162 T 8.28 4.23 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 1.24 0.00 0.00 163 W 7.64 4.64 0.00 3.36 3.27 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 0.00 164 E 8.77 4.30 0.00 1.93 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 2.13 2.23 0.00 165 V 7.87 4.09 1.49 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 0.04 0.00 0.00 0.04 0.00 0.00 166 V 8.32 4.07 1.93 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 1.11 0.00 0.00 0.83 0.00 0.00 167 Y 8.75 4.90 0.00 2.96 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 0.00 168 L 9.23 4.91 0.00 1.67 1.61 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.72 4.94 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.24 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 0.00 171 T 8.04 4.17 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 1.28 0.00 0.00 172 K 7.50 4.19 0.00 2.08 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.33 4.28 0.00 3.90 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 0.00 174 E 8.70 4.01 0.00 2.07 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 0.00 2.35 2.36 0.00 175 E 8.13 4.20 0.00 2.32 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 0.00 2.37 2.43 0.00 176 D 7.93 4.39 0.00 2.91 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 0.00 177 L 8.03 4.00 0.00 1.75 1.74 0.99 1.08 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 0.00 178 F 7.92 4.19 0.00 3.05 3.27 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 0.00 179 L 8.27 3.62 0.00 1.83 1.66 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.08 3.92 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 181 V 7.64 3.38 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 0.35 0.00 0.00 0.49 0.00 0.00 182 Y 8.22 4.17 0.00 2.19 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 0.00 183 E 8.19 3.74 0.00 2.01 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 0.00 2.28 2.57 0.00 184 D 7.73 4.35 0.00 2.91 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 0.00 185 L 8.56 3.91 0.00 2.00 1.64 1.26 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.09 3.82 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.45 0.76 0.00 0.00 187 Q 7.93 4.30 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 188 E 7.50 4.63 0.00 1.94 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 2.38 2.54 0.00 189 L 7.40 4.04 0.00 1.67 1.55 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.31 3.97 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 0.00 191 K 7.80 4.43 0.00 1.79 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 192 Q 7.69 4.26 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.