NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.6096 8.4449 120.4005 55.9643 30.9291 172.4754 5 E 4.2486 8.3142 126.8207 54.0002 29.4960 174.5211 6 L 4.1707 8.1710 125.1740 54.8135 43.3041 177.9793 7 T 4.2246 8.6571 113.9323 61.1711 71.0761 175.8265 8 E 3.9073 8.5974 121.3356 59.7390 29.4845 179.4498 9 N 4.3408 8.0662 116.0742 56.3947 38.6536 177.3423 10 Q 4.0848 8.1105 119.5564 58.7551 28.7128 178.8329 11 K 4.4404 8.2462 121.2621 59.0204 32.0157 179.1101 12 N 4.3275 8.3532 116.8860 56.3540 38.4621 177.4982 13 R 3.9431 8.1785 120.0850 59.3982 30.1799 178.6995 14 R 3.9480 8.0724 118.0080 59.1331 29.9693 178.8228 15 F 3.9937 8.6574 120.7563 61.2008 39.4613 176.5127 16 E 4.0488 8.7136 119.3825 59.6011 29.3497 179.1212 17 V 3.4788 7.8997 117.9494 65.8833 31.5853 177.8775 18 S 3.6557 7.9578 114.9471 61.6655 62.7520 176.7267 19 S 3.8818 7.9579 115.6359 61.5532 62.0898 176.4191 20 S 4.0763 7.9018 117.7574 61.4271 62.4274 176.7420 21 L 3.6987 7.7661 122.0169 57.5105 41.0519 179.2961 22 I 3.9403 7.3417 119.7305 64.6831 37.1228 178.3899 23 L 4.0040 7.9282 119.3707 57.7804 41.3942 179.5021 24 R 3.9356 8.3796 119.0407 59.6904 29.6058 178.1317 25 N 4.4532 8.7454 117.0016 56.8003 38.6719 176.4152 26 H 4.2075 8.4630 119.4255 59.3062 30.0685 176.7106 27 N 4.6551 8.4758 117.6667 55.4785 39.6068 175.9019 28 E 4.7741 8.4765 119.1014 53.7198 31.8463 171.7579 29 P 4.5319 0.0000 0.0000 62.4386 32.3039 176.2230 30 F 5.0724 9.2031 114.7712 56.1386 39.5377 176.6100 31 L 3.9406 7.6929 122.8251 57.7382 41.6174 178.7915 32 D 4.4271 8.1130 117.1121 55.6427 39.4188 177.1469 33 R 4.3685 8.0975 117.6852 56.2332 30.9211 175.8880 34 I 4.3369 7.4916 120.3007 61.4366 37.6325 175.6067 35 V 4.4893 9.3761 128.1295 61.5787 33.8044 174.4274 36 T 5.1132 8.6739 120.8650 59.8363 71.1261 171.9575 37 C 5.3199 8.0033 118.5290 58.4558 32.0742 172.0789 38 D 4.6102 8.1340 117.7810 53.6753 44.4225 173.3596 39 E 4.9388 8.8907 124.0377 55.4745 31.5685 176.5172 40 K 4.3041 8.6103 126.3857 53.3260 35.7854 175.1333 41 W 4.4839 8.8253 127.9731 55.7231 29.6810 177.0547 42 I 4.1997 8.8776 129.5893 59.9707 35.6206 173.5318 43 L 4.2060 8.6407 130.8549 53.7302 41.4902 173.8702 *71 K 4.1399 8.2892 124.0272 55.2817 33.1261 175.6433 72 K 5.0986 7.9743 116.7789 54.7927 36.3539 174.4937 73 V 4.7781 8.4049 118.9942 61.7662 34.8373 174.8064 *75 V 4.0029 8.3294 117.6692 61.9893 33.3223 175.0565 76 T 5.1562 8.3240 118.0140 60.7115 72.4912 172.7099 77 I 5.3555 8.3569 125.2952 59.0441 41.7747 173.6523 78 W 5.5084 9.7321 128.8517 54.9155 32.3231 174.6352 79 W 5.3938 8.6830 120.0211 56.3484 31.7991 172.6067 80 S 4.9188 8.9045 114.0346 56.8135 65.8840 174.7988 81 A 4.1314 8.8700 121.6327 55.1802 18.0349 178.4727 82 A 4.2167 8.0974 116.6783 52.9214 19.1947 177.2803 83 G 4.0440 7.5547 103.0262 42.4493 0.0000 172.1769 84 L 3.8767 6.7313 121.6740 55.8924 42.3389 175.7944 85 I 4.4249 8.4719 125.3374 62.8503 39.2243 175.4046 86 H 4.9537 8.2531 118.5549 55.8003 32.9043 171.7360 87 Y 5.5752 7.9345 120.4361 56.5385 40.9033 173.2569 88 S 4.2850 8.5964 113.9804 57.5943 66.9743 173.5298 89 F 5.1049 8.2614 118.2897 55.4982 38.4354 174.6330 *97 T 4.1390 7.7175 111.0595 60.9100 70.4132 175.9723 98 S 4.1885 8.6012 116.9923 61.6590 62.3304 176.4198 99 E 4.0469 8.3435 123.2635 60.0187 29.2690 179.9650 100 K 4.0284 8.4485 124.0045 59.8101 31.7591 179.9917 101 Y 4.4693 8.3047 120.9353 60.7992 38.7059 178.3300 102 A 3.9863 8.5023 123.9925 55.8974 18.4569 180.1988 103 Q 3.8970 8.0689 119.1254 60.4151 27.9247 180.6376 104 E 3.9858 7.9486 119.6816 59.2015 29.5516 179.1117 105 I 2.7547 7.3438 119.2325 64.0148 37.4392 177.6685 106 D 4.3746 7.7527 121.2187 57.6535 40.9390 179.3788 107 E 3.8244 7.7373 116.0760 58.5639 29.4016 179.9580 *109 N 4.8330 8.1406 120.7150 54.6182 40.5752 176.3527 110 Q 3.9469 7.8066 116.8098 58.9541 28.6638 179.2405 111 K 3.9461 7.7427 119.0274 59.1473 32.1298 179.0533 112 L 3.9270 7.8202 120.1096 58.4813 41.8144 178.7423 113 Q 4.0629 8.1012 118.9271 59.8510 28.6951 179.7421 114 R 4.1298 7.4735 119.9491 61.2744 29.6308 180.6754 115 L 4.3484 7.8326 118.5670 57.9395 42.1276 179.4040 116 Q 4.4079 8.1468 127.0394 54.9490 29.9484 175.6655 *122 R 4.1177 7.8343 115.2694 55.0752 30.6175 175.6053 123 K 4.0411 8.3733 117.9835 56.2985 32.5931 177.5439 124 G 3.6866 8.2279 110.9123 44.5788 0.0000 171.4651 125 P 4.4818 0.0000 0.0000 62.2684 33.3314 174.8980 126 I 4.7673 8.5068 121.1206 59.5040 40.2471 174.3535 127 L 5.0294 9.1270 129.7888 53.6970 44.0076 174.7871 128 L 5.0261 9.1327 129.1294 53.7698 43.6370 174.6127 129 H 5.1544 8.6057 120.9144 53.9385 32.2123 172.5464 130 D 4.6736 8.5050 119.2930 52.6097 40.7861 175.4117 131 N 4.6586 8.3801 113.9394 52.5578 37.7453 174.8413 132 A 3.8008 7.4563 121.6878 53.4714 19.1526 179.4965 133 R 3.8641 8.8081 121.2291 59.3526 30.2302 177.7106 134 P 4.2720 0.0000 0.0000 65.6415 31.0586 178.2059 135 H 4.2099 8.1101 114.5067 57.4160 28.5955 176.4194 136 V 4.3175 7.2846 110.6343 60.5008 32.8290 175.9355 137 A 4.5075 7.4561 122.2098 50.7355 21.1894 178.5143 138 Q 3.9605 8.6074 120.1264 59.0366 28.8273 178.1171 139 P 4.2808 0.0000 0.0000 66.0208 31.4176 178.8393 140 T 3.9595 8.0438 114.3490 66.5717 68.3289 176.7579 141 L 4.1011 8.1442 123.3673 58.6456 41.6086 180.1767 142 Q 4.0291 8.5905 120.8795 60.1279 27.9729 180.5166 143 K 4.1083 8.0161 121.4343 59.4229 32.2704 179.0162 144 L 3.9614 8.0043 119.2934 57.6973 41.5975 179.0137 145 N 4.3461 8.5508 117.4112 56.7479 38.6869 176.7893 146 E 4.0052 8.2354 119.2806 59.2388 29.7015 178.6854 147 L 4.3993 8.0438 116.3300 54.5191 42.0667 177.2054 148 G 3.8021 7.7991 106.4752 46.5579 0.0000 172.8896 149 Y 4.5184 8.0700 117.7981 56.5131 38.8093 175.5652 150 E 4.1731 8.6862 126.3174 56.1487 31.1385 175.3183 151 V 4.7198 8.2213 125.9483 61.2303 33.2088 174.7851 152 L 4.2982 8.7075 130.6932 53.6188 42.8381 174.7983 153 P 4.2971 0.0000 0.0000 63.4388 31.8416 175.3675 154 H 4.8122 8.4485 121.2092 53.7870 32.5981 171.0377 155 P 4.4888 0.0000 0.0000 61.4309 32.1847 174.4426 156 P 4.1489 0.0000 0.0000 64.2318 31.8125 175.2513 157 Y 3.6105 7.9682 115.5219 59.9001 35.6906 170.7064 158 S 5.2506 8.0275 109.6404 55.7243 63.7700 173.7388 159 P 4.5498 0.0000 0.0000 65.0899 31.9207 178.7316 160 D 4.6652 8.4717 118.2940 55.2546 39.2144 177.1450 161 L 4.8103 8.0534 118.3552 54.3243 42.7449 176.3313 162 L 4.5991 8.0975 122.0931 52.6875 43.2414 174.4485 163 P 2.9700 0.0000 0.0000 65.5660 31.2765 178.4773 164 T 3.9983 7.8065 113.8061 66.7524 68.0847 175.8092 165 N 4.3892 7.8045 118.3643 56.9868 39.0427 176.4743 166 Y 4.1488 7.9576 118.0784 59.7073 38.4428 175.5271 167 H 4.7771 8.2382 118.6997 57.8957 31.3420 176.5134 168 V 3.6508 7.1915 118.8781 66.1739 31.6909 178.3516 169 F 4.6533 8.5871 117.9993 60.1709 38.6777 177.6442 170 K 3.9544 7.8231 119.1520 60.1051 32.0178 178.6591 171 H 4.3329 8.3069 116.2681 58.7321 28.5083 177.6572 172 L 2.8580 8.0117 122.3596 57.6845 41.6017 178.5713 173 N 4.3094 8.4565 115.9707 56.3490 38.5220 176.6886 174 N 4.4843 8.1692 117.7317 56.5997 38.5443 177.3467 175 F 4.1059 8.3046 120.4452 60.8212 39.7307 176.4201 176 L 4.4832 8.3873 117.7965 54.5728 41.5193 176.1141 177 Q 4.1830 7.2573 121.3207 55.5312 29.0054 175.7338 178 G 3.8486 8.3063 114.1149 43.8600 0.0000 171.2323 179 K 4.2830 8.6201 127.9198 54.5914 34.5669 177.2141 180 R 4.3642 7.7114 117.3481 54.5217 32.4706 174.6256 181 F 4.9962 8.6199 124.1452 56.1167 40.9466 176.2004 *182 H 4.6450 8.8180 119.2936 56.1896 28.3695 175.7253 183 N 5.1155 7.7478 116.9593 51.7359 41.3098 175.8492 184 Q 3.9652 8.4992 121.2285 60.2058 28.0918 175.2397 185 Q 4.0157 8.0130 120.9583 59.2215 29.0921 178.1428 186 D 4.2643 8.3526 119.6687 57.0193 40.8437 178.2734 187 A 2.5800 7.0369 120.1208 54.8931 18.2728 179.4747 188 E 3.4307 7.8132 116.7622 59.5801 29.4625 179.4217 189 N 4.3708 8.3642 116.5018 56.3012 38.5175 177.3732 190 A 4.2686 8.0505 122.2448 55.0133 18.6004 179.2605 191 F 4.0107 8.4321 119.3241 61.5801 39.1626 177.1647 192 Q 3.9900 8.6444 121.5694 59.7524 28.8563 178.6496 193 E 3.9814 8.1701 119.3360 61.0612 29.5411 180.4656 194 F 3.2597 7.3669 120.5931 61.0280 39.4140 177.6114 195 V 3.1379 7.0066 110.0020 63.2960 31.2668 177.5843 196 E 4.2648 7.2174 117.2742 57.6497 30.0627 176.6281 197 S 4.3979 7.6090 112.2989 58.0524 64.0138 173.5114 198 Q 4.0634 7.0059 117.7041 52.7837 31.5321 175.7285 199 S 4.2742 8.3445 116.5986 58.3919 63.2129 174.5084 200 T 4.1102 8.4229 109.8389 63.7967 68.8949 174.8785 201 D 4.9074 7.9346 120.1281 52.9333 39.7704 177.4392 202 F 4.0051 7.8301 123.1191 62.0203 39.0446 176.8685 203 Y 3.8178 7.7914 115.3977 60.8696 37.8575 177.5197 204 A 4.0679 8.2353 121.2500 55.6359 18.2983 179.2502 205 T 3.8330 7.8893 114.1654 66.9371 68.3429 176.5966 206 G 3.5463 6.9642 105.0267 47.9878 0.0000 175.4201 207 I 3.8549 7.7093 122.2049 64.1469 36.8589 178.4170 208 N 4.3575 8.4771 119.6364 56.6813 38.3491 177.9008 209 Q 3.7833 7.8940 121.6090 59.1126 28.0535 182.5511 210 L 3.4910 7.5747 118.8920 58.4013 41.5045 179.3773 211 I 3.6033 6.5651 119.1927 64.5286 37.1229 178.6645 212 S 4.0851 7.7945 114.3129 61.3588 62.6811 176.6361 213 R 3.7586 7.6355 121.3983 58.8018 29.8342 178.6200 214 W 4.5871 8.1098 119.1994 60.3376 29.0908 178.4460 215 Q 4.0170 8.3923 119.0617 59.0359 28.3932 178.3724 216 K 4.0172 8.1880 119.7426 59.4007 32.0129 178.8202 217 C 4.1276 8.3474 119.1731 62.4765 31.5230 175.8894 218 V 3.0645 7.6903 119.7443 66.0353 30.8813 177.6935 219 D 4.4930 8.2919 117.7468 57.2374 40.8527 177.5937 220 C 4.5650 8.5420 116.0223 58.6725 27.9556 173.5826 221 N 4.2636 9.3519 116.2710 54.3255 36.5160 175.3765 222 G 4.0245 8.7936 105.7837 45.3737 0.0000 174.5823 223 S 4.5411 7.5787 115.6523 57.6813 63.5818 173.5441 224 Y 4.5312 8.0001 121.4901 59.1122 38.2404 177.4041 *225 F 4.4414 8.5407 118.8348 57.0213 39.2235 175.9953 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 4 H 8.44 4.61 0.00 3.22 3.52 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.31 4.25 0.00 1.97 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 2.24 2.31 0.00 6 L 8.17 4.17 0.00 1.48 1.49 -0.01 0.93 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 7 T 8.66 4.22 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 1.15 0.00 0.00 8 E 8.60 3.91 0.00 1.97 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 2.37 2.32 0.00 9 N 8.07 4.34 0.00 2.73 2.87 0.00 0.00 7.17 7.74 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 10 Q 8.11 4.08 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 11 K 8.25 4.44 0.00 1.90 2.02 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.43 7.81 12 N 8.35 4.33 0.00 2.90 2.85 0.00 0.00 6.68 7.29 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 13 R 8.18 3.94 0.00 1.96 1.96 0.00 3.29 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 1.65 1.73 0.00 14 R 8.07 3.95 0.00 2.10 2.01 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 15 F 8.66 3.99 0.00 3.21 3.12 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 16 E 8.71 4.05 0.00 2.25 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 0.00 2.32 2.37 0.00 17 V 7.90 3.48 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 0.95 0.00 0.00 0.92 0.00 0.00 18 S 7.96 3.66 0.00 3.97 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 19 S 7.96 3.88 0.00 3.44 3.93 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 20 S 7.90 4.08 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.70 0.00 0.27 0.13 0.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.34 3.94 2.03 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 1.84 1.09 0.96 0.00 0.00 23 L 7.93 4.00 0.00 1.69 1.73 0.91 0.63 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 24 R 8.38 3.94 0.00 1.92 2.23 0.00 2.85 0.00 0.00 2.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 25 N 8.75 4.45 0.00 2.90 3.01 0.00 0.00 6.91 8.69 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 26 H 8.46 4.21 0.00 3.27 3.50 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.48 4.66 0.00 2.92 2.90 0.00 0.00 6.88 7.49 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 28 E 8.48 4.77 0.00 1.97 1.90 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 2.27 2.31 0.00 29 P 0.00 4.53 0.00 2.03 2.00 0.00 3.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 30 F 9.20 5.07 0.00 3.19 3.24 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 31 L 7.69 3.94 0.00 1.60 1.63 0.69 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.11 4.43 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 33 R 8.10 4.37 0.00 2.12 2.00 0.00 3.15 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 34 I 7.49 4.34 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.84 0.00 0.00 35 V 9.38 4.49 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 1.00 0.00 0.00 1.05 0.00 0.00 36 T 8.67 5.11 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 -0.05 0.00 0.00 37 C 8.00 5.32 0.00 1.80 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 0.00 0.00 0.00 38 D 8.13 4.61 0.00 2.68 2.42 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 39 E 8.89 4.94 0.00 1.78 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 40 K 8.61 4.30 0.00 1.44 1.51 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.28 7.81 41 W 8.83 4.48 0.00 3.15 3.11 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 42 I 8.88 4.20 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 1.09 0.74 0.91 0.00 0.00 43 L 8.64 4.21 0.00 1.66 1.48 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *71 K 8.29 4.14 0.00 1.79 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 72 K 7.97 5.10 0.00 1.71 1.54 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.99 7.81 73 V 8.40 4.78 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 0.76 0.00 0.00 1.01 0.00 0.00 *75 V 8.33 4.00 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 0.55 0.00 0.00 -0.33 0.00 0.00 76 T 8.32 5.16 4.35 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 1.05 0.00 0.00 77 I 8.36 5.36 2.24 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 1.15 0.00 0.00 78 W 9.73 5.51 0.00 3.40 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 79 W 8.68 5.39 0.00 3.41 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 80 S 8.90 4.92 0.00 3.99 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 81 A 8.87 4.13 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 82 A 8.10 4.22 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 83 G 7.55 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 6.73 3.88 0.00 1.17 1.46 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.47 4.42 2.12 0.00 0.00 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 1.15 1.01 0.93 0.00 0.00 86 H 8.25 4.95 0.00 3.10 3.05 0.00 5.88 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.93 5.58 0.00 3.00 2.99 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 88 S 8.60 4.29 0.00 3.86 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 89 F 8.26 5.10 0.00 2.93 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 *97 T 7.72 4.14 4.44 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 1.24 0.00 0.00 98 S 8.60 4.19 0.00 3.94 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 99 E 8.34 4.05 0.00 2.12 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 2.42 2.46 0.00 100 K 8.45 4.03 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 101 Y 8.30 4.47 0.00 3.21 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 0.00 102 A 8.50 3.99 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 0.00 103 Q 8.07 3.90 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 104 E 7.95 3.99 0.00 2.06 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 2.58 2.61 0.00 105 I 7.34 2.75 1.68 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 0.81 -0.07 0.40 0.00 0.00 106 D 7.75 4.37 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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162 L 8.10 4.60 0.00 1.87 1.80 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 2.97 0.00 1.81 1.93 0.00 3.51 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 1.96 2.20 0.00 164 T 7.81 4.00 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 0.48 0.00 0.00 165 N 7.80 4.39 0.00 2.80 3.14 0.00 0.00 6.92 7.56 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 0.00 166 Y 7.96 4.15 0.00 3.11 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 0.00 167 H 8.24 4.78 0.00 3.14 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.19 3.65 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 1.19 0.00 0.00 -0.04 0.00 0.00 169 F 8.59 4.65 0.00 3.25 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 0.00 170 K 7.82 3.95 0.00 1.98 2.12 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 171 H 8.31 4.33 0.00 3.69 3.67 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.01 2.86 0.00 1.22 1.74 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.46 4.31 0.00 2.89 2.89 0.00 0.00 7.08 8.03 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 0.00 174 N 8.17 4.48 0.00 3.13 2.95 0.00 0.00 6.67 8.27 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 0.00 175 F 8.30 4.11 0.00 3.19 2.86 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 0.00 176 L 8.39 4.48 0.00 1.80 1.78 1.04 1.31 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 0.00 177 Q 7.26 4.18 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 178 G 8.31 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 0.00 0.00 0.00 179 K 8.62 4.28 0.00 1.05 1.07 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.55 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 1.26 7.81 180 R 7.71 4.36 0.00 1.76 1.65 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 181 F 8.62 5.00 0.00 3.06 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 *182 H 8.82 4.64 0.00 2.92 2.97 0.00 7.20 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 N 7.75 5.12 0.00 2.93 2.94 0.00 0.00 6.42 7.34 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 0.00 184 Q 8.50 3.97 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 185 Q 8.01 4.02 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 186 D 8.35 4.26 0.00 2.80 2.84 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 0.00 187 A 7.04 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.81 3.43 0.00 1.86 1.47 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 1.47 2.01 0.00 189 N 8.36 4.37 0.00 2.92 2.91 0.00 0.00 6.96 7.32 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 0.00 190 A 8.05 4.27 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 0.00 191 F 8.43 4.01 0.00 3.27 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 0.00 192 Q 8.64 3.99 0.00 2.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 193 E 8.17 3.98 0.00 2.03 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 2.25 2.19 0.00 194 F 7.37 3.26 0.00 1.51 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 0.00 195 V 7.01 3.14 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 0.06 0.00 0.00 0.66 0.00 0.00 196 E 7.22 4.26 0.00 2.05 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 0.00 2.28 2.27 0.00 197 S 7.61 4.40 0.00 3.83 3.59 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 0.00 0.00 0.00 198 Q 7.01 4.06 0.00 1.34 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 199 S 8.34 4.27 0.00 3.96 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 0.00 200 T 8.42 4.11 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 1.24 0.00 0.00 201 D 7.93 4.91 0.00 2.83 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 0.00 202 F 7.83 4.01 0.00 2.83 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 0.00 203 Y 7.79 3.82 0.00 3.19 3.48 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 0.00 0.00 0.00 0.00 204 A 8.24 4.07 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 0.00 205 T 7.89 3.83 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 1.07 0.00 0.00 206 G 6.96 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 0.00 0.00 0.00 207 I 7.71 3.85 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.17 0.87 0.00 0.00 208 N 8.48 4.36 0.00 2.70 2.80 0.00 0.00 7.20 7.33 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 0.00 209 Q 7.89 3.78 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 210 L 7.57 3.49 0.00 1.09 0.13 0.89 0.55 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 0.00 211 I 6.57 3.60 1.77 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 1.40 0.82 0.96 0.00 0.00 212 S 7.79 4.09 0.00 3.97 4.04 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 0.00 0.00 0.00 213 R 7.64 3.76 0.00 1.65 1.81 0.00 2.21 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 214 W 8.11 4.59 0.00 3.50 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 0.00 215 Q 8.39 4.02 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 216 K 8.19 4.02 0.00 1.99 1.85 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 217 C 8.35 4.13 0.00 3.06 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 0.00 218 V 7.69 3.06 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 0.68 0.00 0.00 0.53 0.00 0.00 219 D 8.29 4.49 0.00 2.88 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 0.00 220 C 8.54 4.56 0.00 3.09 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 0.00 221 N 9.35 4.26 0.00 2.90 2.87 0.00 0.00 7.09 7.16 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 0.00 222 G 8.79 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 0.00 223 S 7.58 4.54 0.00 3.97 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 0.00 224 Y 8.00 4.53 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 *225 F 8.54 4.44 0.00 2.24 1.97 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 * Residues marked with a * may have inaccurate shift predictions.