NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.1128 8.0093 120.7737 60.5561 39.4414 175.8994 9 H 4.6253 8.6097 113.1499 51.7253 30.7366 173.5100 10 P 4.6248 0.0000 0.0000 61.8700 32.7819 175.2864 11 P 4.0572 0.0000 0.0000 62.7008 31.9165 176.7427 12 K 4.1926 8.6392 123.7294 56.5044 33.3331 175.9320 13 V 4.9554 8.4533 123.8230 61.1646 34.6964 173.9481 14 E 5.0287 9.0846 125.7130 54.7733 33.9849 174.2111 15 Y 5.1387 8.2621 118.0870 56.3160 42.2661 175.2020 16 F 5.1138 9.4117 120.1577 54.8375 42.4944 173.6714 17 D 4.9868 9.1933 125.8883 52.7255 41.4907 176.9386 18 L 4.0573 8.8450 127.6015 57.2707 41.7307 179.4535 19 R 4.0494 8.5735 118.4180 58.6898 30.1075 177.2413 20 D 4.8470 8.2109 113.2033 52.4512 40.2278 175.5887 21 H 4.1252 7.9640 115.6808 58.0262 26.7268 173.4925 22 T 5.1262 7.6385 107.4916 59.8573 73.2809 173.4902 23 N 5.1550 9.0127 120.3433 52.2810 42.3683 173.0711 24 T 4.8001 8.5737 124.3749 62.3646 70.1572 175.2833 25 D 5.1985 8.8557 127.2353 51.7388 40.9208 175.2510 26 P 4.8051 0.0000 0.0000 63.9953 31.2380 177.4452 27 K 4.4068 8.7732 117.4790 55.8941 32.1523 177.3380 28 G 3.9534 8.4112 107.0949 45.2795 0.0000 173.7540 29 F 4.3558 8.1963 123.2760 57.8494 40.6771 174.0519 30 V 4.2910 7.5365 126.4147 62.0014 32.1813 175.0026 31 R 4.6524 8.6382 127.2833 54.5601 32.8331 175.1885 32 H 4.6973 8.7062 122.2282 55.9995 30.9037 174.2676 33 V 4.1230 7.6531 124.4745 61.2159 32.5724 175.5703 34 D 4.5736 8.4558 127.3509 57.6526 41.4938 176.7216 35 H 4.6410 7.5100 115.6704 55.5238 32.7069 172.5905 36 Y 5.0185 8.5461 123.1646 56.1909 41.3906 174.6160 37 R 4.4607 8.6952 122.8048 54.5915 33.5701 173.9229 38 V 4.2984 8.3189 125.8122 61.1923 33.2364 174.5166 39 E 4.4008 8.4946 125.9658 53.3172 32.2411 175.2843 40 P 4.2758 0.0000 0.0000 64.6791 31.3767 177.4107 41 W 4.7195 6.7986 112.3104 55.4303 29.0666 174.9224 42 G 4.2575 6.8100 106.4088 46.4708 0.0000 171.6863 43 L 4.4655 7.8125 121.5072 53.0226 44.5887 175.2819 44 Y 4.3524 8.2904 127.1077 54.6017 42.1944 173.4274 *46 A 4.3075 8.2430 120.6649 51.6653 20.1434 176.0876 47 R 4.6605 8.0009 118.2538 54.5743 33.3845 174.8483 48 T 4.4178 8.1337 110.3224 61.8994 69.9602 173.3296 49 S 4.7289 8.8362 116.1488 56.3533 66.2352 173.6038 50 D 4.8419 8.4824 123.9280 53.2871 39.9866 175.9256 51 H 4.0978 7.6245 120.1085 55.6064 30.2225 174.6273 52 P 4.3749 0.0000 0.0000 65.3856 31.5533 177.5980 53 Q 4.6367 8.3863 116.6891 57.4320 29.5041 175.2122 54 F 5.3590 7.2146 110.0040 55.4707 41.0469 174.5199 55 H 5.1553 9.0402 114.8498 55.0512 30.0926 172.9135 56 Y 5.0861 7.7224 119.7401 56.4157 42.5202 172.8280 57 L 4.9832 8.4567 127.0450 53.3054 45.6666 174.8445 58 E 4.8613 8.8609 124.8946 54.7804 33.3138 175.1954 59 S 5.3443 7.9292 116.8243 56.8051 68.2102 172.7670 60 W 4.9336 9.4333 122.1314 54.9221 32.2424 174.4788 61 L 4.3435 8.8985 125.8023 53.6596 42.9833 176.0456 62 L 5.4736 8.6727 124.6152 51.8398 41.7865 175.1932 63 P 4.6676 0.0000 0.0000 64.9830 31.7359 178.4088 64 D 4.5856 8.2291 114.9445 55.8937 41.4641 176.6377 65 L 4.6050 8.1896 118.4416 53.5166 43.0382 177.0427 66 G 4.7839 8.1288 107.4457 46.6570 0.0000 172.9878 67 L 5.4140 7.5272 116.4889 52.4414 45.8924 175.9274 68 R 4.5540 8.6084 121.7687 54.4483 32.7201 174.0444 69 A 5.2152 8.8993 128.9588 51.2782 21.1311 176.0151 70 S 5.2158 9.5527 116.3264 56.8738 68.0632 173.0723 71 I 4.3480 8.1214 122.7762 59.3874 39.9030 174.4535 72 F 4.3182 8.2724 125.6107 56.2016 40.2987 175.8606 73 H 4.4865 9.0311 122.4656 54.6434 28.4035 174.2290 74 Y 4.8166 8.1612 120.4654 57.8106 38.8474 175.6488 75 H 4.5671 9.2619 120.0176 55.1712 30.2661 173.3575 76 P 4.2096 0.0000 0.0000 64.7154 31.4922 176.7458 77 Y 3.8004 8.3254 117.5747 58.9345 35.5915 169.4927 78 H 4.8475 8.0918 115.5106 55.2143 29.4943 173.9099 79 Q 3.7414 8.0472 121.4849 56.2599 29.2262 176.1685 80 R 4.0652 6.7888 123.9532 55.4196 31.6654 176.6064 81 D 4.6707 8.1758 121.6034 52.2966 39.7205 175.3722 82 Q 4.6812 7.3488 117.2833 54.9477 32.0144 174.9269 83 D 4.5784 8.8797 120.2365 56.4659 42.0112 176.7750 84 H 4.9776 8.0060 113.3817 54.0268 33.6644 171.8455 85 Y 5.2333 8.7104 121.6782 55.8987 42.1406 174.4905 86 V 4.8112 7.9854 125.3236 61.3104 34.9582 173.7798 87 D 5.0625 9.1997 128.1806 53.3192 42.9805 175.4627 88 I 4.8636 8.5182 123.0928 59.4859 39.3712 176.1869 89 G 3.5801 7.6431 112.0538 46.4654 0.0000 171.4828 90 T 4.3885 6.8228 117.8580 61.6241 71.0008 173.6069 91 F 5.2267 8.5863 124.5765 55.8677 42.5200 174.1872 92 T 4.6336 8.9539 120.5016 61.3187 71.2662 174.1091 93 R 2.0000 8.1528 125.5445 55.6815 30.7055 176.3752 94 G 4.6227 6.5223 108.3506 43.2765 0.0000 172.7392 95 D 4.5120 8.6965 120.5086 56.4246 41.2443 177.1623 96 D 4.9705 8.1415 117.0387 54.0315 44.5087 176.3206 97 V 4.9498 7.7318 118.0740 60.9604 34.5456 175.1340 98 W 5.1628 9.5168 128.0792 55.6319 31.6872 175.0504 99 K 5.1669 9.0421 121.5967 54.9521 35.6697 174.9672 100 S 5.2642 9.4139 119.8860 56.5344 66.7196 172.3392 101 E 4.8659 8.4344 122.4056 54.4515 32.7303 173.4638 102 D 4.9368 8.6316 126.8688 52.5783 42.6802 175.7988 103 H 4.8008 8.8231 125.2437 56.4361 28.7311 175.6320 104 Y 4.3116 8.8027 121.3308 58.2817 37.2132 170.5792 105 L 4.6745 7.7052 118.6124 55.2291 43.1135 175.8167 106 D 5.1441 8.8961 119.8327 52.1784 43.4431 173.7594 107 L 5.2128 8.8534 119.7543 52.9939 44.9549 175.5770 108 V 4.7727 8.7080 123.1504 61.2065 33.9133 174.2219 109 V 4.7551 8.8403 128.2620 61.2305 34.1716 174.3613 110 R 4.8690 8.8613 127.5544 54.4343 31.8413 175.9363 111 T 4.2904 9.0471 122.3386 65.4625 68.7678 175.1193 112 G 4.5029 9.0665 114.3726 45.9669 0.0000 173.0802 113 R 4.3916 7.6081 115.6289 55.8887 32.6721 175.0922 114 D 4.4015 7.1523 113.7464 53.1368 42.7317 173.5053 115 T 5.0979 8.3972 114.7592 61.7470 72.2179 173.1981 116 E 4.6168 9.1691 126.7514 54.2196 32.5956 174.0963 117 L 4.8212 8.6414 129.3617 54.2695 43.2299 175.4844 118 L 4.7378 9.0014 126.1609 53.5387 45.8124 176.4272 119 D 4.8295 8.7268 116.7994 55.4905 38.0734 176.7247 120 V 3.6777 8.0338 121.5458 65.8996 31.4892 176.8394 121 D 4.5261 8.2601 119.1133 56.4389 39.5098 178.4150 122 E 3.8449 8.1722 119.0824 59.0536 29.8023 179.3342 123 L 3.8699 7.7284 117.0364 55.6611 41.8599 177.9546 *125 E 4.2039 8.5106 119.2112 55.6180 31.4135 177.6368 126 A 3.8617 7.8271 121.8946 55.2306 19.0109 179.1168 127 H 4.3552 8.5152 116.1558 59.4765 30.0096 177.6626 128 T 3.8476 7.8906 109.4428 64.2288 68.8180 175.3968 129 T 4.2836 7.7053 109.7821 61.1117 69.2009 175.1743 130 G 3.8651 7.8062 109.6794 46.5293 0.0000 175.0558 131 L 4.2650 8.1997 122.0397 56.1898 41.9682 177.1881 132 L 4.7832 7.4599 116.6713 52.8265 43.4882 175.8982 133 D 4.7407 8.3692 120.3427 53.0138 41.9821 177.5357 134 T 3.7795 8.4079 115.5573 66.5760 68.3175 176.6835 135 A 4.0049 7.9851 122.2260 55.6476 18.3667 179.7379 136 T 3.8366 8.5833 114.2592 66.5079 68.4848 177.0473 137 A 3.9639 8.2301 122.9818 55.0016 18.3542 179.1156 138 E 3.8137 8.5521 118.2760 59.6323 29.7232 178.7920 139 Q 3.9384 8.4828 119.5954 59.0886 29.0372 178.0478 140 A 4.0584 8.3613 122.0676 55.4262 18.3626 179.6950 141 I 3.6879 7.7675 118.1542 64.6248 37.1534 178.7863 142 L 4.0983 8.1348 121.2861 57.3650 41.5022 179.7487 143 T 3.9116 8.5732 116.0496 66.4950 68.4417 176.4805 144 A 4.0356 8.1920 122.9621 55.4916 17.9342 179.8566 145 T 3.8712 8.2270 108.5821 65.1137 68.8781 176.7256 146 T 3.8209 8.1039 118.4871 66.4206 68.4836 176.3490 147 A 3.0256 7.7879 121.9634 54.8998 18.4059 179.5687 148 I 3.4819 7.9735 118.7183 64.4985 37.1796 178.1075 149 D 4.2251 8.2338 119.1096 57.2316 40.8617 178.5576 150 G 2.4163 6.9840 104.5324 47.2966 0.0000 175.2588 151 I 3.8079 7.0564 122.6825 64.1515 36.9495 178.4844 152 A 3.5201 7.7075 119.7852 54.7000 18.2586 178.8972 153 A 4.1052 7.7247 117.1213 53.4081 18.9500 177.0990 154 H 4.8155 7.9087 115.3391 55.1774 29.7698 174.1245 155 G 3.5772 8.2079 101.7561 47.6761 0.0000 173.4283 156 H 4.2850 7.9957 111.9081 56.5583 26.5464 175.4144 157 D 5.0587 7.7938 116.2749 51.6113 43.8097 174.3235 158 L 4.2679 8.7037 129.3264 58.4587 42.2695 178.8759 159 G 3.6061 8.2300 105.0687 47.7544 0.0000 175.4719 160 R 3.8596 8.5232 121.0017 58.8390 29.9325 178.2405 161 W 3.9261 7.9801 126.9962 60.5683 30.9161 177.6252 162 L 3.1847 7.8936 118.5990 57.3774 40.9801 179.3633 163 A 3.6854 8.1334 121.4076 54.9457 18.0448 179.8255 164 S 4.0983 7.9780 112.2825 60.4539 62.9642 175.7195 165 I 4.2602 6.7667 114.8068 59.5090 38.9943 174.4110 166 G 3.0918 7.1647 111.3125 45.2067 0.0000 171.0583 *168 P 3.7601 0.0000 0.0000 62.4467 32.7774 177.0054 169 I 3.4420 7.5503 113.8119 58.4955 39.9752 174.2198 170 D 4.7549 7.8923 119.8738 51.3991 42.4315 174.4280 171 W 5.4040 8.3805 118.9597 54.6465 32.8076 176.0937 172 R 4.1408 9.6977 117.6112 58.8804 29.2765 177.1656 173 G 3.8142 8.2473 111.0516 45.5286 0.0000 173.1600 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 8 I 8.01 4.11 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.96 0.00 0.00 9 H 8.61 4.63 0.00 3.44 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.62 0.00 2.27 2.19 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 11 P 0.00 4.06 0.00 1.95 2.14 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 12 K 8.64 4.19 0.00 1.71 1.76 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.51 1.43 7.81 13 V 8.45 4.96 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 0.89 0.00 0.00 0.95 0.00 0.00 14 E 9.08 5.03 0.00 1.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 15 Y 8.26 5.14 0.00 2.84 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 16 F 9.41 5.11 0.00 2.87 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 17 D 9.19 4.99 0.00 2.75 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 18 L 8.84 4.06 0.00 1.56 1.62 0.98 0.15 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 19 R 8.57 4.05 0.00 1.95 2.00 0.00 3.13 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 20 D 8.21 4.85 0.00 2.80 2.76 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 21 H 7.96 4.13 0.00 3.33 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.64 5.13 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 1.28 0.00 0.00 23 N 9.01 5.16 0.00 2.88 2.62 0.00 0.00 7.54 7.87 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 24 T 8.57 4.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 25 D 8.86 5.20 0.00 2.98 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 26 P 0.00 4.81 0.00 2.09 2.17 0.00 3.75 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 27 K 8.77 4.41 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 28 G 8.41 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 29 F 8.20 4.36 0.00 3.15 3.31 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 30 V 7.54 4.29 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 0.72 0.00 0.00 0.86 0.00 0.00 31 R 8.64 4.65 0.00 1.89 1.79 0.00 3.27 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 32 H 8.71 4.70 0.00 3.14 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.65 4.12 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 -0.03 0.00 0.00 0.59 0.00 0.00 34 D 8.46 4.57 0.00 2.88 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 35 H 7.51 4.64 0.00 3.07 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.55 5.02 0.00 2.78 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 37 R 8.70 4.46 0.00 1.69 1.55 0.00 3.02 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 38 V 8.32 4.30 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 0.96 0.00 0.00 0.74 0.00 0.00 39 E 8.49 4.40 0.00 1.16 1.12 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 2.10 2.06 0.00 40 P 0.00 4.28 0.00 2.21 2.17 0.00 2.68 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 41 W 6.80 4.72 0.00 3.32 3.32 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 42 G 6.81 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.81 4.47 0.00 0.27 0.13 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.29 4.35 0.00 1.43 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 0.00 0.00 0.00 *46 A 8.24 4.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.00 4.66 0.00 1.78 1.69 0.00 2.69 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 48 T 8.13 4.42 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 1.38 0.00 0.00 49 S 8.84 4.73 0.00 4.02 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 50 D 8.48 4.84 0.00 2.76 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 51 H 7.62 4.10 0.00 2.38 1.93 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.37 0.00 2.05 2.07 0.00 3.01 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 53 Q 8.39 4.64 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 54 F 7.21 5.36 0.00 2.96 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 55 H 9.04 5.16 0.00 3.32 3.53 0.00 5.74 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.72 5.09 0.00 3.07 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 57 L 8.46 4.98 0.00 1.73 1.26 0.32 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.86 4.86 0.00 2.33 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 2.53 2.54 0.00 59 S 7.93 5.34 0.00 3.52 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 60 W 9.43 4.93 0.00 3.12 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 61 L 8.90 4.34 0.00 1.36 1.67 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.67 5.47 0.00 1.70 1.60 0.85 1.03 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 63 P 0.00 4.67 0.00 2.25 2.26 0.00 4.30 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 64 D 8.23 4.59 0.00 2.72 2.76 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 65 L 8.19 4.61 0.00 1.78 1.82 0.62 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 66 G 8.13 4.78 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 0.00 0.00 0.00 67 L 7.53 5.41 0.00 1.67 1.58 1.20 0.84 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 68 R 8.61 4.55 0.00 0.67 1.41 0.00 3.09 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.31 0.00 69 A 8.90 5.22 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.55 5.22 0.00 3.53 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 71 I 8.12 4.35 1.45 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.55 0.00 0.00 72 F 8.27 4.32 0.00 1.85 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.03 4.49 0.00 3.15 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.16 4.82 0.00 2.97 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 75 H 9.26 4.57 0.00 3.06 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.21 0.00 2.02 1.69 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 77 Y 8.33 3.80 0.00 3.28 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 78 H 8.09 4.85 0.00 3.45 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.05 3.74 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 80 R 6.79 4.07 0.00 1.46 1.77 0.00 3.12 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.00 81 D 8.18 4.67 0.00 2.58 2.58 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 82 Q 7.35 4.68 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 83 D 8.88 4.58 0.00 2.64 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 84 H 8.01 4.98 0.00 3.10 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.71 5.23 0.00 3.32 3.04 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 86 V 7.99 4.81 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 0.87 0.00 0.00 1.00 0.00 0.00 87 D 9.20 5.06 0.00 2.77 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 88 I 8.52 4.86 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 1.07 0.00 0.00 89 G 7.64 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 90 T 6.82 4.39 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 1.12 0.00 0.00 91 F 8.59 5.23 0.00 3.09 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 92 T 8.95 4.63 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 1.10 0.00 0.00 93 R 8.15 2.00 0.00 1.17 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 102 D 8.63 4.94 0.00 2.76 2.46 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 0.00 103 H 8.82 4.80 0.00 3.06 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.80 4.31 0.00 3.17 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.67 0.00 1.69 1.65 0.98 0.99 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 0.00 106 D 8.90 5.14 0.00 2.35 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 0.00 107 L 8.85 5.21 0.00 1.50 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.71 4.77 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 1.10 0.00 0.00 1.15 0.00 0.00 109 V 8.84 4.76 2.19 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 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0.00 5.79 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.89 3.85 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 1.20 0.00 0.00 129 T 7.71 4.28 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 1.19 0.00 0.00 130 G 7.81 3.87 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 0.00 0.00 0.00 131 L 8.20 4.26 0.00 1.77 1.84 1.00 0.83 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 0.00 132 L 7.46 4.78 0.00 1.68 1.62 0.97 0.86 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 0.00 133 D 8.37 4.74 0.00 2.99 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 0.00 134 T 8.41 3.78 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 135 A 7.99 4.00 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 0.00 136 T 8.58 3.84 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 0.98 0.00 0.00 137 A 8.23 3.96 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 0.00 138 E 8.55 3.81 0.00 2.03 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 2.31 2.32 0.00 139 Q 8.48 3.94 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 140 A 8.36 4.06 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 0.00 0.00 0.00 0.00 0.00 141 I 7.77 3.69 2.02 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 1.54 0.80 0.92 0.00 0.00 142 L 8.13 4.10 0.00 1.70 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.57 3.91 4.52 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 1.42 0.00 0.00 144 A 8.19 4.04 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 0.00 145 T 8.23 3.87 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 1.26 0.00 0.00 146 T 8.10 3.82 4.45 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 1.34 0.00 0.00 147 A 7.79 3.03 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 0.00 148 I 7.97 3.48 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.85 0.00 0.00 149 D 8.23 4.23 0.00 2.68 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 0.00 150 G 6.98 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 0.00 0.00 0.00 151 I 7.06 3.81 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.26 0.93 0.00 0.00 152 A 7.71 3.52 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.72 4.11 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 7.91 4.82 0.00 3.34 3.33 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.21 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 0.00 156 H 8.00 4.28 0.00 3.39 3.34 0.00 5.76 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.79 5.06 0.00 2.76 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 0.00 158 L 8.70 4.27 0.00 1.92 1.72 1.22 1.14 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 0.00 159 G 8.23 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 3.86 0.00 1.93 2.13 0.00 3.14 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 1.64 0.00 161 W 7.98 3.93 0.00 3.43 3.45 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 0.00 162 L 7.89 3.18 0.00 1.49 1.17 0.71 -0.14 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 0.00 163 A 8.13 3.69 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 0.00 164 S 7.98 4.10 0.00 4.00 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 0.00 165 I 6.77 4.26 1.65 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.20 0.82 0.00 0.00 166 G 7.16 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 0.00 0.00 0.00 *168 P 0.00 3.76 0.00 2.01 1.81 0.00 2.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 169 I 7.55 3.44 0.56 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 1.02 0.27 -0.24 0.00 0.00 170 D 7.89 4.75 0.00 2.72 2.54 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 0.00 171 W 8.38 5.40 0.00 3.32 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 0.00 172 R 9.70 4.14 0.00 2.00 2.27 0.00 3.24 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.68 0.00 173 G 8.25 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 * Residues marked with a * may have inaccurate shift predictions.