NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4428 0.0000 0.0000 62.7484 32.9650 175.6587 6 T 4.1358 8.5401 121.7795 62.7726 69.7578 172.3232 7 K 4.7584 10.6832 128.2700 56.0083 33.8599 176.1821 8 V 4.1419 8.6297 127.4964 60.7873 35.1667 173.7834 *10 V 4.1499 8.1249 118.9720 62.8283 32.6786 174.6396 11 A 4.7817 8.5645 130.8244 51.1783 19.2096 176.7040 12 V 4.4660 8.6388 116.6415 59.6862 35.2781 174.8391 13 N 5.1988 8.4611 119.9131 51.1918 41.4341 172.9121 14 A 4.7831 8.5005 120.4638 51.1557 19.8208 177.5067 15 S 4.4013 8.7350 115.4867 58.3974 63.0540 174.4670 16 T 4.4294 8.2694 114.7298 61.6697 69.8277 175.1041 17 I 4.2285 7.6228 114.5235 62.1717 39.2038 176.6129 18 K 4.1093 8.3946 120.5349 55.4791 32.6633 176.7387 19 D 4.5358 8.6444 122.7687 54.7236 41.4492 175.7347 20 Y 4.5495 8.4798 122.4589 57.1354 39.5828 173.4268 21 P 4.7905 0.0000 0.0000 62.2691 32.1895 175.8982 22 N 4.0931 7.7815 116.6002 53.5234 39.2057 173.7698 23 P 4.7799 0.0000 0.0000 62.1622 32.3306 176.3429 24 S 4.4275 8.9490 114.8353 58.3611 63.6314 175.3898 25 I 3.7226 8.3290 123.7113 64.8338 36.7855 179.0548 26 S 4.1558 8.3799 115.2075 61.5739 62.9692 176.2744 27 C 4.4021 8.1359 117.8387 60.2052 29.5039 175.9120 28 K 4.3368 8.2298 122.6655 59.5830 31.8327 178.6079 29 R 4.0130 8.3879 119.0300 59.4759 29.9750 178.0963 30 A 4.0650 8.5472 120.8756 55.2362 18.3966 179.3919 31 F 4.1557 8.7931 119.2700 61.7500 39.5723 177.2096 32 E 4.0640 9.1448 118.7114 59.0791 29.2240 179.2280 33 W 4.0213 8.8253 128.8583 60.8086 30.8317 178.0696 34 T 3.9493 8.2488 115.7221 66.7328 67.8146 176.5672 35 L 3.7010 7.6236 120.7223 57.5197 41.3711 179.2705 36 E 3.7082 7.9043 118.0561 59.0719 29.7541 178.3175 37 K 3.8818 7.7155 116.2959 57.1142 32.5694 178.1368 38 I 3.9571 6.8338 117.8497 63.0465 38.5235 177.7583 39 V 2.7890 7.2596 118.7250 66.0727 31.6373 175.9765 40 R 3.4834 8.1249 118.3593 57.5592 28.7828 177.6486 41 S 4.3435 8.6193 117.4321 60.4878 64.3370 174.8172 42 N 4.7689 7.9536 122.5781 52.6305 36.8534 176.1231 43 T 4.1757 7.6084 107.9112 63.7236 69.8998 176.4019 44 S 4.5146 7.9702 116.4865 59.2619 63.5982 174.2786 45 D 4.5067 8.1814 120.3308 54.9856 41.1524 175.7859 46 F 5.3145 7.8574 116.6447 55.3702 43.2628 174.0213 47 K 4.8125 9.4105 122.8226 54.8218 35.3447 174.7031 48 I 4.8024 8.8311 128.4859 60.0549 39.1129 174.6055 49 L 5.1660 9.1617 128.1409 53.2485 43.2819 176.0843 50 L 4.4590 9.2832 126.4841 53.1841 43.2613 175.6105 51 L 4.1702 8.1797 126.5945 52.9851 44.7843 174.2826 52 H 5.2362 8.3771 125.8861 53.5417 32.3240 172.7227 53 V 4.5010 8.0443 125.6395 61.5498 32.7861 174.3988 54 Q 4.4814 8.8744 129.9959 54.6904 30.2688 176.7083 55 V 3.4162 8.4076 125.4475 65.1697 31.9970 175.5197 *66 S 3.9341 7.7891 112.4255 58.0113 62.0076 172.0896 67 I 4.4352 7.7439 127.9072 59.3650 39.1934 174.9621 68 Y 4.3823 8.5579 121.6511 56.1433 39.9257 175.3376 69 A 4.7789 9.1787 126.3674 51.8226 21.2689 175.7199 70 S 4.7864 7.7966 108.8550 56.1226 66.1893 173.3483 71 P 4.5326 0.0000 0.0000 66.0695 31.5649 178.7943 72 E 4.0825 7.9468 118.2536 59.5208 29.0127 179.0466 73 D 4.3900 7.9135 117.7577 57.3132 40.8637 178.4708 74 F 4.4418 8.1177 117.2323 60.1663 39.0521 177.8321 75 R 4.2647 8.1091 116.9202 59.0484 30.1465 179.0440 76 D 4.4057 8.0084 115.7439 55.0675 40.4945 178.3070 *78 R 4.3816 7.9305 118.6808 55.9676 31.9521 176.2126 79 Q 4.4476 8.0342 115.6925 55.1744 29.4901 176.0734 80 S 4.3889 7.7571 114.7495 58.1281 65.0684 174.6616 81 N 4.4667 8.5812 118.6931 56.1763 38.1825 177.7043 82 K 4.0492 8.1163 119.2841 59.5411 32.2331 179.0691 83 A 3.9878 7.9374 120.3523 55.1935 18.3381 179.5219 84 K 4.1075 8.7323 117.6619 59.7961 32.1324 179.6069 85 G 3.4851 8.5778 105.8938 47.8769 0.0000 175.7859 86 L 4.0365 8.0346 122.2321 57.6591 41.6593 179.3213 87 H 4.1997 8.3277 116.1649 58.6592 28.3184 177.5918 88 L 3.9477 7.7946 121.7143 58.2325 41.9629 178.8719 89 L 4.1098 7.9440 118.8843 58.0499 41.6323 179.2528 90 E 3.9390 8.6297 119.4286 59.0724 29.4467 178.5013 91 F 3.9556 8.2177 120.7866 61.4869 39.3766 177.2055 92 F 3.6306 7.9173 116.9437 59.9891 38.5956 178.1138 93 V 3.6806 8.0955 118.3094 65.9468 31.2319 177.8762 94 N 4.3027 8.1703 116.3814 56.1205 38.3893 177.5202 95 K 3.8659 7.4708 119.5813 59.5916 32.1273 179.2242 96 C 4.3068 8.4538 117.0967 63.2127 28.1699 175.7099 97 H 4.2025 8.5850 120.0495 59.1943 29.1892 177.0816 98 E 4.0134 8.3295 120.1874 58.6862 29.4045 178.3781 99 I 4.3119 7.2300 109.1374 60.0911 38.1290 176.1651 100 G 3.7908 7.5967 107.8575 46.2485 0.0000 173.4107 101 V 4.1585 7.8216 119.9535 61.4509 32.2479 176.3467 102 G 4.0435 8.8090 115.4282 46.9793 0.0000 171.8148 103 C 5.5863 8.4962 116.4987 56.9347 33.2148 172.8992 104 E 4.9988 9.5749 118.7279 54.7163 33.2504 174.7085 105 A 5.4208 8.8657 124.6905 50.2014 22.4329 174.8297 106 W 5.1935 8.6455 117.6928 55.8011 32.4282 173.1261 107 I 5.0191 8.5823 120.1501 59.4958 39.3177 175.4863 108 K 4.8759 8.7549 124.6212 54.9936 36.0343 175.0860 109 T 4.8890 9.2833 117.8348 62.5931 71.0137 174.6788 110 G 3.5941 7.7708 110.1564 44.6422 0.0000 172.8977 111 D 4.3645 8.6198 121.2474 53.2915 42.0527 175.6144 112 P 4.1904 0.0000 0.0000 65.7820 31.4112 178.6480 113 K 3.9961 7.9313 116.7465 60.0219 32.4350 178.7209 114 D 4.3854 7.7126 119.6539 57.0825 40.8569 178.8359 115 V 3.8391 8.0213 120.3913 65.4535 31.4600 177.8484 116 I 3.7016 8.0744 120.0153 64.9391 37.0685 178.1905 117 C 4.2401 8.0726 116.8333 62.9426 27.4488 176.2314 118 Q 4.0958 8.4469 120.0190 59.0057 28.2922 178.6819 119 E 4.1605 8.9261 120.1072 59.1309 29.4961 179.2737 120 V 3.6574 8.1923 119.0274 66.0546 31.4199 178.1016 121 K 4.1529 7.8004 115.4542 58.7832 32.6259 178.6048 122 R 4.1300 7.4923 119.5935 59.0951 30.4254 177.8043 123 V 3.7738 8.3212 116.4348 62.7149 33.0387 175.7740 124 R 3.8812 7.9816 116.5640 56.5698 27.5253 173.8505 125 P 4.6242 0.0000 0.0000 62.3901 32.9540 177.0433 126 D 4.7975 8.8274 120.2157 57.2467 41.1712 176.5031 127 F 5.2546 7.9677 110.3491 55.5522 41.5080 173.3515 128 L 4.6610 9.3659 121.8655 53.3026 44.4373 174.8996 129 V 4.6786 8.2899 125.8365 61.3986 33.7851 174.6132 130 V 4.7824 8.2752 120.0755 59.3297 35.7577 175.7010 131 G 4.3813 8.6441 111.3123 46.8986 0.0000 172.3952 132 S 4.7632 8.1284 112.3144 57.4099 65.2934 175.1605 133 R 4.1037 8.9630 124.9569 56.3491 30.7909 176.2996 134 G 3.8521 8.0075 106.6127 46.7643 0.0000 174.1586 135 L 4.3771 7.9598 114.7314 54.3698 41.5034 177.8871 136 G 3.9264 7.5620 111.4205 46.6386 0.0000 175.8853 *145 T 4.2370 6.7745 109.7206 60.9789 71.5944 176.5049 146 V 3.6658 7.5401 120.1330 65.1167 32.2315 178.5416 147 S 4.1508 8.0801 113.2534 61.5969 62.7431 176.1339 148 A 4.0176 8.0017 123.9360 54.6511 18.1753 179.2247 149 F 4.0585 8.1140 119.2896 61.5579 39.4292 177.1622 150 C 4.1918 8.4127 116.4003 62.9442 27.7638 176.1883 151 V 3.5199 7.5074 118.4212 65.9777 31.1181 177.6604 152 K 3.9730 7.6490 117.9911 58.8427 32.1074 177.0643 153 H 4.5814 7.7114 113.9646 56.0339 30.8533 174.8791 154 A 4.1369 8.2879 122.1480 52.7248 18.7006 177.2229 155 E 4.6546 8.4864 121.1992 55.6531 30.0407 175.2301 156 C 4.8341 7.6401 111.1987 56.1673 33.3128 172.0689 157 P 4.3377 0.0000 0.0000 63.7179 32.0206 175.9682 158 V 5.2248 8.2469 122.5863 60.3018 34.9907 173.6390 *160 T 4.3304 8.3501 109.2183 61.8787 69.9395 173.2589 161 I 4.1984 8.3081 126.8817 59.2099 39.8334 175.4731 162 K 5.0314 8.2551 125.8766 54.2297 33.9202 176.7556 163 R 4.2393 8.3052 120.4844 55.6123 31.2026 176.7155 164 N 4.5054 9.0932 117.5917 53.0410 39.2670 176.3444 165 A 3.9991 8.7881 124.2426 55.4928 18.4548 179.0620 166 D 4.7029 8.0329 112.0338 54.0473 39.9395 176.3396 167 E 4.5877 7.9608 116.2920 56.1731 30.4032 175.8258 168 T 4.1844 7.5739 117.8014 62.5422 68.9318 173.1290 169 P 4.5176 0.0000 0.0000 61.8857 32.1614 176.5607 170 S 4.0881 8.7063 115.5287 60.8724 62.9972 173.9356 171 D 4.7000 7.8479 120.9727 51.7097 41.0986 174.9197 172 P 4.3407 0.0000 0.0000 64.9439 31.6557 177.9342 173 A 4.1151 8.2123 121.0031 54.7731 18.4791 178.0687 174 D 4.4919 7.7624 115.9339 54.7536 41.7723 176.0490 175 D 4.2131 8.2929 118.7161 54.7450 41.4959 174.6374 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 5 P 0.00 4.44 0.00 2.06 2.24 0.00 3.70 0.00 0.00 3.62 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 6 T 8.54 4.14 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 1.64 0.00 0.00 7 K 10.68 4.76 0.00 1.68 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 8 V 8.63 4.14 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 0.37 0.00 0.00 1.00 0.00 0.00 *10 V 8.12 4.15 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 0.89 0.00 0.00 0.94 0.00 0.00 11 A 8.56 4.78 1.18 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 0.00 0.00 12 V 8.64 4.47 1.70 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 -0.23 0.00 0.00 0.75 0.00 0.00 13 N 8.46 5.20 0.00 2.73 2.88 0.00 0.00 6.10 7.46 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 14 A 8.50 4.78 1.27 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 0.00 0.00 0.00 15 S 8.73 4.40 0.00 3.99 3.74 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 16 T 8.27 4.43 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 17 I 7.62 4.23 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.91 0.00 0.00 18 K 8.39 4.11 0.00 1.69 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 19 D 8.64 4.54 0.00 2.71 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 20 Y 8.48 4.55 0.00 2.90 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 21 P 0.00 4.79 0.00 1.98 1.86 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.00 22 N 7.78 4.09 0.00 2.79 2.60 0.00 0.00 6.83 7.93 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 23 P 0.00 4.78 0.00 2.24 2.01 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.00 24 S 8.95 4.43 0.00 4.12 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 0.00 25 I 8.33 3.72 2.01 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 1.57 0.74 1.00 0.00 0.00 26 S 8.38 4.16 0.00 4.15 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 27 C 8.14 4.40 0.00 3.33 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 28 K 8.23 4.34 0.00 2.14 2.08 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.63 1.56 7.81 29 R 8.39 4.01 0.00 2.17 2.19 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 30 A 8.55 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.79 4.16 0.00 3.28 3.62 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 32 E 9.14 4.06 0.00 2.21 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 0.00 2.69 2.95 0.00 33 W 8.83 4.02 0.00 3.54 3.41 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 34 T 8.25 3.95 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 1.22 0.00 0.00 35 L 7.62 3.70 0.00 1.62 1.51 0.62 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.90 3.71 0.00 1.91 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 2.13 2.23 0.00 37 K 7.72 3.88 0.00 0.79 1.13 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.36 0.21 7.81 38 I 6.83 3.96 1.77 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 0.95 0.67 0.00 0.00 39 V 7.26 2.79 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 0.99 0.00 0.00 0.53 0.00 0.00 40 R 8.12 3.48 0.00 1.90 1.67 0.00 3.22 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.00 41 S 8.62 4.34 0.00 3.97 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 42 N 7.95 4.77 0.00 3.12 2.94 0.00 0.00 6.67 7.17 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 43 T 7.61 4.18 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 1.25 0.00 0.00 44 S 7.97 4.51 0.00 3.89 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 45 D 8.18 4.51 0.00 2.94 2.32 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 46 F 7.86 5.31 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.41 4.81 0.00 1.78 1.65 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 48 I 8.83 4.80 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 1.07 0.00 0.00 49 L 9.16 5.17 0.00 1.60 2.06 1.04 1.22 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 50 L 9.28 4.46 0.00 1.46 1.39 1.01 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.18 4.17 0.00 0.72 1.06 0.50 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.38 5.24 0.00 3.20 3.05 0.00 5.86 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 53 V 8.04 4.50 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 0.85 0.00 0.00 0.85 0.00 0.00 54 Q 8.87 4.48 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 55 V 8.41 3.42 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 0.80 0.00 0.00 0.90 0.00 0.00 *66 S 7.79 3.93 0.00 3.85 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 67 I 7.74 4.44 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.89 0.00 0.00 68 Y 8.56 4.38 0.00 2.84 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 69 A 9.18 4.78 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 70 S 7.80 4.79 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 71 P 0.00 4.53 0.00 2.26 2.21 0.00 3.67 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 2.16 2.18 0.00 72 E 7.95 4.08 0.00 2.21 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 2.38 2.40 0.00 73 D 7.91 4.39 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.12 4.44 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.11 4.26 0.00 1.98 2.04 0.00 3.28 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 76 D 8.01 4.41 0.00 2.85 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 *78 R 7.93 4.38 0.00 2.19 2.20 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 79 Q 8.03 4.45 0.00 1.98 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.92 0.00 0.00 0.00 0.00 0.00 1.25 2.29 0.00 80 S 7.76 4.39 0.00 4.05 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 81 N 8.58 4.47 0.00 2.77 2.94 0.00 0.00 6.80 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 82 K 8.12 4.05 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.54 7.81 83 A 7.94 3.99 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 0.00 0.00 84 K 8.73 4.11 0.00 1.99 1.97 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.92 7.81 85 G 8.58 3.49 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 0.00 0.00 0.00 86 L 8.03 4.04 0.00 1.67 1.72 0.94 1.04 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 87 H 8.33 4.20 0.00 3.25 3.25 0.00 5.62 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 88 L 7.79 3.95 0.00 1.97 1.89 1.02 0.93 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 89 L 7.94 4.11 0.00 2.00 1.77 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.63 3.94 0.00 2.12 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 2.32 2.33 0.00 91 F 8.22 3.96 0.00 3.02 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 92 F 7.92 3.63 0.00 3.03 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 93 V 8.10 3.68 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 1.14 0.00 0.00 1.07 0.00 0.00 94 N 8.17 4.30 0.00 2.84 2.72 0.00 0.00 6.99 7.31 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 95 K 7.47 3.87 0.00 1.90 2.11 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.51 0.87 7.81 96 C 8.45 4.31 0.00 3.26 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 97 H 8.59 4.20 0.00 3.34 3.44 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 98 E 8.33 4.01 0.00 2.16 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 2.34 2.47 0.00 99 I 7.23 4.31 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 0.90 0.00 0.00 100 G 7.60 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 0.00 0.00 0.00 101 V 7.82 4.16 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 0.82 0.00 0.00 0.93 0.00 0.00 102 G 8.81 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.50 5.59 0.00 3.13 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 0.00 104 E 9.57 5.00 0.00 2.11 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 0.00 2.29 2.32 0.00 105 A 8.87 5.42 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 0.00 106 W 8.65 5.19 0.00 3.46 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 0.00 107 I 8.58 5.02 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 1.00 0.00 0.00 108 K 8.75 4.88 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.72 2.03 7.81 109 T 9.28 4.89 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 1.24 0.00 0.00 110 G 7.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.62 4.36 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.19 0.00 2.13 2.04 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 113 K 7.93 4.00 0.00 1.58 1.94 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.58 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.28 1.12 7.81 114 D 7.71 4.39 0.00 2.79 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 0.00 115 V 8.02 3.84 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 1.04 0.00 0.00 116 I 8.07 3.70 2.07 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 1.49 0.77 0.95 0.00 0.00 117 C 8.07 4.24 0.00 3.29 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 0.00 118 Q 8.45 4.10 0.00 2.29 2.20 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 2.42 2.64 0.00 119 E 8.93 4.16 0.00 2.23 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 2.58 2.62 0.00 120 V 8.19 3.66 2.29 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 1.10 0.00 0.00 1.05 0.00 0.00 121 K 7.80 4.15 0.00 1.99 2.09 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.79 1.47 7.81 122 R 7.49 4.13 0.00 2.00 2.17 0.00 3.24 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 123 V 8.32 3.77 2.34 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 1.00 0.00 0.00 0.96 0.00 0.00 124 R 7.98 3.88 0.00 2.00 1.96 0.00 3.23 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 125 P 0.00 4.62 0.00 2.36 2.11 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 D 8.83 4.80 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.97 5.25 0.00 3.21 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 0.00 128 L 9.37 4.66 0.00 1.78 1.76 0.92 1.00 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 0.00 129 V 8.29 4.68 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 1.04 0.00 0.00 1.05 0.00 0.00 130 V 8.28 4.78 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 0.78 0.00 0.00 0.95 0.00 0.00 131 G 8.64 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 0.00 0.00 0.00 0.00 132 S 8.13 4.76 0.00 3.85 3.62 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 0.00 133 R 8.96 4.10 0.00 1.84 2.13 0.00 3.61 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 134 G 8.01 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 0.00 135 L 7.96 4.38 0.00 1.63 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.56 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 0.00 0.00 0.00 *145 T 6.77 4.24 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 1.20 0.00 0.00 146 V 7.54 3.67 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 1.09 0.00 0.00 0.90 0.00 0.00 147 S 8.08 4.15 0.00 4.09 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 0.00 148 A 8.00 4.02 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 0.00 149 F 8.11 4.06 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.41 4.19 0.00 3.22 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 0.00 151 V 7.51 3.52 2.20 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 0.76 0.00 0.00 0.96 0.00 0.00 152 K 7.65 3.97 0.00 1.67 1.78 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.77 1.22 7.81 153 H 7.71 4.58 0.00 2.70 3.01 0.00 5.72 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 0.00 154 A 8.29 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.49 4.65 0.00 1.99 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 2.26 2.30 0.00 156 C 7.64 4.83 0.00 3.17 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 0.00 157 P 0.00 4.34 0.00 2.22 2.04 0.00 3.88 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 2.18 2.14 0.00 158 V 8.25 5.22 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 1.11 0.00 0.00 1.04 0.00 0.00 *160 T 8.35 4.33 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 0.00 161 I 8.31 4.20 1.73 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.70 0.52 0.00 0.00 162 K 8.26 5.03 0.00 1.56 1.69 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.23 7.81 163 R 8.31 4.24 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 164 N 9.09 4.51 0.00 2.86 2.77 0.00 0.00 7.17 8.90 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 0.00 165 A 8.79 4.00 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 0.00 166 D 8.03 4.70 0.00 2.81 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 0.00 167 E 7.96 4.59 0.00 2.10 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 2.39 2.25 0.00 168 T 7.57 4.18 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 169 P 0.00 4.52 0.00 2.21 1.98 0.00 3.70 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 2.24 2.07 0.00 170 S 8.71 4.09 0.00 3.97 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 0.00 171 D 7.85 4.70 0.00 2.69 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 0.00 172 P 0.00 4.34 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 173 A 8.21 4.12 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 0.00 174 D 7.76 4.49 0.00 2.88 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 0.00 175 D 8.29 4.21 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.