NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3181 8.3149 120.1616 55.9826 34.4757 175.8814 3 N 4.8233 7.8468 115.5086 49.6657 40.0579 174.1615 4 D 4.1177 8.5664 119.8056 56.3277 40.1948 177.1805 5 T 4.0742 7.7422 107.6564 61.5341 69.3305 175.1080 6 A 3.9964 7.8859 125.6558 52.5788 19.8897 178.3406 7 A 3.8827 8.6594 125.7828 55.1756 18.5264 179.7534 8 L 3.9551 7.9890 117.9944 58.3308 42.1800 178.9327 9 A 3.1315 7.3471 119.7680 54.7597 18.0886 179.3145 10 A 3.8030 7.3948 119.3576 55.2451 18.3413 179.4303 11 D 4.4483 8.5577 117.7831 57.7025 40.8836 179.2663 12 I 3.0495 7.5422 120.0211 64.1251 36.9661 178.7037 13 V 3.5627 7.5848 119.0023 66.0359 31.3422 177.5794 14 D 4.4411 8.5349 119.0955 57.4785 40.7478 178.5392 15 F 4.2436 8.6776 121.1310 61.2062 39.4070 176.9232 16 W 4.1296 8.7428 127.8685 60.5348 30.2752 178.0466 17 K 4.2475 8.3951 117.4836 59.4292 31.5748 178.9496 18 K 3.9877 8.0627 118.6958 59.2766 32.1796 178.4160 19 A 3.7235 7.4531 120.1012 53.4626 18.6169 178.7626 20 G 2.8663 7.4067 105.4293 43.7166 0.0000 172.6476 21 P 2.9748 0.0000 0.0000 64.9998 30.6046 177.7192 22 D 4.1087 7.4155 116.9840 57.1076 40.9465 177.6555 23 K 3.7061 6.9371 117.0593 57.6525 32.5639 178.6488 24 W 4.0489 6.7358 118.0646 58.5855 28.8810 176.8021 25 F 5.2050 7.4865 114.1506 56.9053 39.2420 174.5942 26 D 4.5452 7.8467 120.4630 52.2872 43.2444 174.7546 27 K 3.8532 8.7093 127.8359 57.3540 32.7042 176.0821 28 D 4.4854 8.5299 123.7718 52.3894 43.9870 175.7415 29 A 4.2376 8.8249 129.7320 55.0373 18.3904 178.9482 30 A 3.9582 8.2066 119.2137 55.3080 18.4927 179.4424 31 F 4.2547 8.1548 117.8416 61.4513 39.4065 177.0109 32 D 4.2725 8.2549 118.5870 57.4471 40.6011 178.4589 33 N 4.2677 8.3301 116.9759 56.6343 38.5982 176.9189 34 H 4.2276 8.5164 119.6986 59.2850 30.0306 176.9785 35 F 4.0944 8.3609 122.8488 61.5702 39.2143 176.5531 36 H 4.1587 8.3105 117.8889 59.2610 29.4571 176.5135 37 D 4.3453 8.2425 119.0114 57.5245 41.0584 178.4346 38 R 3.6612 7.5742 116.9810 58.4744 30.1567 177.6951 39 F 5.1178 7.7771 114.1003 56.6624 40.7805 176.7934 40 R 3.6424 8.1851 123.1766 59.8347 29.7025 178.2434 41 D 4.4115 8.1250 117.6503 57.3379 40.7760 178.4467 42 A 3.9181 8.0009 120.7525 55.2719 18.3381 178.7682 43 H 3.5765 7.9400 116.8228 59.5135 29.7668 177.5055 44 F 3.8108 8.0534 118.9070 60.1707 38.6905 177.5566 45 A 4.0112 8.1782 120.3058 55.0685 18.2076 179.4130 46 A 3.6800 7.9007 119.2033 55.3662 18.2335 179.8333 47 A 3.9042 7.7005 117.7399 54.7377 18.4317 179.0661 48 R 4.1781 7.6948 114.2906 55.6490 30.4833 176.5067 49 R 4.1296 7.5585 116.1557 57.2999 27.7496 177.0383 50 E 4.2937 8.0960 117.6499 57.1555 30.2573 177.4209 51 L 4.2541 7.2543 118.2540 54.1147 41.9493 178.0474 52 D 4.2057 8.1814 122.1625 57.2369 40.6361 178.4731 53 G 3.8593 8.1252 105.6554 47.2976 0.0000 175.2500 54 W 4.4260 8.3679 120.9600 59.0448 28.7618 178.0636 55 L 4.5107 7.6832 119.7975 56.6765 41.0021 178.5272 56 E 4.1874 8.3059 119.0875 57.1959 30.1417 176.6861 57 G 4.1638 7.5529 105.9998 42.2942 0.0000 173.9881 58 A 3.5811 8.3422 123.8652 55.1598 18.5100 180.3491 59 E 3.9423 8.0359 116.8123 59.3310 29.6724 179.5858 60 S 3.7295 7.8154 114.0308 61.2859 63.1636 176.6567 61 S 4.2869 8.2285 118.9301 61.1164 62.3596 176.0224 62 L 3.1811 8.0738 122.2160 58.0470 41.9413 178.4646 63 A 4.0175 8.0168 120.5868 55.1193 18.2094 180.2684 64 L 4.1181 7.7719 115.0631 55.5999 41.9596 179.3053 *66 L 3.8106 7.9154 121.0578 54.7057 43.4786 179.3970 67 L 4.0608 8.1446 117.7808 56.8869 41.6362 177.9063 68 L 4.5345 7.9281 116.4653 54.7681 43.2161 176.5167 69 D 4.8076 8.0601 116.8244 55.8053 43.2414 177.9135 70 Q 4.2289 8.0629 117.4279 58.7373 28.9973 177.5053 71 F 3.2120 8.5125 122.0812 61.0704 39.2514 175.6667 72 P 3.7323 0.0000 0.0000 65.4437 30.9234 178.7977 73 R 3.9711 7.7659 116.1088 58.7764 30.0233 178.3181 74 N 4.5837 7.9685 115.3424 55.2882 39.0089 175.5448 75 C 4.3278 7.4841 115.0132 59.3586 29.4618 174.2736 76 F 5.2071 7.6660 118.9769 56.7222 39.4634 175.1734 77 R 3.8062 8.1361 118.9803 58.1634 30.1891 177.3204 78 G 3.9877 9.0376 109.1269 45.7941 0.0000 172.8374 79 T 4.6982 7.3051 107.6963 59.0972 71.7838 174.2195 80 A 4.1705 8.4689 124.3738 55.0941 19.1309 178.6069 81 H 4.2477 7.4825 116.1186 56.0665 27.0822 176.2861 *83 Y 5.0525 7.8582 115.2614 57.4774 40.1952 177.7848 84 A 4.0618 7.7814 123.4372 54.7068 18.6792 178.4758 85 T 4.4993 7.7748 103.7138 61.7443 69.0635 176.0578 86 D 4.3726 8.2900 124.6280 57.5134 40.8021 176.7299 87 P 4.2856 0.0000 0.0000 65.4646 31.2241 178.4088 88 L 3.6966 7.7892 118.3958 57.9228 42.0793 178.5556 89 A 4.0427 8.2475 121.0988 55.3918 18.2322 179.8807 90 R 3.5134 8.1513 116.5692 59.1031 30.1934 179.0424 91 F 4.1609 8.2537 120.4195 61.4817 39.3679 177.2743 92 F 4.4905 8.4899 117.4675 60.3644 38.5662 177.4920 93 A 4.2362 8.7424 120.8877 55.2888 18.1713 178.9076 94 D 4.5412 8.4476 116.6895 57.8181 41.3650 178.3138 95 E 3.8308 8.0584 119.1208 59.1530 29.5996 178.5719 96 A 4.0098 8.5004 121.2639 55.3202 18.4465 179.7283 97 I 3.7680 8.1959 118.6309 64.5643 36.9353 178.8985 98 R 3.9041 8.0034 118.1835 58.9666 29.9714 178.4815 99 R 4.1809 7.5535 115.1873 56.1319 30.4414 177.4727 100 G 3.8793 7.9742 108.0341 46.1820 0.0000 175.2805 101 H 4.1722 8.0482 119.3254 58.5455 28.2092 177.4002 102 D 3.6056 7.3658 120.5235 56.2298 38.9971 178.2720 103 Q 3.8732 7.6504 117.5184 57.6007 28.8837 177.3996 104 A 4.3016 7.5633 120.6599 52.4738 19.1779 177.7100 105 V 4.1790 6.5893 110.3162 59.5612 33.4526 176.0184 106 S 4.3773 8.3087 115.4571 58.1433 63.5789 174.8979 107 E 3.9294 8.9262 121.8542 59.8344 29.0429 178.8703 108 D 4.6465 8.2983 117.3430 56.9142 41.3317 177.7098 109 L 4.7353 7.9701 117.9314 55.3733 42.2644 178.4862 110 R 3.9458 7.7326 120.0591 59.4932 29.8466 178.5349 111 V 3.4294 7.5352 118.1234 64.7971 30.8571 178.1321 112 F 4.0336 7.1532 116.8067 59.9732 38.7051 176.9465 113 F 4.3625 7.7550 116.1238 59.3451 39.0955 176.1892 114 Y 5.2606 7.9337 116.1279 59.3142 38.9111 177.6450 115 L 3.9991 8.0694 119.7360 57.5124 41.4699 177.4308 116 P 4.5134 0.0000 0.0000 64.9360 31.3377 178.2849 117 F 4.4376 8.1070 116.6694 60.6334 38.6668 177.9853 118 S 4.3474 8.2332 113.3519 61.4184 62.7461 175.3380 119 H 4.7553 8.0175 116.2768 55.2597 29.2471 175.0668 120 A 4.5426 7.4567 124.6006 51.4989 19.9526 178.3663 121 E 4.3461 8.5607 123.8885 53.9154 28.5170 176.2537 122 D 4.6366 7.2746 118.4302 51.2026 43.7081 176.6078 123 I 3.6751 8.3687 123.4875 64.3620 37.1647 178.4499 124 A 3.9609 8.0404 120.9171 55.2029 18.2420 179.2679 125 A 4.1169 8.4786 119.1912 55.5850 18.3151 179.9023 126 Q 4.0567 8.1415 116.3819 59.3023 28.8189 179.0804 127 Q 4.0714 8.2873 119.1517 58.8269 28.6302 178.7412 128 R 3.6827 8.1996 119.6920 59.1900 30.0768 178.2944 129 A 3.9588 8.3427 120.9452 55.5392 18.3518 179.4359 130 C 4.1186 8.1457 115.0511 63.0131 27.9571 176.0838 131 D 4.2830 7.7924 119.4038 57.4453 40.4832 178.6454 132 L 3.7077 7.6514 118.4480 57.3367 41.7587 178.6829 133 N 4.6060 8.1099 115.2701 54.4771 38.4403 176.9523 134 Q 3.9677 7.3935 120.9740 59.0459 29.2188 176.5534 135 P 4.3870 0.0000 0.0000 65.4607 31.4063 178.3257 136 L 4.0711 7.9195 117.0081 56.8414 42.2069 178.4706 137 G 3.9736 8.6762 107.8521 46.6616 0.0000 174.3415 138 G 3.8524 8.3179 108.8992 46.2749 0.0000 176.8060 139 L 3.8771 8.2843 121.9625 57.3254 41.2685 178.3222 140 Y 4.0571 7.6102 116.5736 60.9540 37.9123 178.2073 141 L 3.9747 8.0712 121.1210 58.3875 42.1829 178.1125 142 H 4.1212 8.2710 118.2052 59.9624 29.7532 176.7738 143 H 4.2322 8.4584 117.7558 58.8502 28.5480 177.6467 144 A 4.1202 8.1632 122.6237 55.3400 18.2200 179.6002 145 E 4.0206 8.4671 117.1099 59.3265 29.4687 179.2051 146 E 4.0299 8.4251 118.9195 59.8999 29.5768 179.2649 147 H 4.5626 8.3904 115.9616 59.0164 28.7995 177.8311 148 R 4.1359 8.1663 121.8423 58.9829 29.9105 178.2716 149 D 4.3328 8.2913 118.7003 57.2950 40.7190 178.8304 150 I 3.6091 7.4427 118.8614 64.4335 37.1351 178.7390 151 V 3.3063 7.3884 118.5679 65.9395 31.1018 177.9431 152 E 4.0012 8.2770 117.6781 58.8058 29.2681 178.8745 153 R 3.7591 7.2471 117.8428 58.1892 30.2850 177.4077 154 F 4.8999 7.8595 114.4831 56.1053 40.7668 176.7766 155 G 3.8474 9.1469 106.5048 45.0826 0.0000 172.7833 156 R 4.0069 7.0947 113.8451 55.7967 31.5555 173.8472 157 F 4.6761 9.2824 117.7779 55.5896 38.8289 175.4521 158 P 4.3566 0.0000 0.0000 65.6928 30.8387 178.2248 159 H 4.2949 8.4930 113.7943 58.4344 28.8792 176.8000 160 R 4.3577 8.1875 118.7342 57.1252 30.1148 178.0530 161 N 4.4245 8.1924 117.7378 56.2085 38.4585 177.3310 162 G 3.6103 8.0427 106.4266 48.0757 0.0000 175.7588 163 I 3.8142 7.8039 120.8732 63.5551 37.3039 176.9135 164 L 4.4051 8.0914 117.4565 53.8769 41.8668 176.2078 165 L 3.6676 7.3353 117.4171 55.8680 39.5683 174.6116 166 R 4.5507 7.8347 115.9730 54.4712 31.8943 176.5770 167 E 4.1599 8.5092 121.1833 56.2174 29.9472 176.8323 168 T 4.2529 8.3727 121.7567 63.2876 69.4397 175.4536 169 T 4.3065 8.5125 117.3620 60.2780 71.2771 174.0294 170 P 4.2557 0.0000 0.0000 65.9535 31.3140 178.7841 171 E 4.0792 8.1950 115.6948 59.5092 29.5413 178.7724 172 E 3.3957 8.1162 119.4203 58.8649 29.4063 179.2604 173 R 3.8317 8.3358 119.1206 59.3561 30.0211 177.9877 174 Q 3.9692 8.2211 119.4561 59.6185 28.7798 177.9469 175 Y 4.2072 8.0121 118.7266 60.7969 39.1531 177.9348 176 L 3.7597 8.2511 120.0517 57.7851 41.5748 179.1524 177 E 4.0145 8.3623 118.0527 58.4782 29.4472 177.6662 178 E 4.6698 8.4747 116.5527 54.2110 30.0533 176.1355 179 G 3.5303 7.2589 114.0793 46.0719 0.0000 172.8676 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 2 K 8.31 4.32 0.00 1.82 1.98 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.49 7.81 3 N 7.85 4.82 0.00 2.86 2.76 0.00 0.00 6.90 7.19 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 4 D 8.57 4.12 0.00 2.67 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 5 T 7.74 4.07 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 1.18 0.00 0.00 6 A 7.89 4.00 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 7 A 8.66 3.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.99 3.96 0.00 1.92 1.93 1.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.35 3.13 -0.24 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 10 A 7.39 3.80 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 11 D 8.56 4.45 0.00 2.95 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 12 I 7.54 3.05 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 0.65 0.00 0.00 13 V 7.58 3.56 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 1.12 0.00 0.00 0.87 0.00 0.00 14 D 8.53 4.44 0.00 3.03 2.82 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 0.00 0.00 0.00 15 F 8.68 4.24 0.00 3.49 3.63 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 16 W 8.74 4.13 0.00 3.47 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 17 K 8.40 4.25 0.00 1.97 1.95 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.75 7.81 18 K 8.06 3.99 0.00 1.85 1.88 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 19 A 7.45 3.72 0.72 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 0.00 0.00 20 G 7.41 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 0.00 0.00 0.00 21 P 0.00 2.97 0.00 2.29 2.31 0.00 2.94 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 22 D 7.42 4.11 0.00 2.40 2.37 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 23 K 6.94 3.71 0.00 0.79 0.74 0.00 1.38 0.00 0.00 1.33 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.95 0.88 7.81 24 W 6.74 4.05 0.00 1.82 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 25 F 7.49 5.21 0.00 3.07 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 26 D 7.85 4.55 0.00 2.57 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 27 K 8.71 3.85 0.00 1.81 1.77 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.51 7.81 28 D 8.53 4.49 0.00 2.80 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 29 A 8.82 4.24 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.21 3.96 1.42 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 31 F 8.15 4.25 0.00 3.29 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 32 D 8.25 4.27 0.00 2.93 2.71 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 0.00 0.00 0.00 33 N 8.33 4.27 0.00 3.10 2.89 0.00 0.00 6.71 8.55 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 34 H 8.52 4.23 0.00 3.37 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.36 4.09 0.00 2.71 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 36 H 8.31 4.16 0.00 3.08 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.24 4.35 0.00 2.75 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.57 3.66 0.00 0.76 0.66 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 39 F 7.78 5.12 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 40 R 8.19 3.64 0.00 1.83 1.90 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 41 D 8.13 4.41 0.00 2.75 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 42 A 8.00 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.94 3.58 0.00 1.70 2.79 0.00 5.59 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 44 F 8.05 3.81 0.00 3.12 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 45 A 8.18 4.01 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 46 A 7.90 3.68 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.70 3.90 1.08 0.00 0.00 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1.65 0.00 3.20 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 100 G 7.97 3.88 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 0.00 0.00 0.00 101 H 8.05 4.17 0.00 2.89 3.05 0.00 5.63 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 0.00 102 D 7.37 3.61 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 0.00 103 Q 7.65 3.87 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 104 A 7.56 4.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 6.59 4.18 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 0.96 0.00 0.00 1.23 0.00 0.00 106 S 8.31 4.38 0.00 4.08 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 0.00 107 E 8.93 3.93 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 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0.00 124 A 8.04 3.96 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 0.00 125 A 8.48 4.12 1.73 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 0.00 126 Q 8.14 4.06 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 127 Q 8.29 4.07 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 128 R 8.20 3.68 0.00 1.77 1.77 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.30 0.00 129 A 8.34 3.96 1.51 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 0.00 0.00 130 C 8.15 4.12 0.00 3.10 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 0.00 131 D 7.79 4.28 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 3.71 0.00 1.08 0.13 0.45 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.11 4.61 0.00 2.86 2.95 0.00 0.00 6.56 7.18 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 0.00 134 Q 7.39 3.97 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 135 P 0.00 4.39 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 136 L 7.92 4.07 0.00 1.77 1.32 0.69 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.68 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 0.00 138 G 8.32 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 0.00 139 L 8.28 3.88 0.00 1.34 1.33 0.78 0.69 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 0.00 140 Y 7.61 4.06 0.00 3.21 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 0.00 141 L 8.07 3.97 0.00 1.85 1.87 0.95 1.08 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 0.00 142 H 8.27 4.12 0.00 3.26 3.37 0.00 5.84 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 0.00 143 H 8.46 4.23 0.00 3.39 3.38 0.00 5.70 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 0.00 144 A 8.16 4.12 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 0.00 145 E 8.47 4.02 0.00 2.18 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 2.54 2.52 0.00 146 E 8.43 4.03 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 147 H 8.39 4.56 0.00 3.58 3.81 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.17 4.14 0.00 1.94 2.10 0.00 3.26 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 149 D 8.29 4.33 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.44 3.61 2.09 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 1.02 0.00 0.00 151 V 7.39 3.31 1.94 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 0.95 0.00 0.00 0.23 0.00 0.00 152 E 8.28 4.00 0.00 1.94 1.92 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 2.29 2.36 0.00 153 R 7.25 3.76 0.00 1.46 1.43 0.00 2.87 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 154 F 7.86 4.90 0.00 3.16 3.03 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 0.00 155 G 9.15 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 0.00 156 R 7.09 4.01 0.00 2.03 1.84 0.00 3.00 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 157 F 9.28 4.68 0.00 3.18 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 0.00 158 P 0.00 4.36 0.00 2.15 1.83 0.00 3.66 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 0.92 1.70 0.00 159 H 8.49 4.29 0.00 3.26 3.44 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.19 4.36 0.00 1.91 1.81 0.00 3.09 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 161 N 8.19 4.42 0.00 2.81 3.04 0.00 0.00 6.75 6.86 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 0.00 162 G 8.04 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 0.00 163 I 7.80 3.81 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 1.05 0.00 0.00 164 L 8.09 4.41 0.00 1.73 1.72 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.34 3.67 0.00 1.76 1.76 0.96 1.33 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 0.00 166 R 7.83 4.55 0.00 1.79 1.83 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 167 E 8.51 4.16 0.00 1.95 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 0.00 2.31 2.33 0.00 168 T 8.37 4.25 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 1.17 0.00 0.00 169 T 8.51 4.31 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 1.22 0.00 0.00 170 P 0.00 4.26 0.00 2.20 2.18 0.00 3.62 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 2.13 2.17 0.00 171 E 8.20 4.08 0.00 2.43 2.33 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 2.51 2.50 0.00 172 E 8.12 3.40 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 0.00 173 R 8.34 3.83 0.00 1.91 2.12 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 174 Q 8.22 3.97 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 175 Y 8.01 4.21 0.00 3.20 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 0.00 176 L 8.25 3.76 0.00 1.81 1.60 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 177 E 8.36 4.01 0.00 2.04 2.10 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 2.32 2.39 0.00 178 E 8.47 4.67 0.00 1.97 1.93 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 2.27 2.46 0.00 179 G 7.26 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.