NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.2250 8.0249 121.4015 60.8561 38.6174 175.0395 7 E 4.2053 8.7899 127.7618 56.1682 30.5798 174.7400 8 R 5.1048 10.2202 123.7651 54.0727 34.8615 176.3073 9 L 4.0865 8.8640 121.0786 58.1481 40.3425 180.0237 10 Q 5.0774 8.2370 115.4193 58.0672 28.6491 177.9498 11 D 4.3723 8.1442 118.3696 56.5394 41.1734 176.4011 12 Y 4.3164 7.5507 114.0092 58.8443 39.6727 175.9045 13 L 4.6644 8.1628 122.8381 52.5951 42.7844 176.0481 14 L 4.0254 6.1573 124.5238 53.4169 42.2679 176.5928 15 P 2.9700 0.0000 0.0000 65.1787 31.1578 178.5877 16 E 4.0762 7.7000 115.8753 58.1668 29.4820 178.6675 17 W 4.6960 8.2005 119.3660 58.9834 29.0956 178.3014 18 V 4.1175 7.9226 113.5551 64.4878 30.9943 177.9985 19 S 4.7174 8.3249 114.3109 59.7224 63.0025 176.1958 20 I 3.5935 7.8253 124.4184 64.3850 36.5653 177.1899 21 F 4.3925 8.0015 115.4872 58.3206 38.8616 176.4259 22 D 4.8662 8.0881 119.0221 53.9859 40.7575 175.8386 23 I 4.1536 7.2577 121.4179 60.6308 36.9749 175.8622 24 A 4.2036 8.5861 129.8143 54.2553 19.0186 177.2929 25 D 4.7241 7.8215 115.1484 52.4605 40.8090 176.9796 26 F 3.9596 8.9661 124.2184 61.7671 39.7085 176.6968 27 S 4.2541 8.4197 114.9210 61.5784 63.1852 176.0851 28 G 3.6628 8.2627 109.0127 48.6782 0.0000 175.9473 29 R 4.0179 7.6902 119.7173 56.1548 29.7449 177.9640 *31 L 4.1051 8.0997 119.4998 54.6158 43.9096 178.8670 32 R 3.7642 7.2919 116.7938 58.9345 29.9380 179.0149 33 I 3.4288 7.5705 119.8027 64.3168 36.8588 178.4557 34 R 3.9767 7.6762 117.8730 58.8871 30.1204 178.0927 35 G 3.6593 7.9627 104.7575 46.7910 0.0000 174.5369 36 D 4.5771 7.8336 119.9846 55.7481 42.0585 178.9913 37 I 3.5393 6.9347 119.5352 63.8041 37.2440 177.9962 38 R 3.8229 7.8265 119.5667 59.2569 29.9594 176.7693 39 P 4.2446 0.0000 0.0000 65.4661 31.2135 178.5216 40 A 4.2195 7.6833 118.8223 55.2475 18.3861 179.6789 41 L 3.9850 8.3862 117.8553 57.8416 41.6255 179.7939 42 L 3.9979 8.1820 119.1060 57.9456 41.5785 179.8292 43 R 4.0319 8.0646 117.9106 59.0875 30.0071 178.9094 44 L 3.1576 8.3722 120.3706 57.6537 41.9451 178.8451 45 A 3.9071 8.3519 121.1872 55.3957 18.3459 179.8777 46 S 4.0535 8.0550 113.6832 61.5138 62.7982 177.0051 47 R 4.0169 7.9507 121.5849 59.3760 29.8080 178.5376 48 L 3.8174 8.2121 119.0218 57.6605 41.5161 179.3579 49 A 3.9236 8.1543 120.8532 55.0614 18.0797 179.3955 50 E 3.8855 7.8744 116.0220 59.7295 29.7615 179.4023 51 L 4.0843 7.9747 118.8458 57.6369 41.6275 179.5824 52 L 3.5929 8.0120 119.3174 57.7173 41.2942 178.9798 53 N 4.7987 8.1097 113.6753 54.9100 38.5970 176.7828 54 E 4.3930 7.7167 120.1779 57.8777 30.1129 177.0562 55 S 4.5379 7.8840 113.7093 55.4256 64.3471 171.4837 56 P 4.5345 0.0000 0.0000 62.7969 31.3717 176.6441 57 G 4.5202 8.2302 110.8796 43.3360 0.0000 171.6853 58 P 4.3257 0.0000 0.0000 64.8686 31.5940 176.3250 59 R 4.3959 6.5755 112.8823 53.1470 33.8289 172.9746 60 P 4.2826 0.0000 0.0000 62.4111 32.4157 175.8174 61 W 5.1743 8.4493 120.5369 55.3462 31.8891 174.6090 62 Y 4.9869 9.4984 122.8787 55.4289 40.8907 173.3627 63 P 5.1066 0.0000 0.0000 63.0113 32.8972 174.9219 64 H 5.0091 8.9922 117.7013 54.5321 33.7367 172.4529 65 V 4.6872 8.1192 119.1398 60.5113 34.5913 174.9438 66 A 3.8134 7.9921 129.0334 52.7804 17.8682 177.9163 67 S 4.0501 8.8192 115.9323 58.1781 63.9886 173.0255 68 H 3.7308 7.7285 116.0612 56.5802 25.5910 174.0511 *70 R 4.3944 8.2885 122.3054 55.8732 32.0125 177.0973 71 R 4.4135 7.9506 115.4404 56.1599 31.0034 176.1300 72 R 3.9658 8.3408 116.4329 56.8453 33.8836 176.2369 73 V 3.8477 7.6408 114.1172 63.3105 33.5067 174.9589 74 N 5.0200 7.9602 116.9089 50.5310 39.7082 173.0434 75 P 4.5704 0.0000 0.0000 61.6133 30.8399 174.4407 76 P 4.5107 0.0000 0.0000 62.3086 31.6228 175.9134 77 P 4.5020 0.0000 0.0000 64.8300 31.7737 175.5218 78 E 4.6794 7.6484 114.5506 55.7719 32.7754 173.9038 79 T 4.9485 9.0028 115.0367 60.5614 71.7033 172.0132 80 W 5.2945 7.5923 119.2144 55.4700 31.3787 173.1214 81 L 4.9988 8.4797 120.9817 54.2274 42.9183 175.0932 82 A 5.0944 8.7203 121.6834 50.1016 22.7239 175.0467 83 L 5.2633 9.3775 121.3900 53.2304 44.7281 176.1116 84 G 4.8533 9.2309 111.0200 44.4557 0.0000 170.4528 85 P 5.0399 0.0000 0.0000 62.8752 31.9639 175.4226 86 E 4.5378 7.7433 118.1950 54.2424 32.3212 175.9652 87 K 3.3069 8.0804 123.2390 58.2785 32.5215 177.4629 88 R 4.5882 7.7211 116.4703 55.2179 32.7419 175.9269 89 G 4.2860 10.2108 108.1962 46.5131 0.0000 172.5497 90 Y 4.9981 7.6581 114.0403 56.8494 41.5261 177.2633 91 K 3.7803 7.3016 119.1410 58.9250 31.8988 177.6585 92 S 4.2447 7.7604 113.2836 58.7841 63.0158 172.7863 93 Y 4.7318 7.5731 116.8254 55.4316 41.8105 174.7271 94 A 4.4228 8.9905 123.8715 53.4138 19.1187 176.7173 95 H 5.0616 8.3588 114.3308 54.8412 32.5841 172.7087 96 S 5.1678 8.9242 115.8071 57.4162 65.2651 173.6220 97 G 4.3692 9.3535 109.0429 44.5491 0.0000 171.3776 98 V 5.0129 8.1996 121.0391 60.9322 33.9581 174.4549 99 F 5.4858 9.4726 126.6827 55.6878 42.4873 174.2113 100 I 5.0252 9.0113 122.0486 59.6940 41.3472 174.9565 101 G 3.2078 8.5799 116.4100 44.3801 0.0000 173.0968 102 G 3.7371 8.4288 107.2464 48.3016 0.0000 174.5120 103 R 4.2070 7.8643 117.7745 56.5064 31.4229 176.2182 104 G 4.1763 8.2565 102.8172 44.9984 0.0000 172.3824 105 L 5.3620 8.1697 120.8914 53.5053 44.5548 175.8490 106 S 5.1327 8.7415 114.8888 57.2241 67.1739 173.0391 107 V 5.0302 9.0818 120.8917 61.5185 34.0832 174.5841 108 R 5.1381 9.3445 126.0278 54.4191 35.0829 173.7694 109 F 4.7405 8.7370 123.5203 56.3894 41.6073 174.3828 110 I 4.8026 7.6733 126.5564 59.2617 40.9883 174.4398 111 L 4.5926 8.5388 125.8967 52.7816 44.5338 176.8129 112 K 4.4660 8.5491 123.8133 55.2271 33.1511 177.7786 113 D 4.8278 8.9322 119.8807 55.9033 38.9367 177.6353 114 E 4.0230 8.0173 114.3389 57.0292 30.7201 176.8678 115 A 4.4581 7.7469 125.9112 50.5215 17.8152 178.0388 116 I 3.6363 7.4735 127.2766 64.0524 37.8300 178.4145 117 E 3.9818 7.9759 118.7533 59.5086 29.3459 179.1812 118 E 4.3213 7.9739 119.4352 58.7475 29.5479 179.4240 119 R 3.9786 8.2824 118.6239 59.0336 30.0476 179.1210 120 K 3.9587 8.1335 118.2968 59.4799 32.0581 179.1070 121 N 4.3492 8.2970 116.6328 56.4174 38.3296 177.3483 122 L 4.2524 8.2453 120.7911 58.0526 42.2760 178.7378 123 G 3.8109 8.4200 105.3988 47.6868 0.0000 175.2601 124 R 4.1187 8.2389 121.1448 58.8987 30.1317 179.5192 125 W 4.3015 8.0616 125.5337 58.2892 30.5641 177.4822 *127 S 4.3118 7.9865 114.5208 58.0370 64.0545 175.3846 128 R 4.2138 7.8165 116.7814 57.4514 30.4663 176.7085 129 S 4.5479 7.4754 115.1746 56.8024 64.0933 176.5339 130 G 3.7605 8.3801 108.5555 47.8621 0.0000 173.4446 131 P 4.2954 0.0000 0.0000 65.0852 31.3372 178.6110 132 A 4.1200 7.9526 119.2234 54.9870 18.3137 179.2963 133 F 4.3282 8.4123 119.3330 61.6889 39.5446 177.2462 134 E 4.0986 8.8256 118.5636 59.4018 29.1940 179.3792 135 Q 4.0073 8.3858 118.1947 58.7263 28.8643 178.6017 136 W 4.0939 8.4088 129.3320 60.3850 30.5410 177.7087 137 K 3.2310 8.2756 119.8971 59.2291 31.3067 178.5401 138 K 3.8817 7.7369 118.6665 59.3360 32.1729 178.3686 139 K 3.9571 7.5649 118.8477 59.3449 32.2543 178.5771 140 V 3.5430 7.0867 109.8925 60.0180 32.0188 177.3880 141 G 3.8218 7.8437 107.7254 46.5451 0.0000 176.3465 142 D 4.5684 8.6302 121.3428 52.6441 39.8470 175.2733 143 L 4.1375 7.5481 123.8481 55.1527 43.7272 176.5329 144 R 4.9585 9.0877 125.4666 54.4491 33.5795 174.7093 145 D 5.0618 8.6578 122.3924 53.0799 41.4561 176.4579 146 F 4.1875 9.5740 126.0890 58.8181 39.9335 178.3087 147 G 3.8813 8.7111 110.9029 48.3623 0.0000 174.1158 148 P 4.4893 0.0000 0.0000 64.0868 31.6992 177.5112 149 V 4.3220 7.6048 111.4077 61.0601 31.7689 177.0778 150 H 4.1484 8.0064 118.2303 58.4812 28.0143 175.7826 151 D 4.8443 7.6199 116.1490 53.9318 41.0997 176.6020 152 D 4.7878 8.0620 120.4166 51.3388 41.2927 174.6660 153 P 4.2332 0.0000 0.0000 62.8140 31.0608 176.8977 *155 A 4.0153 7.8144 120.1964 52.3210 19.4658 176.8405 156 D 4.3416 8.5951 122.2086 53.2283 41.6425 174.4200 157 P 4.2068 0.0000 0.0000 61.8431 32.0844 174.3107 158 P 4.4843 0.0000 0.0000 62.2941 32.8560 175.6407 159 K 4.3983 8.3655 120.3883 56.2778 32.9014 177.0432 160 V 3.1967 8.0595 124.3668 63.3013 31.3303 175.5602 161 E 4.4983 8.1911 125.3211 55.0823 31.5735 176.0531 162 W 4.4460 7.1016 115.8024 55.8635 29.0596 175.6888 163 D 4.6676 8.8480 119.0427 53.3497 41.4764 175.1949 164 P 4.3176 0.0000 0.0000 65.8051 31.2195 178.4924 165 R 3.7896 8.3876 118.7904 59.3896 30.0544 178.6982 166 V 3.5808 7.7151 117.6088 65.7218 31.5518 177.5574 167 F 3.6974 8.5323 120.9886 61.0348 39.0972 177.3363 168 G 3.5764 8.3894 105.8239 47.7457 0.0000 175.2483 169 E 3.8929 7.9793 121.7125 58.9356 29.6320 178.9956 170 R 3.7115 7.8077 118.7511 59.2396 29.9201 178.1894 171 L 3.8183 7.6259 119.4370 58.0203 42.0811 178.8644 172 G 3.7155 7.9930 105.0410 46.6036 0.0000 174.9731 173 S 4.5824 7.4580 113.6069 57.4128 64.9158 174.1638 174 L 4.5131 7.2803 123.4013 52.7830 42.6812 177.8182 175 K 3.9446 8.7109 123.0998 58.8343 32.1355 177.7741 176 S 4.4993 7.7699 110.2225 57.7487 63.9414 173.9370 177 A 4.3150 7.6303 124.0508 52.5889 19.4165 176.6020 178 S 4.9440 7.9921 112.3488 57.4809 66.1981 173.3852 179 L 4.9606 9.1260 122.3356 53.6446 45.4334 175.2356 180 D 5.1090 8.7336 125.4452 53.3745 43.1297 173.2202 181 I 5.1343 9.5079 118.6805 58.1580 41.3337 176.0688 182 G 3.7937 7.6988 110.0567 46.3452 0.0000 171.1430 183 F 5.3860 8.2315 120.0213 55.6945 43.2810 174.8867 184 R 4.8116 8.9540 121.6026 56.3609 30.7398 176.2684 185 V 4.7289 8.4782 115.6602 59.7035 35.9381 175.5976 186 T 4.4085 8.3133 112.3121 60.6979 70.2956 175.9425 187 F 4.0434 8.9201 121.5454 60.5521 39.0892 176.5855 188 D 4.6897 8.1105 117.3710 53.5295 39.7913 176.4784 189 T 3.9957 7.8332 118.8259 63.4374 69.1694 174.2168 190 S 4.6648 8.4848 121.0071 58.3588 65.0638 175.4727 191 L 3.9218 8.8416 124.3716 57.9573 41.3769 179.8417 192 A 4.0627 8.0228 120.4162 55.1295 18.2765 179.8025 193 G 3.4656 8.2197 104.2280 47.9136 0.0000 176.0852 194 I 3.6380 7.8382 122.2995 63.9169 37.0526 178.5329 195 V 3.3715 8.0630 119.5663 65.9621 31.0903 177.9898 196 K 3.8350 7.6168 117.7701 59.6887 32.3335 178.5544 197 T 3.7475 7.8852 116.1182 66.6745 68.4009 176.6865 198 I 3.8086 7.8755 121.8755 64.5017 37.0389 178.7554 199 R 4.1772 8.1469 119.1112 59.2147 29.6257 178.9327 200 T 4.0931 7.4506 108.4078 63.9743 68.9613 175.6287 201 F 4.7592 8.0367 119.8545 58.3423 39.0865 176.8134 202 D 4.5943 8.3853 120.6163 57.2919 40.6602 178.2092 203 L 3.6811 7.7687 120.2449 58.2015 42.0276 179.0537 204 L 3.3477 7.0232 118.1237 57.4642 41.1642 178.5017 205 Y 4.5709 8.0219 119.6583 60.9300 38.8806 178.2374 206 A 3.7927 8.3346 121.9682 55.1908 18.0409 179.4971 207 E 3.8128 7.8332 116.4268 58.8757 29.1459 179.1953 208 A 3.8298 8.0329 120.8116 54.4847 18.1443 179.0841 209 E 3.9607 7.7246 117.3304 58.0951 29.8053 176.5571 210 K 4.1869 7.4512 121.8567 56.4331 32.8898 175.6848 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 6 I 8.02 4.23 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.91 0.00 0.00 7 E 8.79 4.21 0.00 2.06 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 0.00 2.45 2.43 0.00 8 R 10.22 5.10 0.00 1.74 1.82 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 9 L 8.86 4.09 0.00 1.94 1.74 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.24 5.08 0.00 2.26 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 11 D 8.14 4.37 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.55 4.32 0.00 3.13 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 13 L 8.16 4.66 0.00 1.93 1.98 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 L 6.16 4.03 0.00 0.27 1.07 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 2.97 0.00 1.75 1.41 0.00 3.24 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 16 E 7.70 4.08 0.00 2.00 2.02 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 2.35 2.39 0.00 17 W 8.20 4.70 0.00 3.69 3.28 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 18 V 7.92 4.12 2.44 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 1.32 0.00 0.00 1.10 0.00 0.00 19 S 8.32 4.72 0.00 4.12 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 20 I 7.83 3.59 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.23 0.00 0.00 21 F 8.00 4.39 0.00 3.37 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 22 D 8.09 4.87 0.00 2.89 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 23 I 7.26 4.15 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 1.18 0.47 0.97 0.00 0.00 24 A 8.59 4.20 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 25 D 7.82 4.72 0.00 2.88 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 26 F 8.97 3.96 0.00 3.21 3.16 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 27 S 8.42 4.25 0.00 3.95 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 28 G 8.26 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 29 R 7.69 4.02 0.00 1.87 1.65 0.00 3.08 0.00 0.00 2.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.00 *31 L 8.10 4.11 0.00 1.86 1.70 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.29 3.76 0.00 1.82 1.64 0.00 3.21 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 33 I 7.57 3.43 1.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.75 0.00 0.00 34 R 7.68 3.98 0.00 1.70 1.84 0.00 3.18 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 35 G 7.96 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 36 D 7.83 4.58 0.00 2.18 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 0.00 0.00 0.00 37 I 6.93 3.54 1.85 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 0.72 0.24 1.04 0.00 0.00 38 R 7.83 3.82 0.00 1.90 2.06 0.00 3.04 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 39 P 0.00 4.24 0.00 2.25 2.11 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 40 A 7.68 4.22 1.79 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 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1.58 0.94 0.87 0.00 0.00 117 E 7.98 3.98 0.00 1.94 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 2.32 0.00 118 E 7.97 4.32 0.00 2.03 2.06 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 2.46 2.31 0.00 119 R 8.28 3.98 0.00 2.01 2.19 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 120 K 8.13 3.96 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.69 7.81 121 N 8.30 4.35 0.00 3.07 3.06 0.00 0.00 6.71 6.28 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 0.00 122 L 8.25 4.25 0.00 1.72 1.83 1.03 1.26 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 0.00 123 G 8.42 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 0.00 124 R 8.24 4.12 0.00 1.92 2.26 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 125 W 8.06 4.30 0.00 3.51 3.40 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 *127 S 7.99 4.31 0.00 4.05 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 0.00 128 R 7.82 4.21 0.00 1.71 1.92 0.00 3.09 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 129 S 7.48 4.55 0.00 2.72 3.34 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 0.00 130 G 8.38 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 0.00 131 P 0.00 4.30 0.00 2.19 2.14 0.00 3.50 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 2.16 0.00 132 A 7.95 4.12 1.50 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 0.00 0.00 133 F 8.41 4.33 0.00 3.09 3.26 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 0.00 134 E 8.83 4.10 0.00 2.24 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 2.70 2.60 0.00 135 Q 8.39 4.01 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 136 W 8.41 4.09 0.00 3.45 3.34 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 0.00 137 K 8.28 3.23 0.00 1.52 1.78 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.22 7.81 138 K 7.74 3.88 0.00 1.81 1.94 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 139 K 7.56 3.96 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.57 7.81 140 V 7.09 3.54 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 0.08 0.00 0.00 0.14 0.00 0.00 141 G 7.84 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 0.00 142 D 8.63 4.57 0.00 2.66 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 0.00 143 L 7.55 4.14 0.00 1.72 1.41 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 144 R 9.09 4.96 0.00 1.55 1.47 0.00 3.38 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 145 D 8.66 5.06 0.00 2.67 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 0.00 146 F 9.57 4.19 0.00 3.23 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 0.00 147 G 8.71 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 0.00 0.00 0.00 148 P 0.00 4.49 0.00 2.08 2.18 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 149 V 7.60 4.32 2.24 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 0.72 0.00 0.00 0.94 0.00 0.00 150 H 8.01 4.15 0.00 3.29 3.58 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.62 4.84 0.00 2.47 2.66 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 0.00 152 D 8.06 4.79 0.00 2.56 2.55 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 0.00 153 P 0.00 4.23 0.00 2.24 2.22 0.00 3.83 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 2.05 2.05 0.00 *155 A 7.81 4.02 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 0.00 156 D 8.60 4.34 0.00 2.60 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 0.00 157 P 0.00 4.21 0.00 1.51 1.21 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.00 158 P 0.00 4.48 0.00 2.09 2.17 0.00 3.79 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 2.03 1.98 0.00 159 K 8.37 4.40 0.00 1.58 1.68 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 160 V 8.06 3.20 1.75 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 -0.69 0.00 0.00 0.70 0.00 0.00 161 E 8.19 4.50 0.00 1.88 1.86 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 2.28 2.14 0.00 162 W 7.10 4.45 0.00 3.50 3.16 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 0.00 163 D 8.85 4.67 0.00 2.84 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 0.00 164 P 0.00 4.32 0.00 2.07 1.74 0.00 3.89 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 165 R 8.39 3.79 0.00 1.88 2.07 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 166 V 7.72 3.58 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 0.93 0.00 0.00 0.94 0.00 0.00 167 F 8.53 3.70 0.00 2.64 2.41 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 0.00 168 G 8.39 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 0.00 169 E 7.98 3.89 0.00 2.11 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 0.00 2.24 2.26 0.00 170 R 7.81 3.71 0.00 1.65 1.51 0.00 2.99 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 171 L 7.63 3.82 0.00 1.43 1.74 0.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 172 G 7.99 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 0.00 173 S 7.46 4.58 0.00 3.98 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 0.00 174 L 7.28 4.51 0.00 1.62 1.53 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.71 3.94 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 176 S 7.77 4.50 0.00 3.91 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 0.00 177 A 7.63 4.31 1.14 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 0.00 178 S 7.99 4.94 0.00 3.95 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 0.00 179 L 9.13 4.96 0.00 1.88 1.57 1.07 1.56 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 0.00 180 D 8.73 5.11 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 9.51 5.13 2.03 0.00 0.00 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 1.40 0.97 1.17 0.00 0.00 182 G 7.70 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 0.00 183 F 8.23 5.39 0.00 3.01 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 0.00 184 R 8.95 4.81 0.00 1.80 1.95 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 185 V 8.48 4.73 2.06 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 0.75 0.00 0.00 0.89 0.00 0.00 186 T 8.31 4.41 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 1.25 0.00 0.00 187 F 8.92 4.04 0.00 3.10 3.15 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 0.00 0.00 0.00 0.00 188 D 8.11 4.69 0.00 2.79 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 0.00 189 T 7.83 4.00 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 190 S 8.48 4.66 0.00 4.03 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 0.00 191 L 8.84 3.92 0.00 1.67 1.70 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.02 4.06 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 0.00 193 G 8.22 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 I 7.84 3.64 1.92 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 1.58 0.88 0.86 0.00 0.00 195 V 8.06 3.37 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 0.79 0.00 0.00 0.80 0.00 0.00 196 K 7.62 3.84 0.00 1.87 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 197 T 7.89 3.75 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 1.02 0.00 0.00 198 I 7.88 3.81 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.05 0.87 0.00 0.00 199 R 8.15 4.18 0.00 2.00 2.05 0.00 3.09 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 200 T 7.45 4.09 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 1.16 0.00 0.00 201 F 8.04 4.76 0.00 3.35 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 0.00 202 D 8.39 4.59 0.00 2.88 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 0.00 203 L 7.77 3.68 0.00 1.56 1.17 0.71 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.02 3.35 0.00 0.48 1.02 0.38 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 205 Y 8.02 4.57 0.00 3.20 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 0.00 206 A 8.33 3.79 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 0.00 207 E 7.83 3.81 0.00 1.32 1.62 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 1.78 1.47 0.00 208 A 8.03 3.83 1.55 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 0.00 0.00 209 E 7.72 3.96 0.00 1.86 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 2.26 2.27 0.00 210 K 7.45 4.19 0.00 1.54 1.63 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.