NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6021 8.3644 120.2036 54.1335 42.5311 175.0614 7 Y 4.2746 7.8971 119.4461 54.8781 40.1841 172.2331 8 Y 4.2805 7.1848 124.1184 55.3745 42.1926 174.2892 9 D 4.1751 8.6428 121.5923 56.9939 41.3552 176.4310 10 Y 5.0120 7.7554 113.9923 55.9462 42.7765 173.8546 11 L 4.8923 8.7117 122.5887 53.4411 44.6349 175.3851 12 F 5.2588 8.6706 125.7599 55.6608 41.3526 174.8399 13 K 4.9195 8.8485 126.1947 56.1572 33.5391 175.3741 14 I 5.1210 9.1249 128.0607 59.6379 40.6731 174.7500 15 V 4.6965 8.5107 119.5792 59.5610 34.3531 174.7012 16 L 5.1057 8.8398 125.3191 53.7380 42.8662 176.1893 17 I 4.3592 9.3278 115.9763 58.8507 41.4691 174.5973 18 G 3.9102 7.0248 109.8826 43.4500 0.0000 172.3382 19 D 4.7191 8.1428 119.8269 54.1256 41.3682 176.6717 20 S 4.0790 8.4960 116.8732 59.9311 62.8367 174.7016 21 G 4.0248 8.8877 114.4943 45.5334 0.0000 174.6210 22 V 3.7438 7.1577 111.6153 62.3478 32.0166 176.8935 23 G 4.2181 8.5906 108.6446 45.5790 0.0000 175.6929 24 K 3.9347 8.5543 121.5818 59.4774 32.0010 179.2939 25 S 4.2647 7.9994 113.8017 61.4555 63.0478 175.8881 26 N 4.5620 7.9810 120.6111 54.9405 38.4529 177.2798 27 L 4.1925 8.2403 121.1186 57.5085 41.6976 179.1270 28 L 4.0137 8.0717 120.6127 58.1793 41.9935 179.1933 29 S 4.0718 8.2393 114.3303 61.4228 63.0660 176.2671 30 R 4.0181 8.1626 122.5730 59.1154 29.6313 178.3331 31 F 4.1944 8.0133 119.2113 61.4136 39.4861 176.9121 32 T 3.9123 7.7081 108.3315 63.5747 68.8589 176.0480 33 R 4.4370 7.7052 115.4968 55.4886 30.3990 173.9519 34 D 4.5095 7.7485 114.8383 56.0440 40.2672 172.9536 35 E 4.8708 8.0898 113.7675 54.1901 32.6109 175.4084 36 F 5.0247 8.4042 121.8820 56.6833 42.7266 173.5470 37 N 4.8469 8.1641 125.5204 51.8201 41.5523 177.3106 *38 L 4.0908 8.5512 124.0045 54.3379 39.8969 175.6715 *45 G 4.1252 7.7126 106.9731 46.1144 0.0000 173.0582 46 V 5.2997 7.5649 120.8789 60.4555 35.2025 173.8362 47 E 5.0700 9.4638 123.8209 55.4926 33.2907 173.5235 48 F 5.1367 8.0906 113.9942 55.5754 41.2445 173.0664 49 A 4.3326 8.4488 119.9508 51.0470 22.8671 175.2295 50 T 5.4152 7.9275 108.1654 59.0952 72.2224 173.2452 51 K 4.4392 8.2334 121.9379 55.5345 35.6912 174.2084 52 S 5.3923 8.5516 122.5065 56.8126 65.5962 173.4217 53 I 4.8089 8.5183 116.0443 59.3003 41.3448 173.8195 54 Q 5.0088 8.5753 121.8989 54.7929 30.2215 175.3786 55 L 4.0238 8.7472 123.6902 56.8395 42.3898 177.5543 *59 K 4.2333 7.6502 116.7121 56.2289 33.2547 174.6958 60 I 4.7645 8.5145 123.7956 59.7619 39.1931 174.5742 61 I 4.3982 8.3481 129.1925 60.1327 38.9336 175.1198 62 K 4.4460 8.9662 128.7796 54.8650 33.7188 175.0145 63 A 4.6739 8.9782 131.2918 51.1935 20.2249 175.7691 64 Q 4.3361 9.0031 125.5535 55.1013 30.4044 173.7445 65 I 5.0956 8.6006 127.7554 59.3139 39.6363 175.0110 66 W 5.4334 9.2963 126.4172 55.1131 32.5152 174.2671 67 D 5.3434 9.4715 121.5505 52.9901 44.6011 174.1065 68 T 5.2095 8.4412 112.8448 60.0178 71.4450 173.5830 69 A 4.1700 8.8173 124.3509 53.7700 19.5393 177.3302 *75 R 4.0580 7.7775 112.7420 55.6803 31.4089 175.4173 76 A 4.1483 8.4309 120.5889 55.6073 18.2965 179.5188 77 I 3.8793 7.6997 107.9062 62.4728 37.9509 177.7991 78 T 4.4362 7.4656 118.6110 67.2327 68.2087 175.7272 79 S 4.1634 8.2745 113.9164 61.6815 62.0930 176.1483 80 A 3.9692 7.9007 121.5907 55.1674 18.3366 178.3235 81 Y 3.8829 8.8402 118.0646 61.1532 39.1431 177.8175 82 Y 4.1360 8.1271 116.6068 58.7908 37.9728 175.7462 83 R 4.0220 6.9194 120.9678 57.6770 30.3246 176.6662 84 G 3.8314 8.9683 112.6678 45.3658 0.0000 172.8545 85 A 4.2222 7.8029 123.5769 52.2683 18.6322 178.1272 86 V 4.2259 8.7140 115.9797 61.4207 33.2953 175.7920 87 G 4.3429 7.7517 106.7476 45.1528 0.0000 171.6552 88 A 5.3013 8.8498 121.1371 50.4175 23.4814 175.2368 89 L 4.9060 8.8433 120.5100 52.9666 44.3188 175.5410 90 L 4.8691 8.9541 127.7364 53.7754 42.9495 174.9553 91 V 5.0481 8.7599 127.8155 61.2487 34.1037 174.0505 92 Y 4.9813 8.8300 124.7419 55.3496 42.4489 173.1991 93 D 5.2659 9.0164 118.9886 52.4418 42.7841 177.2195 94 I 4.0163 8.7127 127.6463 63.9641 37.3021 177.4507 95 T 4.5223 8.3535 108.5174 60.6454 69.4343 174.9531 96 K 4.4629 8.0486 122.4494 53.8656 33.7141 176.3690 97 K 3.9352 8.7658 125.8627 59.6881 32.0286 177.8123 98 N 4.3804 8.2501 116.8059 56.4831 38.6706 176.8020 99 S 4.7632 7.8623 116.1913 60.7268 63.3374 176.0556 100 F 4.1395 8.1766 123.8259 61.0174 39.0676 176.7285 101 E 3.7132 8.0811 117.0477 59.7229 29.5801 178.8930 102 N 4.4508 8.4541 115.0957 54.8497 38.5138 177.2689 103 I 3.9199 7.4785 122.6791 64.4493 37.2323 177.7134 104 E 4.1005 7.8584 119.1032 58.8553 29.1173 179.3851 105 K 3.8682 7.8070 118.6206 59.0426 32.2033 179.2196 106 W 4.4192 7.8374 118.8969 59.6832 28.8480 178.3563 107 L 4.1026 8.4922 120.6998 57.8759 41.4552 178.8917 108 K 3.8679 8.1846 119.6490 59.5361 32.0753 178.1912 109 E 3.8643 8.0902 119.3834 59.2904 29.4167 178.6355 110 L 3.3791 8.0546 120.1707 58.1115 42.0001 179.1501 111 R 3.8462 8.0198 117.1293 59.3574 30.0518 178.5314 112 D 4.4682 8.1287 117.6127 56.2125 40.8963 176.8047 113 N 4.7414 7.2883 112.2162 52.2586 40.8566 174.2424 114 A 4.6538 7.4957 120.4951 49.7527 21.3359 176.1453 115 D 4.4609 8.4594 119.0454 54.5142 41.6402 178.0906 116 S 4.1870 8.5813 118.8769 60.7697 63.2595 174.5925 117 N 4.6978 7.9202 116.5657 52.6864 38.5295 174.7483 118 I 3.6844 7.2588 119.1411 61.7694 38.7757 175.1611 119 V 4.2530 8.1617 128.9440 61.6827 33.4740 174.4427 120 I 5.0072 8.3293 127.7201 59.3522 40.6448 173.8730 121 L 4.9946 8.7111 129.0638 52.9510 44.4434 175.0291 122 L 4.7531 9.1192 130.1946 55.0593 43.5141 175.5539 123 V 4.7078 9.2598 126.6911 61.0939 34.4231 174.4234 124 G 3.1634 8.6554 116.4226 44.7505 0.0000 172.3427 125 N 5.1085 8.6391 126.2258 52.2243 41.8381 174.3585 126 K 4.1754 8.7453 117.2445 58.1392 28.6459 178.6709 127 S 4.2952 8.0142 114.6851 60.4339 63.6000 175.1221 128 D 4.3998 8.0674 121.0809 56.1380 40.0575 176.6325 129 L 4.5657 7.6569 122.0061 52.9692 40.3899 177.1423 130 K 3.8774 8.1029 124.2303 59.8168 32.6966 178.1224 131 H 4.2180 8.4690 111.8596 57.4001 28.3094 175.5344 132 L 4.5405 7.7304 118.9024 53.8670 42.6176 176.1146 133 R 4.2590 7.3843 119.7225 57.0931 30.1599 176.3789 134 V 4.3104 8.7289 116.7255 60.7065 33.6217 175.4274 135 I 4.1588 7.5499 120.8640 59.1684 38.1170 175.0857 136 N 4.5903 8.3710 123.8872 52.6366 39.3309 176.1912 137 D 4.5850 8.8137 122.7469 56.5269 39.4620 178.5796 138 N 4.3359 8.1589 118.1294 56.0873 37.3467 176.8424 139 D 4.3385 7.9284 120.8517 56.9178 40.8501 178.6333 140 A 3.9869 7.5944 120.8674 55.1977 18.3877 179.5644 141 T 3.7575 7.9290 114.5900 66.8761 68.4119 176.7579 142 Q 4.0140 8.1238 119.8230 59.1410 28.2268 178.3427 143 Y 4.0417 7.9709 119.7310 60.7127 38.7884 177.8817 144 A 3.9315 8.2165 121.7089 55.1233 17.8995 179.8135 145 K 3.9099 8.1483 116.9856 59.4343 31.8825 179.7113 146 K 3.9358 7.5639 117.7731 58.9633 32.0869 178.3185 147 E 4.2414 7.5153 115.0231 54.4693 31.1026 176.1364 148 K 3.7816 7.2865 117.0037 57.5726 29.7586 174.3372 149 L 5.0489 8.1516 117.4523 52.4453 45.2018 178.1749 150 A 4.3916 8.4651 123.5594 52.2663 19.9735 176.3181 151 F 5.5392 8.4511 120.6529 57.0221 42.5659 173.4568 152 I 4.1723 8.4038 124.9410 59.3104 41.9414 173.0156 153 E 5.0925 8.2427 126.1208 54.7913 31.4713 175.3423 154 T 4.8280 8.7015 113.4194 59.8445 73.0912 172.9453 155 S 4.6949 8.7588 116.2747 56.3961 64.3192 174.4731 156 A 4.0866 8.7566 131.9733 55.1182 18.6268 178.5370 157 L 2.5522 7.8616 116.6574 57.7875 42.0686 177.6247 158 E 4.1048 7.8279 114.0937 55.8128 30.0541 177.1298 159 A 3.8202 8.0317 122.0619 51.9785 17.9874 177.9388 160 T 3.9285 7.5951 112.8664 65.1020 68.7045 174.4987 161 N 4.4046 9.0505 122.1505 53.9594 37.0421 176.4238 162 V 3.5998 7.7276 118.7987 66.0460 31.5884 177.5431 163 E 4.1767 8.2452 118.6137 59.3156 29.5571 178.2603 164 L 3.9327 7.9702 119.6694 57.9832 42.2413 178.5356 165 A 3.8384 8.2003 120.9003 55.3141 18.2854 179.7137 166 F 3.8759 7.8549 115.5508 60.7561 38.8800 177.6968 167 H 4.2276 8.6341 116.2284 58.8501 28.5508 177.7076 168 Q 3.9877 8.2378 119.3814 59.3098 28.3594 178.3263 169 L 3.8962 7.7414 122.4694 57.7449 42.1252 178.9260 170 L 4.1816 8.2235 118.9440 58.0073 41.5953 179.1408 171 N 4.5024 8.3097 116.9873 56.5643 38.8660 176.6422 172 E 3.9868 8.3233 120.9979 59.1069 29.4820 178.8308 173 I 3.4730 7.5592 119.1223 64.2990 37.1754 177.1974 174 Y 4.3730 7.8706 118.9984 61.1189 38.6731 177.4950 175 N 4.2779 8.0909 115.5221 56.7106 38.8494 175.6837 176 V 3.7975 7.6912 122.3676 63.2888 31.7417 175.4388 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 D 8.36 4.60 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.90 4.27 0.00 3.03 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 8 Y 7.18 4.28 0.00 2.97 2.62 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 0.00 0.00 0.00 9 D 8.64 4.18 0.00 2.52 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 0.00 0.00 0.00 10 Y 7.76 5.01 0.00 2.45 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 11 L 8.71 4.89 0.00 1.61 1.62 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.67 5.26 0.00 3.03 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 13 K 8.85 4.92 0.00 1.95 1.90 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.70 7.81 14 I 9.12 5.12 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 1.09 0.00 0.00 15 V 8.51 4.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.82 0.00 0.00 16 L 8.84 5.11 0.00 1.77 1.62 1.06 1.07 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 17 I 9.33 4.36 1.66 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.96 0.00 0.00 18 G 7.02 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 19 D 8.14 4.72 0.00 2.94 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 20 S 8.50 4.08 0.00 3.87 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 21 G 8.89 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 22 V 7.16 3.74 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 0.80 0.00 0.00 0.98 0.00 0.00 23 G 8.59 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 0.00 0.00 0.00 0.00 24 K 8.55 3.93 0.00 1.82 1.98 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.46 7.81 25 S 8.00 4.26 0.00 4.02 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.98 4.56 0.00 2.78 3.07 0.00 0.00 7.63 6.74 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 27 L 8.24 4.19 0.00 1.97 1.95 0.90 0.33 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 28 L 8.07 4.01 0.00 1.85 1.88 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.24 4.07 0.00 4.07 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 30 R 8.16 4.02 0.00 2.19 2.19 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 31 F 8.01 4.19 0.00 2.94 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 32 T 7.71 3.91 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 1.18 0.00 0.00 33 R 7.71 4.44 0.00 1.96 1.87 0.00 3.27 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 34 D 7.75 4.51 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.09 4.87 0.00 1.95 1.81 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 2.19 2.41 0.00 36 F 8.40 5.02 0.00 2.89 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 37 N 8.16 4.85 0.00 2.43 2.48 0.00 0.00 6.84 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 *38 L 8.55 4.09 0.00 1.66 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *45 G 7.71 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.56 5.30 2.27 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 1.38 0.00 0.00 1.03 0.00 0.00 47 E 9.46 5.07 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 2.23 2.24 0.00 48 F 8.09 5.14 0.00 1.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.45 4.33 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 50 T 7.93 5.42 4.17 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 0.00 0.00 0.00 1.29 0.00 0.00 51 K 8.23 4.44 0.00 1.54 1.45 0.00 1.26 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.51 1.23 7.81 52 S 8.55 5.39 0.00 3.72 3.68 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 53 I 8.52 4.81 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.96 0.00 0.00 54 Q 8.58 5.01 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 55 L 8.75 4.02 0.00 1.40 1.58 0.61 0.79 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 *59 K 7.65 4.23 0.00 1.64 1.81 0.00 1.90 0.00 0.00 2.00 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 60 I 8.51 4.76 1.75 0.00 0.00 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 1.26 0.81 0.94 0.00 0.00 61 I 8.35 4.40 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.04 0.52 0.00 0.00 62 K 8.97 4.45 0.00 0.87 0.95 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 1.01 7.81 63 A 8.98 4.67 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 9.00 4.34 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 65 I 8.60 5.10 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 1.08 0.00 0.00 66 W 9.30 5.43 0.00 3.06 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 67 D 9.47 5.34 0.00 2.84 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 68 T 8.44 5.21 4.09 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 82 Y 8.13 4.14 0.00 3.10 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 83 R 6.92 4.02 0.00 1.93 1.89 0.00 3.28 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 84 G 8.97 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 0.00 0.00 0.00 85 A 7.80 4.22 1.24 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 0.00 0.00 86 V 8.71 4.23 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 0.74 0.00 0.00 0.85 0.00 0.00 87 G 7.75 4.34 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 88 A 8.85 5.30 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 89 L 8.84 4.91 0.00 1.59 1.50 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 90 L 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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 0.84 0.00 0.00 0.86 0.00 0.00 124 G 8.66 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 0.00 0.00 0.00 125 N 8.64 5.11 0.00 2.75 2.75 0.00 0.00 6.96 6.04 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 0.00 126 K 8.75 4.18 0.00 2.04 1.96 0.00 2.29 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 127 S 8.01 4.30 0.00 3.96 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 0.00 128 D 8.07 4.40 0.00 2.94 2.93 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 0.00 129 L 7.66 4.57 0.00 1.84 1.57 0.93 0.54 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 0.00 130 K 8.10 3.88 0.00 1.80 1.87 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.47 7.81 131 H 8.47 4.22 0.00 3.32 3.40 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.73 4.54 0.00 1.71 1.63 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.38 4.26 0.00 1.87 1.86 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 134 V 8.73 4.31 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 0.78 0.00 0.00 1.02 0.00 0.00 135 I 7.55 4.16 1.86 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 1.39 0.56 0.03 0.00 0.00 136 N 8.37 4.59 0.00 2.83 2.94 0.00 0.00 6.85 8.08 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 0.00 137 D 8.81 4.58 0.00 3.21 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 0.00 138 N 8.16 4.34 0.00 2.95 3.14 0.00 0.00 6.30 8.07 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 0.00 139 D 7.93 4.34 0.00 2.64 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 0.00 140 A 7.59 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.93 3.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 142 Q 8.12 4.01 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 143 Y 7.97 4.04 0.00 3.11 3.17 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 0.00 0.00 0.00 0.00 144 A 8.22 3.93 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 0.00 145 K 8.15 3.91 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 146 K 7.56 3.94 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.68 7.81 147 E 7.52 4.24 0.00 1.54 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 0.00 1.69 1.73 0.00 148 K 7.29 3.78 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 149 L 8.15 5.05 0.00 1.52 1.59 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.47 4.39 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 0.00 151 F 8.45 5.54 0.00 2.99 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 0.00 152 I 8.40 4.17 1.69 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 1.04 1.03 0.74 0.00 0.00 153 E 8.24 5.09 0.00 1.71 1.72 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 2.18 1.93 0.00 154 T 8.70 4.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 155 S 8.76 4.69 0.00 3.83 3.68 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 0.00 156 A 8.76 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.86 2.55 0.00 1.21 1.47 0.22 0.83 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 0.00 158 E 7.83 4.10 0.00 1.94 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 2.20 2.13 0.00 159 A 8.03 3.82 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 0.00 160 T 7.60 3.93 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 161 N 9.05 4.40 0.00 2.94 2.87 0.00 0.00 6.74 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 0.00 162 V 7.73 3.60 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 1.34 0.00 0.00 1.05 0.00 0.00 163 E 8.25 4.18 0.00 2.16 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 2.22 2.15 0.00 164 L 7.97 3.93 0.00 1.78 1.76 0.93 0.93 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 0.00 165 A 8.20 3.84 1.11 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 0.00 0.00 166 F 7.85 3.88 0.00 2.42 2.35 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 0.00 167 H 8.63 4.23 0.00 3.42 3.44 0.00 5.82 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 0.00 168 Q 8.24 3.99 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 169 L 7.74 3.90 0.00 1.82 1.86 0.90 0.51 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 0.00 170 L 8.22 4.18 0.00 1.99 1.90 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.31 4.50 0.00 3.06 2.88 0.00 0.00 6.87 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 0.00 172 E 8.32 3.99 0.00 2.16 2.07 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 2.30 2.37 0.00 173 I 7.56 3.47 1.68 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 1.34 0.66 -0.28 0.00 0.00 174 Y 7.87 4.37 0.00 3.21 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 0.00 175 N 8.09 4.28 0.00 2.95 2.88 0.00 0.00 7.08 7.28 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 0.00 176 V 7.69 3.80 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 0.70 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.