NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3767 8.3344 115.2887 57.6998 65.1153 174.2554 -1 N 4.0805 8.1789 117.7554 56.4578 39.0812 176.0168 0 A 4.8979 8.7095 117.3068 53.1720 19.3445 177.8717 0 D 5.2179 8.8095 113.9068 54.8720 41.3445 176.3717 3 N 4.2861 8.3385 116.4736 56.0336 38.3811 177.3485 4 K 3.9957 8.2326 120.3101 59.6233 32.0977 178.1688 5 A 4.0470 8.1945 120.4522 55.6198 18.0872 179.5058 6 L 4.0344 7.8081 116.7809 57.8243 41.7670 179.4271 7 L 4.0507 7.8812 120.0848 58.1591 41.7923 179.1090 8 S 4.1543 7.5403 114.1367 61.0506 62.8613 174.7030 9 H 4.8931 7.9862 114.8708 55.2022 29.1170 174.1600 10 V 4.6095 7.3626 112.0979 59.5551 34.5102 176.0712 11 D 4.6933 8.6229 122.5355 54.8441 40.3826 176.4679 12 I 4.4527 7.6651 120.1604 59.3609 39.0444 174.3870 13 N 4.3837 8.4166 125.4222 54.4576 37.4470 175.3149 14 N 4.9825 7.6094 116.4138 52.0054 41.1092 175.0393 15 V 4.4204 8.5555 120.9465 61.1633 34.3564 174.3264 16 V 4.5274 9.2457 128.4639 61.1697 33.8287 173.5214 17 C 4.8235 8.3608 128.7784 57.4368 33.5572 172.8272 18 A 4.9364 7.8886 127.4069 49.9759 20.0283 174.4284 *20 P 4.1114 0.0000 0.0000 61.5716 32.5465 176.7586 21 L 3.6277 7.8201 119.8024 54.4243 42.2907 176.7568 22 P 4.3505 0.0000 0.0000 62.0951 30.2067 175.7001 23 Y 4.9524 7.6819 112.7496 58.8857 38.9863 176.6022 24 T 4.7023 7.5151 110.7100 59.1415 73.0825 174.5127 25 R 4.0284 8.4658 121.9844 59.5844 30.0880 178.5412 26 L 3.8939 7.7750 119.5954 58.4459 42.0970 178.4325 27 Y 4.3589 7.7699 116.5216 61.1518 37.7581 178.4659 28 E 3.6815 8.4556 119.7005 59.3307 29.6201 179.7413 29 G 3.6993 8.3564 105.8996 47.4933 0.0000 175.5731 30 L 3.9511 8.1212 122.4601 57.9140 42.2098 178.8517 31 A 3.8266 8.1660 122.4050 54.5916 18.2185 179.6105 32 S 4.6110 8.2676 113.3901 61.0531 62.3187 176.5834 33 G 3.3351 8.2607 107.7026 47.5048 0.0000 175.2106 34 L 4.1460 8.2281 123.0225 57.8399 42.1426 178.8822 35 K 3.1436 8.1905 119.3652 59.3078 31.6818 178.4302 36 A 3.9987 8.0593 120.9363 55.2116 18.0028 179.2632 37 Q 4.0227 7.8369 115.0241 57.6311 28.9781 176.9178 38 F 4.3484 7.9014 118.7992 56.7697 39.2292 174.8293 39 D 4.4491 7.3279 120.4955 56.6953 40.7384 177.4177 40 G 4.0230 9.5509 112.0389 45.0561 0.0000 172.7773 41 I 4.5435 7.5823 119.7943 58.3691 40.4147 173.1633 42 P 4.2262 0.0000 0.0000 62.9197 32.1570 175.0029 43 F 4.8711 8.0179 126.6107 56.3990 42.2329 173.5011 44 Y 4.7306 7.7176 122.0805 56.4813 42.3789 173.6247 45 Y 4.8781 8.5787 119.5459 56.7379 40.6094 174.2790 46 A 4.6608 8.6443 125.8771 50.7922 20.7689 175.8430 47 H 4.7120 8.6053 119.4625 54.7138 30.9054 175.1165 *49 R 3.7883 8.3678 119.7740 57.3664 30.8700 175.4475 50 G 3.8809 8.9185 112.2374 46.2006 0.0000 173.6330 51 A 4.0589 8.9631 127.8117 55.1902 18.2852 178.6972 52 D 4.3077 8.2375 116.7021 57.7926 41.0277 178.9062 53 I 3.6826 7.7293 118.3789 63.9603 38.0615 177.8343 54 R 3.9803 7.7507 119.2397 59.3468 29.9047 179.2359 55 V 3.4378 7.6875 117.9020 65.6707 31.3594 177.5483 56 E 3.8472 8.2594 119.3211 59.6394 29.3952 178.5981 57 C 4.0176 8.6570 116.9208 62.6689 28.1507 175.9699 58 L 3.9926 8.1142 121.8249 58.2461 41.5207 179.0126 59 L 3.9960 8.0762 118.0625 57.7721 41.6563 178.6590 60 N 4.5797 8.1319 114.1188 53.9649 38.6212 176.0399 61 G 3.9081 7.6840 109.1300 45.2216 0.0000 174.8813 62 V 3.4450 7.8025 120.8621 64.8618 31.5878 175.8704 63 Y 4.9694 7.2441 114.4691 56.1396 40.6827 175.4277 64 D 4.3571 8.3529 120.4576 56.0796 41.5141 176.6983 *66 A 4.1975 7.6774 121.1318 51.6495 20.2955 175.4870 67 V 4.6693 8.7666 122.5535 61.2582 32.6968 175.5316 68 V 4.7790 8.1113 119.4862 58.8201 36.9588 174.5535 69 S 4.3071 8.3499 115.4818 57.8849 63.8086 175.2445 70 R 3.8248 8.7912 122.4906 59.4434 29.5654 178.7980 71 L 3.8191 7.8097 119.3258 58.1160 42.2453 178.4587 72 A 3.6504 7.8040 120.1843 55.1874 18.2697 179.4946 73 A 4.2079 7.9604 119.0657 55.3695 18.2161 179.6909 74 E 3.9180 8.1462 116.4415 59.5552 29.7781 179.5900 75 S 4.1765 7.6636 115.2436 61.7660 62.9320 175.9734 76 Y 4.4177 7.8388 119.8058 61.5301 37.4930 179.1310 77 L 4.2805 8.0029 118.0572 57.3824 41.6991 179.3164 78 S 4.3017 7.9499 113.7782 60.5769 63.1692 174.9741 79 Q 4.4844 7.9994 119.7971 56.3059 29.9142 175.2680 80 N 4.9932 7.6983 112.6450 51.2229 42.5863 173.9516 81 N 4.6999 8.6029 118.1788 53.1741 38.4793 174.3326 82 L 4.8516 8.2702 122.3164 53.1729 46.8831 175.2143 83 C 4.7837 8.8594 120.4928 57.6791 34.4164 173.0513 84 I 4.0878 8.5483 127.0067 61.0207 36.2026 175.2966 85 A 4.4521 9.1360 130.3881 53.1173 19.9528 177.0299 86 L 4.6297 7.6606 116.8153 53.8833 45.8101 174.1911 87 E 5.0390 8.8005 124.5384 54.7638 32.4438 175.5199 88 L 4.4475 8.9084 122.8409 54.1232 43.0228 177.8374 89 G 4.0345 8.8483 105.2506 44.1073 0.0000 171.3185 90 P 4.2866 0.0000 0.0000 64.2663 31.5684 175.7713 91 H 4.1929 8.4998 115.9336 57.2472 26.3140 175.8849 92 T 4.5973 8.0267 108.1414 61.8308 69.7321 173.2571 93 Y 4.8246 8.3798 121.1710 58.7517 40.7310 175.4017 94 V 4.0655 7.3631 109.4498 59.1745 35.8917 174.8530 95 G 3.7550 7.9674 110.4579 44.7363 0.0000 173.1902 96 E 4.1641 8.3700 118.2398 56.9536 30.5699 176.2524 97 H 5.2035 8.5969 118.1642 54.5528 31.7582 173.5216 98 Q 4.5016 9.1503 118.3361 54.2476 34.1015 173.9446 99 L 4.4873 9.0022 123.6391 54.2978 43.2614 175.1588 100 I 5.0391 8.6405 128.7063 60.0534 39.3277 175.0250 101 C 5.1695 8.7466 120.6860 56.2611 33.9527 173.3726 102 R 4.4419 8.5296 117.2280 55.5425 31.0692 176.4957 103 K 3.8621 8.6411 123.6875 58.2290 32.2061 176.7421 104 G 3.9462 9.7549 114.1485 46.4461 0.0000 173.1756 105 E 4.6612 8.1550 117.5289 55.7620 29.7964 178.2766 106 S 4.1822 8.2039 116.1952 61.1159 63.0559 175.3340 107 G 3.8933 8.0713 107.5382 46.3051 0.0000 173.0760 108 N 4.9716 8.1009 118.8105 53.0050 39.4973 173.8794 109 V 4.1511 7.9939 116.1800 61.6790 32.7243 175.2755 110 K 4.5621 8.8460 123.5775 56.3223 35.9628 176.1661 111 R 5.0573 8.9946 118.8763 54.1947 33.7096 175.3084 112 V 4.7378 8.9484 116.7682 59.2352 34.6622 175.5813 113 G 3.9461 9.0189 113.6501 45.8112 0.0000 173.1705 114 L 4.5814 8.3566 123.9313 54.0162 45.6331 173.7220 115 D 4.8707 9.5927 127.8396 53.3243 41.6444 177.2661 116 S 4.2340 8.9141 123.2111 61.5221 63.0259 175.7652 117 R 4.0427 8.2896 117.9887 57.6291 30.2581 176.9972 118 S 4.6098 7.9892 112.9424 56.5708 62.4242 173.8873 119 A 4.0746 8.5369 132.0662 55.3491 18.0610 178.7164 120 D 4.3086 8.0764 115.6980 57.5753 41.1489 178.1457 121 Q 4.2306 8.0017 118.9120 59.1346 29.1870 178.4890 122 K 4.2566 8.0061 119.0596 59.5273 32.0915 179.7894 123 I 3.9140 7.3132 115.4544 63.0382 37.1016 177.9069 *125 T 4.6425 8.0021 119.0235 64.0419 70.2365 175.9939 126 D 4.4834 8.5256 121.1457 57.5613 41.1557 179.0956 127 V 3.6079 8.2395 117.9160 66.0195 31.7208 177.0293 128 F 4.3213 8.5489 119.9703 61.3612 39.4779 175.6725 129 F 4.5037 8.7303 117.2171 56.7900 39.8161 176.8621 130 G 3.8172 7.4093 110.6587 47.2125 0.0000 173.8084 131 D 4.7270 8.5400 116.4847 54.5226 41.7166 175.9485 132 S 4.7623 7.7057 112.0807 56.2932 63.9479 174.7220 133 D 4.7215 8.4928 127.3777 54.3635 37.9092 174.0271 134 V 4.4984 7.4792 119.6752 60.5865 34.4237 174.5341 135 E 4.2021 9.2285 128.5065 56.3415 30.6483 175.8965 136 R 4.7865 8.5032 123.5058 54.9557 31.9291 175.7822 137 V 4.2826 8.6299 124.4530 60.7731 34.2438 174.0079 138 D 4.7767 8.7954 127.6953 54.5279 41.0616 174.9744 139 L 5.1433 8.7619 125.3858 52.0455 46.1656 176.8048 140 S 4.3147 8.9235 117.0953 57.5866 63.7873 174.2899 141 Y 3.6663 8.4544 124.4273 61.5686 38.0452 177.6995 142 H 3.9871 8.2080 117.4322 60.0859 29.3567 176.4487 143 E 3.8545 8.2099 119.4564 59.2758 28.8723 179.6636 144 S 3.9959 8.5149 116.1263 61.3810 62.9333 176.0058 145 L 3.7294 8.1841 123.8225 58.6232 41.6661 179.1166 146 Q 3.8681 8.0392 117.8522 59.0346 28.6348 179.0547 147 R 4.0289 8.1805 119.9205 58.9319 29.8844 178.5130 148 I 4.4305 8.3638 121.5776 63.8276 37.2084 178.0203 149 V 3.6917 8.0048 117.8593 65.9323 31.3993 177.3156 150 K 3.9821 7.8906 118.3402 60.7395 32.1175 176.8712 151 G 3.8987 8.0736 103.4316 45.6333 0.0000 174.7703 152 D 4.3861 8.2238 119.9553 56.7612 41.4568 176.6702 153 V 4.2920 7.4661 118.1613 61.4911 33.4559 175.4700 154 D 4.7799 8.7058 125.0903 55.7533 42.6965 175.9778 155 A 5.5709 7.9327 117.6415 52.1532 22.8483 175.4919 156 V 4.8046 8.1147 117.5622 60.4565 35.1182 173.5688 157 I 4.6870 8.5239 124.5809 60.4939 38.0998 174.7454 158 W 5.6001 9.1143 135.0000 55.7776 34.9926 173.1426 159 N 4.3351 6.4465 119.4601 53.0893 38.1641 175.8521 160 V 3.5577 7.6971 122.0888 61.8899 32.6157 175.8876 *162 A 4.0056 8.4114 123.7557 52.6221 19.3233 177.6630 163 E 3.7651 8.3092 124.2892 59.6135 30.6358 178.6958 164 N 4.4864 8.0326 116.3898 55.9306 39.5991 175.7083 165 E 4.1472 8.3530 115.7997 59.6037 30.0606 178.5163 166 L 4.1800 8.1533 117.9862 58.4113 41.9319 180.9287 167 T 4.0048 7.3605 113.6646 64.0224 67.9621 175.6324 *169 L 4.1542 8.0160 119.6890 53.7077 43.4508 177.4632 170 G 3.8317 8.1117 107.2573 46.2357 0.0000 173.4221 171 L 5.2640 8.1333 119.5282 52.8633 44.2990 175.5883 172 E 4.8481 9.4459 117.1446 54.7329 33.4354 174.1410 173 A 5.2034 8.6405 122.7719 50.6628 21.3045 175.6179 174 T 4.4794 8.9959 120.6067 61.1283 70.4494 173.0357 175 P 4.5297 0.0000 0.0000 62.6970 32.2924 175.9026 176 L 4.0468 8.0706 122.4744 53.5254 42.4885 177.6496 177 T 4.0485 8.2004 113.7395 62.7797 66.8330 173.4428 178 D 5.2123 8.7232 132.8500 55.2735 39.5431 174.8262 179 D 4.3811 9.1305 119.0353 54.2134 41.4891 175.6344 180 P 4.3109 0.0000 0.0000 66.0582 30.7562 178.7528 181 R 3.8283 8.0264 117.3579 58.9445 29.9550 178.4935 182 F 4.4452 7.5281 118.0115 60.5023 38.8832 177.5910 183 L 4.1117 8.0040 118.1128 57.5269 41.5440 179.1313 184 Q 4.0348 7.8814 118.0994 58.7465 28.3178 178.6458 185 A 4.1592 7.5788 121.4138 54.7055 18.6818 178.7335 186 T 4.4028 7.9492 106.7104 61.2988 69.3753 173.4117 187 E 5.2362 7.8693 124.0726 54.0910 31.4482 174.7162 188 A 4.1243 8.7707 129.5847 51.7826 19.8527 176.5875 189 V 4.8316 8.5731 114.4388 59.5405 36.9044 174.5193 190 V 4.6837 8.5467 121.6961 61.2627 33.8691 174.3535 191 L 5.7632 9.0440 127.8465 52.7042 43.9613 175.6445 192 T 4.7978 8.1047 110.6630 59.4235 73.1883 173.2737 193 R 4.1680 8.5494 120.6281 56.3275 30.5904 178.6659 194 V 3.5807 8.3708 121.0097 64.1086 31.5362 176.5920 195 D 4.0624 7.7616 117.4238 52.7845 39.7743 176.9158 196 D 4.5727 7.1996 121.4262 53.1345 39.7132 175.3827 197 Y 4.4020 7.4257 121.6071 60.6750 38.7877 177.4480 198 P 4.2621 0.0000 0.0000 64.0665 32.0100 177.7208 *200 Q 4.3082 8.1889 118.9725 56.2599 30.6273 177.7630 201 Q 4.1027 8.4447 117.0151 58.4590 28.5102 178.5538 202 L 3.9466 8.0155 121.7142 58.0771 42.2033 178.8185 203 L 4.0032 8.0300 118.4448 58.0850 41.4106 179.5862 204 R 3.9231 7.9141 116.3056 59.0779 30.0292 178.8307 205 A 4.0749 7.6696 119.5393 55.4135 18.5668 179.8171 206 V 3.5831 7.6337 109.6913 62.7569 31.9832 177.4177 207 V 3.6073 7.1080 118.4688 62.1509 32.0746 175.1422 208 D 4.7306 8.8155 126.6578 52.1762 42.2131 176.5148 209 K 3.8348 8.5600 128.4822 60.0721 32.2210 177.6652 210 H 4.0601 8.3078 117.4998 59.1953 29.6913 176.7171 211 A 3.9562 8.0399 122.4553 55.0769 18.1645 179.1460 212 L 3.8684 8.1098 119.0111 58.5031 42.0714 179.2183 213 L 3.9662 8.2038 118.7370 57.7816 41.5259 179.4778 214 A 3.9236 8.3374 121.1413 55.2227 18.3211 179.0876 215 H 4.0279 8.4375 116.9465 59.4084 29.9679 176.9221 216 Q 4.0815 8.3626 121.6081 59.5933 28.8076 178.4994 217 Q 4.0204 8.2448 118.8138 59.4186 28.8132 179.5827 218 R 3.9593 8.1781 118.7135 58.9892 29.9911 179.3832 219 V 4.1833 7.8765 119.7354 65.5140 31.3432 178.3655 220 V 3.6531 7.7705 117.7419 65.6079 31.4919 176.8694 221 S 4.2262 8.1469 112.5983 58.7453 63.2187 175.1731 222 G 3.9404 7.8372 109.1511 45.5140 0.0000 174.1910 223 E 4.0516 8.0702 120.6469 58.3044 30.2300 176.7316 224 Q 4.5519 8.0952 118.4778 54.0362 32.2487 173.7344 225 E 4.5968 8.5403 123.4007 54.9953 30.7544 174.7657 226 P 4.6080 0.0000 0.0000 62.4432 32.0273 176.4804 227 S 4.3716 9.0476 115.1540 57.1260 64.1624 173.7799 228 Y 4.6294 7.6204 125.0883 57.4888 37.5109 174.6882 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 S 8.33 4.38 0.00 3.84 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 0.00 -1 N 8.18 4.08 0.00 2.82 2.80 0.00 0.00 6.82 6.81 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 A 8.71 4.90 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 0 D 8.81 5.22 0.00 2.53 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 3 N 8.34 4.29 0.00 2.85 2.81 0.00 0.00 6.65 6.50 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 4 K 8.23 4.00 0.00 1.95 1.81 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5 A 8.19 4.05 1.41 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 0.00 0.00 6 L 7.81 4.03 0.00 1.93 1.75 0.88 0.28 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 7 L 7.88 4.05 0.00 1.77 1.84 1.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.54 4.15 0.00 3.78 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 9 H 7.99 4.89 0.00 3.13 3.31 0.00 5.79 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.36 4.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.06 0.00 0.00 11 D 8.62 4.69 0.00 2.69 2.70 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 0.00 0.00 0.00 12 I 7.67 4.45 1.92 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 1.51 0.63 1.01 0.00 0.00 13 N 8.42 4.38 0.00 2.84 2.75 0.00 0.00 6.31 8.04 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 14 N 7.61 4.98 0.00 2.64 2.97 0.00 0.00 6.90 7.59 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 15 V 8.56 4.42 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 0.71 0.00 0.00 1.04 0.00 0.00 16 V 9.25 4.53 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 0.94 0.00 0.00 0.93 0.00 0.00 17 C 8.36 4.82 0.00 2.48 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 0.00 0.00 0.00 18 A 7.89 4.94 0.43 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 *20 P 0.00 4.11 0.00 0.92 1.66 0.00 3.29 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.95 0.00 21 L 7.82 3.63 0.00 0.91 0.13 0.81 0.86 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 22 P 0.00 4.35 0.00 1.86 1.51 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.79 0.00 23 Y 7.68 4.95 0.00 3.04 2.95 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 24 T 7.52 4.70 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 0.96 0.00 0.00 25 R 8.47 4.03 0.00 1.93 1.95 0.00 3.46 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 26 L 7.78 3.89 0.00 1.66 1.41 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.77 4.36 0.00 3.06 2.64 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 0.00 0.00 0.00 28 E 8.46 3.68 0.00 2.23 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 0.00 2.33 2.49 0.00 29 G 8.36 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.12 3.95 0.00 1.88 1.96 1.01 0.99 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 31 A 8.17 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.27 4.61 0.00 4.20 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 33 G 8.26 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 0.00 0.00 0.00 34 L 8.23 4.15 0.00 1.88 1.98 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.19 3.14 0.00 2.12 1.94 0.00 1.94 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 36 A 8.06 4.00 1.37 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 0.00 0.00 37 Q 7.84 4.02 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.15 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 38 F 7.90 4.35 0.00 2.62 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 39 D 7.33 4.45 0.00 2.64 2.64 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 0.00 0.00 0.00 40 G 9.55 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.96 4.06 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 52 D 8.24 4.31 0.00 2.85 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 53 I 7.73 3.68 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.26 0.99 0.00 0.00 54 R 7.75 3.98 0.00 1.96 1.89 0.00 3.03 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 55 V 7.69 3.44 1.51 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 0.59 0.00 0.00 0.39 0.00 0.00 56 E 8.26 3.85 0.00 2.20 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 2.33 0.00 57 C 8.66 4.02 0.00 3.37 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 58 L 8.11 3.99 0.00 1.90 1.91 1.00 0.47 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 59 L 8.08 4.00 0.00 1.72 1.68 0.90 1.00 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 60 N 8.13 4.58 0.00 2.74 2.80 0.00 0.00 7.28 7.67 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 61 G 7.68 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 0.00 0.00 0.00 62 V 7.80 3.45 1.63 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 -0.39 0.00 0.00 0.71 0.00 0.00 63 Y 7.24 4.97 0.00 2.95 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 64 D 8.35 4.36 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 A 7.68 4.20 1.21 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 0.00 0.00 67 V 8.77 4.67 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 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4.42 0.00 3.10 2.95 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 77 L 8.00 4.28 0.00 1.88 1.76 1.00 0.82 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 78 S 7.95 4.30 0.00 4.05 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 79 Q 8.00 4.48 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 80 N 7.70 4.99 0.00 2.67 2.65 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.60 4.70 0.00 2.60 2.79 0.00 0.00 6.72 7.85 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 82 L 8.27 4.85 0.00 1.49 1.52 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.86 4.78 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.55 4.09 1.88 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 1.29 0.67 0.95 0.00 0.00 85 A 9.14 4.45 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 86 L 7.66 4.63 0.00 1.74 1.49 0.98 0.94 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 87 E 8.80 5.04 0.00 1.84 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 2.18 2.30 0.00 88 L 8.91 4.45 0.00 1.69 1.71 0.97 1.02 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 89 G 8.85 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.29 0.00 1.93 1.98 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 91 H 8.50 4.19 0.00 3.39 3.47 0.00 5.63 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.03 4.60 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 93 Y 8.38 4.82 0.00 2.99 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 94 V 7.36 4.07 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 0.29 0.00 0.00 1.00 0.00 0.00 95 G 7.97 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 0.00 0.00 0.00 96 E 8.37 4.16 0.00 1.82 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 2.38 2.26 0.00 97 H 8.60 5.20 0.00 2.95 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 9.15 4.50 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 99 L 9.00 4.49 0.00 1.12 1.36 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.64 5.04 2.05 0.00 0.00 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 1.44 0.51 1.03 0.00 0.00 101 C 8.75 5.17 0.00 3.08 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 0.00 102 R 8.53 4.44 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 103 K 8.64 3.86 0.00 1.86 1.78 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.57 7.81 104 G 9.75 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 0.00 105 E 8.15 4.66 0.00 2.20 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 2.25 2.37 0.00 106 S 8.20 4.18 0.00 4.07 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 0.00 107 G 8.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.10 4.97 0.00 2.67 2.78 0.00 0.00 7.04 7.96 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 0.00 109 V 7.99 4.15 2.31 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 0.84 0.00 0.00 1.14 0.00 0.00 110 K 8.85 4.56 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 111 R 8.99 5.06 0.00 1.63 1.73 0.00 3.17 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 112 V 8.95 4.74 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 0.00 0.00 0.80 0.00 0.00 113 G 9.02 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 0.00 114 L 8.36 4.58 0.00 1.74 1.49 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 D 9.59 4.87 0.00 2.67 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 0.00 116 S 8.91 4.23 0.00 3.91 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 0.00 117 R 8.29 4.04 0.00 1.87 2.04 0.00 3.19 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 118 S 7.99 4.61 0.00 4.05 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 0.00 119 A 8.54 4.07 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 0.00 120 D 8.08 4.31 0.00 2.78 2.80 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 0.00 121 Q 8.00 4.23 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 122 K 8.01 4.26 0.00 2.02 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.74 7.81 123 I 7.31 3.91 1.98 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.84 0.00 0.00 *125 T 8.00 4.64 4.55 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 1.45 0.00 0.00 126 D 8.53 4.48 0.00 2.92 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 0.00 127 V 8.24 3.61 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 0.40 0.00 0.00 0.85 0.00 0.00 128 F 8.55 4.32 0.00 3.13 2.88 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 0.00 129 F 8.73 4.50 0.00 3.41 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 0.00 130 G 7.41 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 0.00 131 D 8.54 4.73 0.00 2.65 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 0.00 132 S 7.71 4.76 0.00 3.94 4.01 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 0.00 133 D 8.49 4.72 0.00 2.72 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 0.00 134 V 7.48 4.50 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 0.42 0.00 0.00 0.92 0.00 0.00 135 E 9.23 4.20 0.00 1.88 1.82 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 2.30 2.26 0.00 136 R 8.50 4.79 0.00 1.66 1.85 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 137 V 8.63 4.28 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 0.91 0.00 0.00 0.89 0.00 0.00 138 D 8.80 4.78 0.00 2.73 2.60 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 0.00 139 L 8.76 5.14 0.00 1.45 1.41 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.92 4.31 0.00 3.95 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 0.00 141 Y 8.45 3.67 0.00 1.43 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 0.00 142 H 8.21 3.99 0.00 3.23 3.21 0.00 5.92 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 0.00 143 E 8.21 3.85 0.00 2.14 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 2.32 2.36 0.00 144 S 8.51 4.00 0.00 3.77 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 0.00 145 L 8.18 3.73 0.00 0.57 1.30 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.04 3.87 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 147 R 8.18 4.03 0.00 1.98 1.93 0.00 3.10 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 148 I 8.36 4.43 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.33 0.91 0.00 0.00 149 V 8.00 3.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 150 K 7.89 3.98 0.00 1.78 1.98 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.46 7.81 151 G 8.07 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 0.00 0.00 0.00 152 D 8.22 4.39 0.00 2.63 2.70 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 0.00 0.00 0.00 153 V 7.47 4.29 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 1.02 0.00 0.00 0.89 0.00 0.00 154 D 8.71 4.78 0.00 2.76 2.70 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 0.00 0.00 0.00 155 A 7.93 5.57 1.35 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 0.00 0.00 0.00 156 V 8.11 4.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 157 I 8.52 4.69 1.99 0.00 0.00 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 0.95 0.57 0.94 0.00 0.00 158 W 9.11 5.60 0.00 3.26 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 0.00 159 N 6.45 4.34 0.00 1.61 2.19 0.00 0.00 6.89 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.70 3.56 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 0.51 0.00 0.00 0.89 0.00 0.00 *162 A 8.41 4.01 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 0.00 163 E 8.31 3.77 0.00 2.01 1.94 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 2.38 2.35 0.00 164 N 8.03 4.49 0.00 2.75 2.81 0.00 0.00 7.24 7.66 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 0.00 165 E 8.35 4.15 0.00 2.01 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 2.35 2.43 0.00 166 L 8.15 4.18 0.00 1.91 1.74 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.36 4.00 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 1.22 0.00 0.00 *169 L 8.02 4.15 0.00 1.79 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.11 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 0.00 0.00 0.00 171 L 8.13 5.26 0.00 1.59 1.75 0.95 0.81 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 0.00 172 E 9.45 4.85 0.00 1.93 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 2.31 2.27 0.00 173 A 8.64 5.20 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 0.00 174 T 9.00 4.48 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 175 P 0.00 4.53 0.00 1.89 1.94 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 176 L 8.07 4.05 0.00 1.04 0.21 0.49 -0.02 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 0.00 177 T 8.20 4.05 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 1.30 0.00 0.00 178 D 8.72 5.21 0.00 2.96 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 0.00 179 D 9.13 4.38 0.00 2.72 2.43 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 0.00 180 P 0.00 4.31 0.00 2.26 2.30 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 181 R 8.03 3.83 0.00 1.35 1.75 0.00 3.15 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 182 F 7.53 4.45 0.00 3.06 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 0.00 183 L 8.00 4.11 0.00 1.87 1.71 0.93 1.00 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 0.00 184 Q 7.88 4.03 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 185 A 7.58 4.16 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 0.00 186 T 7.95 4.40 4.42 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 1.37 0.00 0.00 187 E 7.87 5.24 0.00 2.08 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 2.19 2.24 0.00 188 A 8.77 4.12 1.32 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 0.00 0.00 0.00 189 V 8.57 4.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 190 V 8.55 4.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 191 L 9.04 5.76 0.00 1.52 1.54 0.96 0.99 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 0.00 192 T 8.10 4.80 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 1.29 0.00 0.00 193 R 8.55 4.17 0.00 1.83 1.84 0.00 3.09 0.00 0.00 3.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 194 V 8.37 3.58 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 0.69 0.00 0.00 0.94 0.00 0.00 195 D 7.76 4.06 0.00 2.60 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 0.00 196 D 7.20 4.57 0.00 2.60 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 0.00 197 Y 7.43 4.40 0.00 3.10 2.95 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 0.00 198 P 0.00 4.26 0.00 2.22 2.14 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 *200 Q 8.19 4.31 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 201 Q 8.44 4.10 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 202 L 8.02 3.95 0.00 2.02 1.78 0.95 0.82 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 0.00 203 L 8.03 4.00 0.00 2.02 1.78 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 204 R 7.91 3.92 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 205 A 7.67 4.07 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 0.00 206 V 7.63 3.58 1.76 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 0.54 0.00 0.00 -0.09 0.00 0.00 207 V 7.11 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 208 D 8.82 4.73 0.00 2.71 2.50 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 0.00 209 K 8.56 3.83 0.00 1.87 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.53 7.81 210 H 8.31 4.06 0.00 3.23 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 A 8.04 3.96 1.41 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 0.00 0.00 212 L 8.11 3.87 0.00 1.82 1.89 0.96 1.00 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 0.00 213 L 8.20 3.97 0.00 1.90 1.67 0.94 1.06 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 0.00 214 A 8.34 3.92 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 0.00 215 H 8.44 4.03 0.00 3.29 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 Q 8.36 4.08 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 217 Q 8.24 4.02 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 218 R 8.18 3.96 0.00 1.96 1.95 0.00 3.23 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 219 V 7.88 4.18 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 1.46 0.00 0.00 1.03 0.00 0.00 220 V 7.77 3.65 2.08 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 0.82 0.00 0.00 0.96 0.00 0.00 221 S 8.15 4.23 0.00 4.02 3.96 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 0.00 222 G 7.84 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 0.00 0.00 0.00 223 E 8.07 4.05 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 224 Q 8.10 4.55 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.69 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 225 E 8.54 4.60 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 226 P 0.00 4.61 0.00 2.39 2.24 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 227 S 9.05 4.37 0.00 3.82 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 0.00 228 Y 7.62 4.63 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 * Residues marked with a * may have inaccurate shift predictions.