NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.1402 8.1449 121.6727 57.2379 39.8134 174.4276 7 E 4.2614 7.5739 126.1394 54.4220 29.7971 174.3886 8 Y 5.2915 9.1840 122.6322 56.6079 40.0593 175.7528 9 L 4.3518 9.3234 121.0712 57.2526 42.0135 177.9694 10 V 4.5612 7.4206 109.0613 58.6680 35.8450 172.5537 11 P 4.2648 0.0000 0.0000 62.7510 31.8716 175.7377 12 P 4.0210 0.0000 0.0000 65.9269 30.8222 178.4760 13 D 4.3266 7.9820 116.9398 57.4520 40.8366 178.2395 14 D 4.5052 7.9592 119.2351 57.6303 40.3972 178.5692 15 Y 4.2157 7.7207 116.3216 61.3009 37.9277 178.5626 16 L 4.0960 8.4622 119.9521 57.9108 41.4899 179.5936 17 A 4.0307 8.9839 120.5145 54.8208 18.3645 179.0511 18 A 4.1883 7.8229 118.0654 52.7227 18.8678 178.1178 19 G 3.7572 7.9050 105.4356 46.4935 0.0000 176.4042 20 V 3.7324 7.6122 115.4995 63.7994 31.8575 178.0122 21 H 4.3625 8.0979 114.1454 56.9055 28.9970 174.7205 22 I 4.1109 7.1454 121.1389 61.0274 36.1157 176.5205 23 G 4.3730 8.9941 117.6151 45.9461 0.0000 169.3942 24 T 4.8643 8.1612 111.7375 60.6080 72.0966 175.7350 25 Q 4.7905 8.6790 126.8796 56.3328 29.8603 176.6074 26 I 4.8863 8.0413 117.1995 58.9367 40.8484 174.8178 27 K 5.2958 8.8676 122.6897 54.1490 35.2151 175.0346 28 T 4.6419 7.9140 109.1866 59.2975 71.5554 174.4793 29 G 3.7396 8.6415 111.0750 49.0171 0.0000 176.0455 30 D 4.5035 7.2302 114.9045 54.2857 40.3853 177.7286 *32 K 4.2800 8.2491 120.8214 56.3329 33.7971 178.2038 33 K 3.9352 7.8507 115.3210 58.4258 32.5159 177.0020 34 F 4.7764 7.6918 117.1254 57.7195 40.9593 174.7970 35 I 4.4350 7.3982 121.6080 61.0480 36.5516 176.0307 36 F 4.2800 9.6495 131.8496 61.0118 40.0406 174.6749 37 K 4.4544 7.7276 115.1691 56.7016 35.7294 173.8527 38 V 4.6020 8.4328 119.8078 61.0288 33.0678 175.5599 39 R 4.3012 8.3745 124.2761 55.1715 30.4021 177.3801 40 Q 3.9342 8.8290 117.5379 59.7328 28.1480 178.1611 41 D 4.4147 7.9620 113.9816 53.5690 39.3076 177.0051 42 G 3.8139 8.3440 108.9241 45.3857 0.0000 173.7140 43 L 4.4788 8.3214 120.8643 54.0912 43.3782 175.9896 44 Y 4.7340 9.1130 121.2344 57.9484 39.5952 174.5491 45 V 4.9461 8.8856 123.2106 61.3091 33.8276 174.7110 46 L 4.8515 8.7725 128.4245 53.9656 43.2802 177.4211 47 D 4.5362 9.2430 122.3896 53.7669 41.1048 177.0664 48 I 3.5152 8.2127 128.9624 63.8408 37.0386 178.3962 49 R 3.3303 8.5405 119.7440 58.9893 29.8812 179.0140 50 K 4.0114 8.0252 117.8016 59.2163 32.0665 178.9099 51 L 3.8149 7.8205 120.7209 58.1497 41.7369 178.5598 52 D 4.4041 7.8158 117.7030 57.3602 41.1853 177.9854 53 E 4.1358 8.2513 119.0228 59.7166 29.4604 179.6098 54 R 3.9217 8.3710 118.3176 59.3158 30.0263 179.1604 55 I 3.6467 7.9844 119.6580 64.3620 37.1251 178.6129 56 R 3.9207 7.9713 118.7279 59.3836 29.8988 179.3618 57 V 3.5915 7.9765 117.6734 65.9909 31.5819 177.8791 58 A 4.0484 8.9514 121.5176 54.9866 18.1557 179.5974 59 A 4.0041 8.3147 119.5685 55.1905 18.3348 179.7162 60 K 3.8820 7.8013 116.8904 59.5991 32.0945 178.4590 61 F 4.4349 8.6785 121.2659 61.4860 39.2579 177.1904 62 L 4.1454 8.2720 118.5832 57.3414 41.1928 179.3636 63 S 4.2436 7.8953 113.3586 60.7770 63.1621 175.9869 64 R 4.0113 7.3993 119.5473 56.7835 30.0528 175.8516 65 Y 4.5384 6.6890 116.5561 55.9411 40.0097 174.8218 66 E 4.2190 8.7309 122.6559 55.4152 30.3540 175.4641 67 P 4.2686 0.0000 0.0000 65.8949 31.5326 178.4808 68 S 4.2051 8.0941 110.3279 60.4274 63.1418 174.7266 69 K 4.3354 8.7297 120.4888 56.4321 32.4224 175.4333 70 I 4.7335 7.7512 121.4936 59.4327 39.6710 174.4360 71 L 5.2401 8.4852 127.3805 53.3777 44.9194 175.0832 72 L 4.9528 9.1796 127.2380 53.8011 43.8522 176.0026 73 V 4.8667 8.4988 121.9288 61.1129 35.0306 174.4185 74 A 4.9090 8.6915 129.0733 51.4305 21.5170 176.4666 75 A 4.4242 9.0193 125.4790 53.1616 19.6957 177.4881 76 R 4.0034 7.8888 117.5078 55.9728 30.5640 176.3418 77 Q 3.5093 8.9633 127.1095 59.6661 28.8613 178.1495 78 Y 4.6496 7.8064 111.3179 59.3442 38.2013 176.4676 79 A 4.4703 8.3623 122.3501 53.2705 19.5637 178.7199 80 H 3.9621 7.8289 115.3008 59.0367 28.6037 177.2767 81 K 3.7134 7.9542 119.0468 59.2888 32.1120 176.2783 82 P 4.4025 0.0000 0.0000 65.6780 31.4827 178.4563 83 V 3.2728 7.4584 117.0810 65.6628 31.3093 178.3041 84 Q 3.2656 7.5680 113.7682 56.6691 28.1088 177.7854 *86 F 4.9113 7.9549 124.5223 58.5411 41.4477 177.3447 87 S 4.8400 8.4081 118.2125 60.8919 62.3260 176.3616 88 K 3.8662 8.1678 121.7858 59.5619 31.9538 178.7847 89 V 3.8296 7.5721 116.4508 66.2821 31.8465 177.8832 90 V 3.7052 7.8803 117.0348 63.6663 31.3139 176.3807 91 G 3.8753 8.5655 106.4498 45.9748 0.0000 173.3282 92 S 5.0218 7.9620 113.3306 57.0257 65.6344 172.6236 93 D 5.1040 8.8648 121.0204 54.3561 42.5371 174.5267 94 Y 5.3559 7.7676 119.7648 56.2939 41.5215 174.7879 95 I 4.4620 9.0285 120.9389 60.2284 40.1857 174.5160 96 V 4.7259 7.9770 119.7008 60.2338 33.7584 177.0903 97 G 3.7726 8.3569 108.4682 44.1281 0.0000 171.8441 98 R 3.9499 8.2505 119.8805 55.9589 30.6073 176.7529 99 F 4.3743 8.7792 127.9700 57.0629 39.7941 174.9536 100 I 3.7733 7.8035 129.9482 60.3163 37.2718 173.9718 101 P 4.6850 0.0000 0.0000 64.4678 31.6699 176.7514 102 G 4.1062 10.3536 111.5934 45.0582 0.0000 175.3120 103 T 3.7013 7.7937 116.8145 66.1302 68.4295 175.2473 104 L 4.8016 8.4588 117.9545 54.6605 41.9311 176.7436 105 T 4.7230 8.6166 107.2332 60.8508 70.2777 172.7901 106 N 4.7255 8.0523 120.2663 50.7630 39.5274 172.7658 107 P 2.9700 0.0000 0.0000 61.1478 31.3297 176.7300 *109 L 4.1064 7.6690 116.5686 54.5717 42.9896 178.6590 110 S 4.1469 8.0916 115.1630 60.8714 62.4730 174.8123 111 E 4.3214 7.9737 117.2405 55.9058 29.6075 175.4962 112 Y 4.4805 7.2629 120.5804 58.5098 39.1820 175.8249 113 R 4.4335 7.6808 123.7123 54.7733 34.8385 175.0194 114 E 4.5016 7.9881 116.9773 54.3234 29.8439 173.2948 115 P 4.5004 0.0000 0.0000 62.8602 32.7459 176.6026 116 E 4.6881 8.7243 117.5811 56.8098 31.1111 176.8522 117 V 4.6228 7.1960 117.7659 60.2361 35.0585 173.3396 118 V 4.8349 8.8054 121.9797 61.1593 34.9835 173.9789 119 F 5.5295 9.3824 130.2361 56.9075 41.3123 174.2431 120 V 4.6517 8.9078 120.3162 60.1175 33.2707 177.0545 121 N 4.4815 8.7837 122.3324 56.2804 39.8200 175.3219 122 D 4.6073 8.7035 118.8187 52.1582 44.1227 173.7449 123 P 4.2061 0.0000 0.0000 65.7272 31.9391 178.2705 124 A 4.1537 8.5319 120.1342 55.0500 18.3311 179.4954 125 I 3.7034 7.9272 116.5349 63.9710 37.7518 177.5859 126 D 4.8917 8.3528 119.6124 53.8663 42.0973 179.0233 127 K 3.9800 7.8027 122.0389 60.2414 32.4542 177.6629 128 Q 3.9042 8.0035 119.8895 58.9085 29.0227 178.1082 129 A 3.1935 7.2718 121.1630 54.7465 18.2998 179.5646 130 V 3.4760 7.4157 116.2795 66.1997 31.5967 178.0788 131 S 4.2746 8.2313 115.0770 62.0905 62.6660 176.8526 132 E 4.2764 8.3339 120.4575 59.0569 29.0518 179.4143 133 A 4.0714 8.0440 121.2777 55.2961 18.4286 179.7593 134 T 3.8086 8.6517 115.0016 66.7501 68.2863 176.8354 135 A 4.0329 8.4195 122.2068 54.4219 18.5101 178.8745 136 V 4.0766 7.5649 114.2671 62.3055 31.9123 176.0804 137 G 3.8573 7.5978 105.5153 47.2736 0.0000 173.1930 138 I 4.4807 7.8516 120.9661 58.6561 38.4124 174.4749 139 P 4.6586 0.0000 0.0000 63.1351 32.7747 175.0828 140 V 4.9009 9.7134 122.6391 61.2159 34.1122 174.1656 141 V 4.8616 9.2126 127.8336 61.2060 33.9611 174.1618 142 A 5.9400 8.5868 127.5777 50.3981 23.0747 175.0385 143 L 4.5946 8.6951 121.0968 54.6535 42.9395 176.2730 144 C 4.9327 8.8745 121.2204 58.0816 31.9814 173.8294 145 D 5.2522 9.3379 124.2894 52.1327 42.7938 177.1585 146 S 4.1882 8.7808 114.1136 60.8580 62.9274 175.3420 147 N 4.7299 8.0535 115.8308 53.1277 37.7857 174.6616 148 N 4.7439 7.7891 116.8672 52.5463 39.9518 174.1596 149 S 4.7697 8.3336 114.6820 56.9455 64.3381 173.9139 150 S 4.6483 8.5110 119.3884 58.0942 63.1644 175.7672 151 A 3.9269 7.5706 124.8406 55.8457 17.9716 179.7823 152 D 4.8788 7.9453 112.1060 53.9956 41.4134 176.1646 153 V 4.2755 7.7937 119.7724 61.6405 32.8122 175.2803 154 D 4.5665 8.9719 127.4075 55.7507 42.1641 176.2340 155 L 4.4752 7.6267 120.7654 53.0132 44.6510 175.3775 156 V 4.2237 8.3087 126.8881 62.2940 32.6796 175.6195 157 I 4.2419 8.4225 129.5714 58.2830 38.5544 172.1202 158 P 4.4733 0.0000 0.0000 63.7086 31.4863 175.5400 159 T 4.3199 8.2065 117.7117 60.9063 71.6767 171.5406 160 N 4.9288 8.9338 125.3373 53.4262 39.4504 174.3357 161 N 5.1248 8.9299 120.9522 52.3357 38.3459 174.6916 162 K 4.4917 8.4074 118.9010 57.4655 34.6702 177.7575 163 G 3.7332 9.3638 107.7807 44.4027 0.0000 174.0827 164 R 3.4850 8.5703 125.6561 59.6483 29.9242 178.7826 165 R 3.9588 7.7872 116.7602 58.6931 30.3601 178.6355 166 A 4.0056 7.8771 120.1730 55.1786 18.5227 179.3997 167 L 4.0764 8.5813 117.6274 57.9075 41.8157 179.5087 168 A 4.1970 7.7670 119.9257 55.5232 18.3675 179.6131 169 I 3.7578 7.8452 117.0351 64.1561 38.1645 178.3122 170 V 3.7378 7.9648 119.1018 66.3318 31.4095 177.7245 171 Y 4.4244 8.3349 116.4944 60.4572 37.7302 178.0608 172 W 2.9531 8.2811 129.1514 60.0508 30.7664 177.9344 173 L 3.4651 8.2392 118.8840 57.6433 41.0919 179.3892 174 L 3.9896 7.8914 118.1432 57.9009 41.6346 179.3445 175 A 3.6873 8.1249 120.4333 55.1218 18.2501 179.5011 176 R 2.0000 7.3038 117.1598 59.0855 29.9151 178.5746 177 E 3.7697 8.0221 118.5533 59.3575 29.5259 179.4914 178 I 3.6532 7.7837 119.6798 64.1653 37.1614 178.2979 179 A 3.9512 7.9288 121.7578 54.8935 18.1300 179.3594 180 K 3.7066 7.9964 118.2028 59.9989 32.0594 178.7455 181 I 3.5498 7.5082 118.4421 64.5842 37.1466 177.8949 182 R 4.2429 7.7511 115.9777 55.7891 30.3480 176.5737 183 G 3.8120 8.4840 107.2645 46.6108 0.0000 173.2298 184 Q 4.4465 8.2987 120.5283 53.5253 30.4845 174.4260 185 D 4.3091 8.7158 124.9334 54.3105 41.4422 174.9087 186 F 4.7186 8.8232 129.5729 56.8227 40.3514 174.5252 187 T 4.1457 7.4445 117.9141 62.2505 70.0954 174.3177 188 Y 4.5554 6.2494 119.2183 57.7208 38.8679 173.9790 189 S 5.0034 9.8081 115.0802 55.7724 66.5790 175.0854 190 I 3.0925 7.2397 120.3733 64.4733 36.2659 178.5071 191 E 4.0145 7.4024 118.0243 59.2424 29.3128 178.7187 192 D 4.5419 8.0909 117.9694 56.4893 40.9846 177.8181 193 F 4.3042 8.1811 116.7852 57.8662 40.0267 176.0174 194 E 4.0387 7.5962 118.4714 55.6551 30.0488 176.3506 195 A 4.1945 8.2077 127.9464 52.0051 19.2089 177.3521 196 E 4.2416 8.3972 120.3709 55.6449 30.4707 176.5549 197 L 4.1587 8.2788 123.4094 55.6423 42.9708 176.4822 198 E 4.1004 8.9377 125.2038 56.8098 30.4957 173.6922 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 Y 8.14 4.14 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.57 4.26 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 8 Y 9.18 5.29 0.00 3.22 3.33 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 9 L 9.32 4.35 0.00 1.80 1.78 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.42 4.56 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 0.83 0.00 0.00 0.28 0.00 0.00 11 P 0.00 4.26 0.00 2.39 1.98 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 12 P 0.00 4.02 0.00 1.98 1.67 0.00 3.56 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 2.03 1.13 0.00 13 D 7.98 4.33 0.00 2.63 2.68 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 14 D 7.96 4.51 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.72 4.22 0.00 3.11 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 16 L 8.46 4.10 0.00 1.77 1.70 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.98 4.03 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 18 A 7.82 4.19 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 19 G 7.91 3.76 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 0.00 0.00 0.00 20 V 7.61 3.73 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 0.86 0.00 0.00 0.97 0.00 0.00 21 H 8.10 4.36 0.00 3.43 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.15 4.11 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.89 0.00 0.00 23 G 8.99 4.37 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 0.00 24 T 8.16 4.86 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 25 Q 8.68 4.79 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 26 I 8.04 4.89 1.95 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 1.44 0.85 0.95 0.00 0.00 27 K 8.87 5.30 0.00 1.35 0.74 0.00 0.74 0.00 0.00 1.31 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.98 1.11 7.81 28 T 7.91 4.64 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 1.23 0.00 0.00 29 G 8.64 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 0.00 0.00 0.00 30 D 7.23 4.50 0.00 2.70 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 *32 K 8.25 4.28 0.00 1.85 1.80 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.60 7.81 33 K 7.85 3.94 0.00 1.38 1.65 0.00 0.75 0.00 0.00 0.71 0.00 0.00 2.68 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 0.26 7.81 34 F 7.69 4.78 0.00 3.18 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 35 I 7.40 4.44 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 1.05 0.00 0.00 36 F 9.65 4.28 0.00 3.07 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 37 K 7.73 4.45 0.00 1.93 2.00 0.00 1.65 0.00 0.00 2.08 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.97 1.60 7.81 38 V 8.43 4.60 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 0.54 0.00 0.00 1.16 0.00 0.00 39 R 8.37 4.30 0.00 2.08 2.07 0.00 2.88 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 40 Q 8.83 3.93 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 41 D 7.96 4.41 0.00 2.77 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 42 G 8.34 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 43 L 8.32 4.48 0.00 1.62 1.58 0.93 0.90 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 44 Y 9.11 4.73 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 45 V 8.89 4.95 2.36 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 0.97 0.00 0.00 1.01 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0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.90 4.24 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.40 4.01 0.00 1.57 1.71 0.00 3.03 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 65 Y 6.69 4.54 0.00 2.99 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 66 E 8.73 4.22 0.00 2.10 1.88 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 2.40 2.42 0.00 67 P 0.00 4.27 0.00 2.27 2.40 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 68 S 8.09 4.21 0.00 3.98 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 69 K 8.73 4.34 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.79 7.81 70 I 7.75 4.73 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.77 1.04 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.21 0.00 2.08 2.11 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 124 A 8.53 4.15 1.36 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 0.00 0.00 0.00 125 I 7.93 3.70 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 1.64 0.85 0.92 0.00 0.00 126 D 8.35 4.89 0.00 2.73 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 0.00 127 K 7.80 3.98 0.00 2.00 2.25 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.44 7.81 128 Q 8.00 3.90 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.66 2.89 0.00 129 A 7.27 3.19 0.54 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 0.00 130 V 7.42 3.48 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 131 S 8.23 4.27 0.00 4.06 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 0.00 132 E 8.33 4.28 0.00 2.15 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 0.00 2.43 2.54 0.00 133 A 8.04 4.07 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 0.00 134 T 8.65 3.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 135 A 8.42 4.03 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 0.00 136 V 7.56 4.08 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 0.91 0.00 0.00 1.06 0.00 0.00 137 G 7.60 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 0.00 138 I 7.85 4.48 1.89 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 1.31 0.66 0.92 0.00 0.00 139 P 0.00 4.66 0.00 2.32 2.32 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 140 V 9.71 4.90 2.23 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 0.92 0.00 0.00 0.94 0.00 0.00 141 V 9.21 4.86 1.89 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 0.46 0.00 0.00 0.99 0.00 0.00 142 A 8.59 5.94 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 0.00 143 L 8.70 4.59 0.00 1.86 1.61 0.66 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.87 4.93 0.00 2.68 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 0.00 145 D 9.34 5.25 0.00 2.97 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 0.00 146 S 8.78 4.19 0.00 4.00 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 0.00 147 N 8.05 4.73 0.00 2.86 3.01 0.00 0.00 6.02 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.79 4.74 0.00 2.99 2.78 0.00 0.00 6.75 6.85 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 0.00 149 S 8.33 4.77 0.00 3.81 3.73 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 0.00 150 S 8.51 4.65 0.00 4.02 4.07 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 0.00 151 A 7.57 3.93 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 0.00 152 D 7.95 4.88 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.79 4.28 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 0.82 0.00 0.00 0.93 0.00 0.00 154 D 8.97 4.57 0.00 2.69 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 0.00 155 L 7.63 4.48 0.00 1.46 1.34 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.31 4.22 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 0.47 0.00 0.00 0.94 0.00 0.00 157 I 8.42 4.24 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.81 0.00 0.00 158 P 0.00 4.47 0.00 1.83 1.00 0.00 3.50 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 159 T 8.21 4.32 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 1.23 0.00 0.00 160 N 8.93 4.93 0.00 2.93 2.76 0.00 0.00 6.93 7.76 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 0.00 161 N 8.93 5.12 0.00 2.86 2.83 0.00 0.00 5.98 7.13 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 0.00 162 K 8.41 4.49 0.00 1.80 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.43 7.81 163 G 9.36 3.73 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 0.00 0.00 0.00 164 R 8.57 3.49 0.00 0.67 1.44 0.00 2.55 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 0.00 165 R 7.79 3.96 0.00 1.96 1.91 0.00 3.14 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 166 A 7.88 4.01 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 0.00 167 L 8.58 4.08 0.00 1.81 2.01 1.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.77 4.20 1.52 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 0.00 0.00 169 I 7.85 3.76 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 1.13 0.00 0.00 170 V 7.96 3.74 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 0.91 0.00 0.00 1.10 0.00 0.00 171 Y 8.33 4.42 0.00 3.50 3.39 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 0.00 172 W 8.28 2.95 0.00 3.05 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 0.00 173 L 8.24 3.47 0.00 2.00 1.72 1.08 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.89 3.99 0.00 2.33 2.20 1.10 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.12 3.69 1.57 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 0.00 0.00 176 R 7.30 2.00 0.00 0.67 1.15 0.00 2.80 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 0.00 177 E 8.02 3.77 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 178 I 7.78 3.65 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.86 0.00 0.00 179 A 7.93 3.95 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 0.00 180 K 8.00 3.71 0.00 1.78 1.90 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 181 I 7.51 3.55 1.99 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 1.49 0.87 0.89 0.00 0.00 182 R 7.75 4.24 0.00 1.96 1.97 0.00 3.26 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 183 G 8.48 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 0.00 184 Q 8.30 4.45 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 185 D 8.72 4.31 0.00 2.66 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 0.00 186 F 8.82 4.72 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.44 4.15 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 1.04 0.00 0.00 188 Y 6.25 4.56 0.00 3.14 3.29 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 0.00 189 S 9.81 5.00 0.00 3.79 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 0.00 190 I 7.24 3.09 1.44 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.36 0.70 0.00 0.00 191 E 7.40 4.01 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 192 D 8.09 4.54 0.00 3.11 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 0.00 193 F 8.18 4.30 0.00 3.19 3.29 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 0.00 194 E 7.60 4.04 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 195 A 8.21 4.19 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 0.00 196 E 8.40 4.24 0.00 1.96 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 2.31 2.35 0.00 197 L 8.28 4.16 0.00 1.60 1.59 1.01 0.93 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 0.00 198 E 8.94 4.10 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.