NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.3516 8.2993 120.1333 55.5715 32.4056 175.0465 21 P 4.0560 0.0000 0.0000 65.2759 31.7042 176.1173 *22 Y 4.4331 8.4446 123.8434 56.3684 38.3287 177.5997 23 A 5.1925 8.5133 126.9736 49.5279 21.7622 175.5880 24 C 4.4854 8.5324 120.8960 58.4035 32.3792 173.1118 25 P 4.4801 0.0000 0.0000 64.5014 31.5023 176.9755 26 E 4.3790 8.2136 116.9482 57.3328 30.3706 176.3912 27 C 4.7103 8.1940 109.3262 57.0567 31.1736 174.7474 28 G 3.9395 8.1876 108.6095 44.7213 0.0000 173.5863 29 K 3.9639 8.0513 122.0211 56.9614 32.8875 175.8233 30 S 5.1936 8.4418 122.1491 57.4902 64.9928 173.3767 31 F 4.9513 9.1112 119.8894 55.7606 42.6747 176.2905 32 S 4.3844 9.0677 115.2028 60.1201 63.6151 175.0964 33 R 4.8208 7.8882 121.8521 54.3592 34.5274 176.9368 34 S 4.1164 8.5970 121.4857 63.2068 62.3127 176.5087 35 D 4.5205 7.9498 121.1615 56.9675 39.2928 178.2781 36 H 4.4041 7.9119 116.9023 58.0816 28.7497 177.3367 37 L 3.3275 7.2659 122.0560 57.7112 41.6544 178.7914 38 A 3.9934 7.3964 119.6451 55.0765 18.3410 179.1943 39 E 4.0496 7.9087 116.9863 59.7332 29.5039 178.9755 40 H 4.1026 8.1600 118.3986 59.4516 29.9843 177.2681 41 Q 4.0045 8.1421 119.6663 59.0249 28.5161 178.9876 42 R 4.1061 7.7864 118.5766 58.4830 29.8674 178.4617 43 T 4.1046 7.6754 108.7634 63.7553 69.0398 176.2813 44 H 4.5242 7.6497 118.8063 58.9854 29.2283 177.4366 45 T 4.0899 7.8183 109.5947 62.7852 68.7620 175.3837 46 G 3.8322 7.9422 108.5114 45.2782 0.0000 172.6891 47 E 4.0665 7.7303 121.1740 55.8468 29.8267 177.2269 48 K 4.6598 8.1723 125.5726 53.8383 32.5564 173.9772 49 P 4.0774 0.0000 0.0000 64.4487 31.9353 176.0748 50 Y 4.5787 8.0238 116.8282 56.6636 38.6498 174.5607 51 K 5.0548 8.5490 125.9530 54.7071 34.5543 175.2001 52 C 4.5144 9.1578 128.1917 58.6138 31.9179 172.8179 53 P 4.3928 0.0000 0.0000 64.9790 31.4755 177.3233 54 E 4.1558 8.3016 118.6443 57.9992 29.7760 176.4567 55 C 4.6830 8.0774 109.2071 57.1054 31.0138 174.6698 56 G 3.9701 8.4312 108.7598 45.2358 0.0000 173.8682 57 K 4.1620 7.8151 119.5342 56.3813 33.2481 176.1036 58 S 5.3106 8.2252 119.2284 56.9068 65.6551 173.4120 59 F 4.9050 9.2232 120.8919 55.7300 42.6792 176.3634 60 S 4.4133 9.1090 115.4841 60.1915 63.3020 174.6197 61 D 5.0872 8.0294 122.3268 52.5709 44.8169 177.7661 62 K 3.3631 7.6237 126.5542 59.3029 31.6739 180.1030 63 K 3.9918 7.7622 119.8376 59.8093 32.1305 178.5154 64 D 4.2022 7.8938 118.5023 56.9747 40.6598 178.4125 65 L 3.0054 7.2299 120.1881 58.0173 41.8817 178.9858 66 T 4.0362 7.4532 115.9000 66.1247 68.8105 176.4695 67 R 4.0233 7.9875 119.8827 59.4630 30.1146 178.4613 68 H 4.0300 7.8856 117.9622 59.4497 29.4181 177.1818 69 Q 4.0032 8.2707 119.5514 58.5439 28.4447 178.9621 70 R 4.0568 7.8484 119.1454 58.9241 29.8104 178.7693 71 T 3.9170 7.6310 108.9019 64.2992 68.7768 175.8036 72 H 4.6186 7.5759 118.4626 58.3080 29.3924 177.2343 73 T 4.1414 7.8400 109.8588 62.5475 68.9612 175.7353 74 G 3.8517 8.0360 108.7538 45.2435 0.0000 173.0140 75 E 4.0386 7.7025 120.3325 56.1148 29.9887 177.5008 76 K 4.6075 8.0351 124.4436 54.1794 32.9535 174.2925 77 P 4.1374 0.0000 0.0000 63.5943 31.9185 175.8544 78 Y 4.8275 7.8270 116.9128 55.9624 40.4518 174.5385 79 K 5.1363 8.8040 125.4801 54.6345 35.0944 174.9228 80 C 4.4847 8.9699 127.3938 58.3059 31.7807 172.7037 81 P 4.2902 0.0000 0.0000 65.9508 31.3997 178.3381 82 E 4.2465 8.3060 113.6290 57.7261 29.9675 180.8666 83 C 4.7710 8.1844 110.2076 57.0490 30.8906 174.7977 84 G 3.9871 8.4986 109.3294 45.0642 0.0000 173.9753 85 K 4.1076 7.9407 121.7241 56.7316 33.1980 175.5712 86 S 5.4434 8.3259 120.5012 56.7202 65.9316 173.1083 87 F 4.8858 9.2353 119.5163 55.6020 42.5596 176.5397 88 S 4.3728 9.1040 115.9954 60.7519 63.5848 175.0251 89 Q 4.6432 7.9531 118.8000 53.0448 33.7643 175.7297 90 R 3.4427 7.6953 122.6029 59.2861 30.1714 178.8716 91 A 3.9028 7.6849 120.1661 55.0949 18.3952 179.2409 92 N 4.1999 7.9335 114.6736 56.0748 38.6162 177.2023 93 L 2.4400 7.4502 121.7124 57.7655 41.9446 179.1530 94 R 3.7854 7.8273 116.7457 59.2336 30.3768 178.5742 95 A 4.0785 7.7903 120.3787 55.2555 18.3747 178.9988 96 H 3.9871 7.8889 116.7109 59.7351 29.9136 177.4769 97 Q 3.9715 8.1904 119.6963 58.9501 28.4887 178.9892 98 R 4.0576 7.7399 118.0660 58.7815 29.7818 178.9299 99 T 3.9766 7.5478 115.4052 66.5195 68.4794 176.1866 100 H 4.4947 7.7504 117.9464 58.7625 28.9127 177.4377 101 T 4.1890 7.8563 110.1558 62.5120 69.0231 175.7571 102 G 3.8621 7.8486 108.7702 45.1855 0.0000 172.9710 103 E 4.0572 7.5222 118.3789 56.3594 29.6201 177.8346 104 K 4.6175 8.1198 123.3341 54.1744 32.6829 174.0602 105 P 4.2652 0.0000 0.0000 63.0413 31.8968 176.8286 106 Y 4.6978 7.8282 117.9435 56.6516 39.2258 174.0961 107 A 5.0695 8.4539 126.0327 50.6688 20.9308 176.0049 108 C 4.3864 9.3142 123.6630 58.6348 32.0842 173.0680 109 P 4.3345 0.0000 0.0000 66.0769 31.4960 178.3881 110 E 4.1779 8.3686 113.7158 58.1688 29.9485 180.4217 111 C 4.6685 8.1040 111.8639 56.9440 30.7196 175.4792 112 G 4.0503 8.3385 110.6681 46.1688 0.0000 174.9594 113 K 4.1773 7.5670 122.4324 55.3942 32.8530 181.7309 114 S 5.2399 8.1510 117.9466 56.5887 66.0303 173.5560 115 F 4.9455 9.0357 121.1449 55.5851 42.3369 176.6740 116 S 4.3511 9.2079 116.4060 60.6122 63.7051 175.1701 117 Q 4.5613 7.9436 118.8913 52.8592 33.1610 175.6264 118 L 3.3585 7.4636 124.7263 58.1721 41.9791 179.3486 119 A 3.8853 7.6146 120.0860 55.3451 18.3809 179.1862 120 H 4.1520 7.9353 114.3978 58.6046 28.7238 177.5583 121 L 3.1286 7.4600 121.6690 58.0775 41.7918 179.0236 122 R 4.0014 7.8542 116.6789 59.5297 30.0334 178.6686 123 A 4.1008 8.0007 120.2712 55.2278 18.3481 179.2114 124 H 3.9940 7.8057 116.8731 59.4047 29.9497 177.5397 125 Q 4.0487 8.3734 120.0524 58.6477 28.5493 178.5380 126 R 4.1578 7.7082 118.3736 58.0940 29.9877 178.3304 127 T 4.0848 7.5418 109.0195 63.9292 69.1018 176.4124 128 H 4.5314 7.8157 118.4595 58.8901 29.2726 177.2138 129 T 4.1211 7.5616 109.8150 62.7376 68.7142 175.6493 130 G 3.8059 7.7647 107.6039 45.1673 0.0000 172.5342 131 E 4.0479 7.7118 120.9586 55.8549 29.6870 177.2471 132 K 4.6623 8.1464 125.5809 53.9697 32.7031 174.0193 133 P 4.0597 0.0000 0.0000 64.4206 32.0331 176.0751 134 Y 4.5979 7.9606 118.7964 57.4172 38.5324 175.5161 135 K 5.1058 8.6327 127.7363 53.5127 34.7677 172.2291 136 C 4.6561 8.9645 124.6396 57.3325 32.1215 172.9132 137 P 4.3618 0.0000 0.0000 65.7541 31.4961 177.6110 138 E 4.0916 8.4147 118.0002 58.7539 29.3477 177.2560 139 C 4.6887 7.9967 108.7415 56.9650 30.9892 174.8156 140 G 3.9173 8.4592 111.3107 45.7254 0.0000 174.6134 141 K 4.1283 7.8475 124.4061 55.2273 32.6530 181.5628 142 S 5.1238 8.2261 119.3355 56.0430 65.6376 173.4452 143 F 5.0062 9.2138 119.6934 55.7804 42.6261 176.4058 144 S 4.5027 9.1754 116.3029 60.3084 63.8463 175.1588 145 R 4.5991 7.7912 119.4191 53.4855 34.4289 175.8387 146 E 3.3307 7.7133 122.8883 59.0034 29.6422 178.9317 147 D 4.2062 7.6727 118.8310 56.5144 39.4987 178.1999 148 N 4.2197 7.8032 118.7456 55.0391 38.5527 176.9079 149 L 3.1127 7.3124 121.2806 58.2761 41.9726 178.7903 150 H 4.2393 7.6474 114.8602 59.1066 28.4020 177.5916 151 T 3.9409 7.8072 111.6054 65.0384 68.4904 176.0542 152 H 4.1108 7.9923 121.0659 59.0189 29.4736 177.1710 153 Q 4.1282 8.1857 119.3866 58.3522 28.2595 178.4359 154 R 4.1967 7.4717 118.3380 57.9389 30.3920 177.4101 155 T 4.1095 7.6133 107.6947 63.1410 69.3789 175.0879 156 H 4.6095 8.0360 120.8653 58.3249 29.5560 176.7358 157 T 3.9815 7.0397 110.1174 62.6756 68.9628 176.8783 *173 R 4.0461 7.6776 121.3777 56.8358 31.0122 176.5475 174 R 4.4257 8.6059 123.0050 56.5822 29.5071 172.9546 175 D 4.7055 8.0014 120.0764 56.5772 42.9483 176.3805 176 A 4.6083 7.7681 124.9072 50.5861 17.2888 175.4261 177 L 4.6720 7.6948 123.7062 55.3375 49.8100 177.0888 178 N 4.6356 7.5389 120.5831 52.1300 37.5725 176.5286 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 20 K 8.30 4.35 0.00 1.73 1.84 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 21 P 0.00 4.06 0.00 2.28 2.20 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 *22 Y 8.44 4.43 0.00 2.05 2.25 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 23 A 8.51 5.19 1.26 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 24 C 8.53 4.49 0.00 3.39 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.48 0.00 2.10 2.11 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 26 E 8.21 4.38 0.00 1.84 1.69 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 2.20 2.14 0.00 27 C 8.19 4.71 0.00 3.10 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 28 G 8.19 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 29 K 8.05 3.96 0.00 1.86 1.75 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.96 1.23 7.81 30 S 8.44 5.19 0.00 4.05 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 31 F 9.11 4.95 0.00 2.96 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 32 S 9.07 4.38 0.00 4.02 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 33 R 7.89 4.82 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 34 S 8.60 4.12 0.00 3.73 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 35 D 7.95 4.52 0.00 2.78 2.89 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 36 H 7.91 4.40 0.00 3.11 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.27 3.33 0.00 1.67 1.76 1.01 1.05 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 38 A 7.40 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.91 4.05 0.00 2.09 1.98 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 2.49 2.33 0.00 40 H 8.16 4.10 0.00 2.89 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.14 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 42 R 7.79 4.11 0.00 1.99 2.18 0.00 3.31 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 43 T 7.68 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 44 H 7.65 4.52 0.00 3.32 3.34 0.00 5.66 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 45 T 7.82 4.09 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 1.22 0.00 0.00 46 G 7.94 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 47 E 7.73 4.07 0.00 1.89 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 2.25 0.00 48 K 8.17 4.66 0.00 1.69 1.73 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.53 7.81 49 P 0.00 4.08 0.00 1.07 1.76 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 50 Y 8.02 4.58 0.00 3.07 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 51 K 8.55 5.05 0.00 2.05 1.73 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 0.98 7.81 52 C 9.16 4.51 0.00 3.33 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 53 P 0.00 4.39 0.00 2.11 2.12 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 54 E 8.30 4.16 0.00 1.87 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 55 C 8.08 4.68 0.00 3.15 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 56 G 8.43 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 0.00 0.00 0.00 57 K 7.82 4.16 0.00 1.76 1.46 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.51 7.81 58 S 8.23 5.31 0.00 3.59 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 59 F 9.22 4.90 0.00 3.10 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 60 S 9.11 4.41 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.03 5.09 0.00 2.84 2.49 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 0.00 0.00 0.00 0.00 62 K 7.62 3.36 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 63 K 7.76 3.99 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 64 D 7.89 4.20 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.23 3.01 0.00 1.79 1.74 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.45 4.04 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 67 R 7.99 4.02 0.00 1.75 1.94 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 68 H 7.89 4.03 0.00 2.82 3.01 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.27 4.00 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 70 R 7.85 4.06 0.00 1.98 2.14 0.00 3.28 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 71 T 7.63 3.92 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 1.21 0.00 0.00 72 H 7.58 4.62 0.00 3.29 3.59 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.84 4.14 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 1.21 0.00 0.00 74 G 8.04 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 75 E 7.70 4.04 0.00 1.90 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 2.24 2.23 0.00 76 K 8.04 4.61 0.00 1.66 1.70 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.52 7.81 77 P 0.00 4.14 0.00 0.57 1.64 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 78 Y 7.83 4.83 0.00 3.01 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 79 K 8.80 5.14 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.58 7.81 80 C 8.97 4.48 0.00 3.33 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 81 P 0.00 4.29 0.00 2.11 2.13 0.00 3.88 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 2.06 2.13 0.00 82 E 8.31 4.25 0.00 1.99 1.85 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 2.21 1.86 0.00 83 C 8.18 4.77 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.50 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 0.00 0.00 0.00 85 K 7.94 4.11 0.00 1.87 1.75 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.19 7.81 86 S 8.33 5.44 0.00 4.03 3.78 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 87 F 9.24 4.89 0.00 3.10 3.18 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 0.00 88 S 9.10 4.37 0.00 4.04 4.05 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 89 Q 7.95 4.64 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 90 R 7.70 3.44 0.00 0.69 1.49 0.00 3.01 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 91 A 7.68 3.90 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 92 N 7.93 4.20 0.00 2.94 2.92 0.00 0.00 6.78 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 93 L 7.45 2.44 0.00 1.59 1.66 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.83 3.79 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 95 A 7.79 4.08 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 96 H 7.89 3.99 0.00 2.94 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.19 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 98 R 7.74 4.06 0.00 2.05 1.96 0.00 3.10 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 99 T 7.55 3.98 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 1.17 0.00 0.00 100 H 7.75 4.49 0.00 3.28 3.32 0.00 5.65 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 0.00 101 T 7.86 4.19 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 1.21 0.00 0.00 102 G 7.85 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 0.00 0.00 0.00 103 E 7.52 4.06 0.00 1.99 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 2.30 2.25 0.00 104 K 8.12 4.62 0.00 1.61 1.81 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.51 7.81 105 P 0.00 4.27 0.00 1.67 1.91 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.71 0.00 106 Y 7.83 4.70 0.00 3.31 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 0.00 107 A 8.45 5.07 1.26 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 0.00 108 C 9.31 4.39 0.00 3.28 3.07 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 0.00 0.00 0.00 109 P 0.00 4.33 0.00 2.12 2.13 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 110 E 8.37 4.18 0.00 1.99 1.85 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 2.22 1.86 0.00 111 C 8.10 4.67 0.00 3.13 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 0.00 112 G 8.34 4.05 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 0.00 0.00 0.00 113 K 7.57 4.18 0.00 1.51 1.70 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.30 7.81 114 S 8.15 5.24 0.00 3.55 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 0.00 115 F 9.04 4.95 0.00 3.20 3.07 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 0.00 0.00 0.00 116 S 9.21 4.35 0.00 4.06 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 0.00 117 Q 7.94 4.56 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 118 L 7.46 3.36 0.00 0.45 1.16 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.61 3.89 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 0.00 120 H 7.94 4.15 0.00 3.39 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.46 3.13 0.00 1.83 1.84 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.85 4.00 0.00 1.87 1.96 0.00 3.36 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 123 A 8.00 4.10 1.26 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 0.00 124 H 7.81 3.99 0.00 2.80 2.99 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.37 4.05 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 126 R 7.71 4.16 0.00 2.03 2.11 0.00 3.29 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 127 T 7.54 4.08 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 1.22 0.00 0.00 128 H 7.82 4.53 0.00 3.29 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.56 4.12 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 1.28 0.00 0.00 130 G 7.76 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 0.00 131 E 7.71 4.05 0.00 1.87 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 2.27 2.24 0.00 132 K 8.15 4.66 0.00 1.67 1.72 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.55 7.81 133 P 0.00 4.06 0.00 1.01 1.75 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.09 0.00 134 Y 7.96 4.60 0.00 3.18 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 0.00 135 K 8.63 5.11 0.00 1.52 1.56 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 0.97 7.81 136 C 8.96 4.66 0.00 3.29 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 0.00 137 P 0.00 4.36 0.00 2.24 2.20 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 138 E 8.41 4.09 0.00 1.81 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 2.29 2.21 0.00 139 C 8.00 4.69 0.00 3.09 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 0.00 140 G 8.46 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.85 4.13 0.00 1.46 1.71 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.01 7.81 142 S 8.23 5.12 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.21 5.01 0.00 3.14 3.01 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 0.00 144 S 9.18 4.50 0.00 4.03 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 0.00 145 R 7.79 4.60 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 146 E 7.71 3.33 0.00 1.16 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 1.98 1.97 0.00 147 D 7.67 4.21 0.00 2.82 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 0.00 148 N 7.80 4.22 0.00 2.80 2.70 0.00 0.00 7.25 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 0.00 149 L 7.31 3.11 0.00 1.77 1.68 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 H 7.65 4.24 0.00 3.23 3.26 0.00 5.72 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 0.00 151 T 7.81 3.94 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 1.18 0.00 0.00 152 H 7.99 4.11 0.00 2.96 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.19 4.13 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 154 R 7.47 4.20 0.00 1.88 1.95 0.00 3.13 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 155 T 7.61 4.11 4.16 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 1.18 0.00 0.00 156 H 8.04 4.61 0.00 3.30 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.04 3.98 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 1.21 0.00 0.00 *173 R 7.68 4.05 0.00 1.84 1.87 0.00 3.11 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 174 R 8.61 4.43 0.00 1.87 1.78 0.00 3.28 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 175 D 8.00 4.71 0.00 2.64 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 0.00 176 A 7.77 4.61 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 0.00 177 L 7.69 4.67 0.00 1.63 1.51 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 178 N 7.54 4.64 0.00 2.79 2.60 0.00 0.00 6.99 7.44 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 * Residues marked with a * may have inaccurate shift predictions.