NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A S 4.4405 8.1927 117.0955 57.8853 65.5534 175.3302 1 M 3.8307 7.6568 118.2438 57.6693 32.8271 176.9142 2 A 4.0326 7.8953 120.6395 54.7273 18.7073 179.1230 3 S 4.0221 7.8556 112.5646 61.4284 63.5699 176.0981 4 N 4.1952 7.5192 119.9124 55.8831 38.3435 177.2687 5 A 3.8167 8.0050 121.7599 54.9631 18.4092 179.3749 6 A 3.8982 7.8764 119.3420 55.2504 18.3603 179.8094 7 R 3.7262 8.0628 117.1576 59.5167 30.1786 178.6956 8 V 3.5803 7.4660 117.4489 66.2570 31.5345 177.9237 9 V 3.5995 8.2858 117.8671 66.0231 31.2103 177.8709 10 A 3.9774 8.1822 120.3806 55.6184 18.2192 179.8277 11 T 4.0156 8.2377 114.1210 66.5109 68.5891 176.8572 12 A 4.0083 8.5447 123.2832 55.2615 18.4367 179.8629 13 K 4.0176 8.1082 116.9924 59.6593 31.9435 179.3845 14 D 4.3810 8.1884 119.2649 57.5090 40.7018 178.8914 15 F 4.0066 8.7970 118.2415 60.1463 38.5258 177.6502 16 D 4.3871 8.0483 118.5195 57.3062 40.6487 178.5717 17 K 3.9239 8.0812 118.6814 58.8968 32.1469 178.0625 18 V 4.0840 7.5329 117.5602 61.4540 32.5001 176.0319 19 G 3.9930 8.7942 108.0136 46.8113 0.0000 173.4175 20 L 4.9138 7.9814 114.7528 56.4093 43.4449 181.2603 21 G 4.1739 7.9733 107.2383 48.3895 0.0000 176.3460 22 I 3.6453 7.9552 122.6895 63.9770 37.2147 178.2727 23 I 3.7974 8.3215 121.1944 64.5121 37.0900 178.7460 24 G 3.6597 8.0713 105.7937 47.7901 0.0000 174.4944 25 Y 3.7297 7.7296 121.8383 61.0264 38.6650 177.8884 26 Y 3.9376 7.7624 117.0136 60.8417 37.8784 178.6796 27 L 4.0906 8.0053 120.1467 57.7371 41.6443 179.6414 28 Q 3.8260 7.7239 117.7352 58.8699 28.8472 178.1622 29 L 3.7934 7.5146 121.3080 58.3049 41.9146 178.4005 30 Y 3.9907 8.1512 119.1593 60.7465 38.8340 177.5754 31 A 3.5316 7.9622 121.7920 55.1005 18.2564 179.7782 32 V 3.3755 8.0512 116.8108 66.3773 31.7283 178.2134 33 E 3.9148 7.9221 117.8473 59.1824 28.9719 179.2260 34 L 3.9663 7.4545 119.8790 57.9974 42.4392 178.8823 35 I 3.8753 7.4902 119.7096 64.2470 37.0127 177.8331 36 L 4.3112 7.8289 116.4300 55.7952 41.4730 178.3642 37 S 4.6493 7.4787 112.9738 58.2947 63.5546 173.8497 38 E 4.3073 7.6598 123.0092 55.1503 29.1651 177.0439 39 E 4.2069 8.8343 124.1261 58.2048 29.9344 177.1681 40 D 4.9942 7.2203 118.1078 52.8541 41.3070 176.7594 41 R 4.0801 7.9317 117.2163 56.7295 31.2473 176.6762 42 S 4.7754 7.9539 113.2477 56.1820 66.4506 175.3380 43 Q 3.8017 8.5229 122.1057 59.0896 28.2291 179.7060 44 E 3.9162 8.2347 119.8091 59.8106 29.6046 178.7241 45 M 4.0676 8.1305 118.5188 58.5807 31.9963 178.8253 46 T 3.8424 7.9021 115.2742 66.6593 68.6863 176.3492 47 A 4.0303 7.8980 122.1473 54.7430 18.2943 179.5590 48 L 3.8228 7.5660 118.4766 58.1567 42.2290 178.6557 49 A 3.9380 8.2154 121.2108 55.7435 18.1923 179.6497 50 T 3.7626 7.6426 113.3202 66.8080 68.5830 176.4174 51 E 3.9050 8.1919 121.0034 59.1889 29.6588 178.8018 52 L 3.9376 8.4937 119.1977 57.9823 41.6960 179.5237 53 L 4.0589 8.4458 119.1060 57.6694 41.4601 179.2073 54 D 4.3069 8.3251 118.1239 57.6636 41.2584 178.4544 55 T 3.8707 7.9378 116.0639 66.6941 68.5444 176.3655 56 I 3.8350 8.2587 122.0511 64.6416 37.1390 177.8548 57 E 3.9591 8.6163 119.7455 59.3742 29.5062 178.4006 58 A 4.0055 7.9884 120.7539 55.3109 18.1459 179.3222 59 F 3.7778 8.1416 117.5325 61.4065 39.8514 176.9851 60 K 3.9577 8.2076 119.1473 59.1426 31.8536 178.5131 61 K 3.9035 8.4139 120.4568 59.5058 31.8918 177.7294 62 E 4.2763 7.6264 115.1534 56.8641 29.3855 176.7311 63 I 4.4380 7.1779 115.8800 60.9065 39.8852 176.1706 64 G 3.8955 7.8010 110.6515 45.5516 0.0000 174.9842 *76 L 4.1967 7.8697 121.8298 55.1301 43.8346 177.5519 77 H 4.4737 7.9967 112.5973 56.6070 29.2127 176.6005 78 V 3.8322 7.6333 119.2104 65.1865 31.8637 176.5435 79 M 4.2685 8.0062 118.2371 56.5351 32.8074 178.1303 80 N 3.9854 7.5463 118.0937 56.1802 37.3268 176.7322 81 T 3.5381 8.1496 111.6964 64.5277 68.2287 175.1923 82 L 4.2848 8.3660 119.7551 55.8130 41.9243 177.1864 83 I 4.8883 8.3236 118.5175 60.7760 39.3856 176.7194 84 H 5.0255 8.2628 115.7474 55.9025 30.1132 174.8156 85 D 4.7294 8.1830 121.1307 52.5723 40.8119 176.4406 86 Q 4.0900 8.5742 126.2317 58.1987 28.9324 178.2495 87 E 3.6951 8.3646 120.7682 59.3025 29.7626 178.9698 88 K 3.9434 8.0835 117.7980 59.1488 32.0812 179.1390 89 A 3.9571 8.1687 121.5850 54.8447 18.1947 179.5533 90 K 2.4800 6.9206 117.8976 59.1474 32.0817 179.1539 91 I 3.5912 7.2478 119.7393 64.3598 36.9732 177.8536 92 Y 4.1022 8.3301 120.8726 60.8758 38.6464 177.6400 93 M 3.8466 8.1798 119.3936 58.5028 32.2506 177.9638 94 L 3.9607 8.0451 120.6104 58.2521 42.3239 178.6968 95 N 4.2983 8.2612 116.5437 56.1073 38.5258 177.2275 96 F 3.8533 7.9795 121.9721 61.6690 39.5582 177.2411 97 T 3.7344 8.1336 115.3889 66.8366 68.1273 176.2965 98 M 4.1745 8.2163 120.1184 58.8484 32.3779 178.4641 99 S 4.1034 7.8570 115.2545 61.2793 62.9105 176.5948 100 L 3.7202 7.4602 122.7961 58.1978 41.9704 177.9549 101 Y 4.1425 8.2283 119.8407 61.2321 38.5201 177.9946 102 N 4.0841 8.6652 117.4130 56.3081 38.0889 177.0933 103 E 3.7673 7.9347 120.2090 59.0998 29.5258 178.9156 104 K 4.0248 7.7461 117.2364 58.5701 32.4726 179.1611 105 L 3.8835 7.3969 119.7326 57.5867 41.4497 179.3858 106 K 3.8750 7.3660 118.0277 59.5262 31.7326 179.0677 107 Q 3.7761 7.5073 118.6703 59.1490 28.6711 178.4400 108 L 4.2484 7.3902 118.4044 57.2661 41.5504 178.9442 109 K 4.4174 7.9666 118.5718 57.9587 32.4794 177.1706 110 D 4.7194 7.7352 117.1598 54.6119 40.9417 176.8311 111 G 3.5321 6.9543 106.4482 43.9914 0.0000 170.7248 112 P 4.0649 0.0000 0.0000 62.2845 32.0172 177.1603 113 W 4.5049 8.5160 121.9463 54.8849 27.9193 174.2851 114 D 5.1097 7.5615 121.9143 50.6959 42.2770 178.0568 115 V 3.6539 8.2618 116.9409 66.1479 31.2092 177.4195 116 M 4.0233 8.1449 117.8777 58.4601 32.0953 177.6654 117 L 3.9343 8.1593 120.4959 57.9644 42.1446 178.6899 118 K 4.0203 7.8846 119.6103 59.7567 32.1071 178.9391 119 R 4.0975 8.3303 118.1735 59.5013 30.0780 178.9583 120 S 4.2279 8.7070 115.2563 62.0357 62.8920 177.0845 121 L 4.1580 8.5226 121.6695 57.4944 41.2148 179.6164 122 W 4.1074 8.1840 119.0125 59.5806 28.9873 178.1409 123 C 4.3088 8.6160 118.9963 62.7119 30.9893 175.4425 124 C 4.0259 8.2209 118.2614 62.8813 27.6734 176.1163 125 I 3.8988 7.9088 121.3535 64.6943 36.6096 178.3243 126 D 4.5901 8.6900 119.9589 57.1654 40.5653 178.8464 127 L 3.8702 8.3734 119.9559 57.7943 41.6822 179.3139 128 F 4.3418 8.1275 117.9821 61.0233 38.8738 177.9301 129 S 4.1136 8.4425 114.7676 61.6192 62.4995 176.3751 130 C 2.0000 7.7211 121.3701 61.8972 31.3428 175.4485 131 I 3.9632 7.7535 121.4962 64.7131 36.5482 178.4475 132 L 4.0303 7.7390 118.2215 57.9080 41.5053 178.8993 133 H 4.2102 7.8839 117.0955 59.3806 29.9967 177.1064 134 L 3.8320 7.5172 119.5451 55.9255 41.2208 177.6898 135 W 4.9855 7.4492 117.0354 55.2229 29.1851 175.9513 136 K 3.9187 7.7893 122.7445 59.7573 32.4017 180.9767 137 E 4.5356 7.9947 116.0007 56.6803 28.7857 177.1644 138 N 4.9505 8.5592 115.6511 52.6192 40.8102 173.7067 139 I 4.3861 6.9893 117.5910 59.7598 38.9517 176.0129 140 S 4.1393 8.6118 119.3194 58.7538 63.8222 174.7318 141 E 4.0831 8.8429 127.8250 59.6651 29.2064 179.3428 142 T 3.9397 7.8281 115.6862 66.3717 68.5783 176.7688 143 S 4.1430 7.8474 114.6133 61.1614 62.5024 176.1897 144 T 3.8357 8.5075 119.0156 66.7278 68.2632 176.2810 145 N 4.5129 7.8329 118.3900 56.3401 38.5099 177.5822 146 S 4.0322 7.6680 116.4536 61.6885 62.9989 176.8601 147 L 3.4527 7.7633 121.4331 57.7524 41.4491 179.6509 148 Q 3.9669 8.4376 118.2839 58.7154 28.4631 179.0628 149 K 4.0258 7.9116 119.7416 59.2818 32.2352 179.6088 150 R 3.6709 7.5143 118.4375 58.9286 29.7152 179.1986 151 I 3.6982 7.3975 119.6422 64.2268 37.1569 178.2746 152 K 3.8886 7.8273 120.0001 59.7006 32.0396 177.9222 153 Y 4.1143 8.3519 119.9057 60.9997 38.6432 178.0688 154 C 4.3065 8.2040 117.0981 63.0714 28.1325 176.2862 155 K 3.7482 8.1220 119.7578 59.2473 31.5051 179.5798 156 I 3.7081 7.7239 120.2639 64.6404 37.0031 178.0036 157 Y 3.9806 7.6961 115.5669 60.2296 37.7950 177.9574 158 L 4.1756 8.1093 122.2050 58.0935 42.2801 178.7873 159 S 4.1567 7.7689 113.0569 61.1726 62.3270 176.1467 160 K 4.0416 8.1215 120.8171 58.7065 31.7435 178.9960 161 L 4.2007 7.6708 119.5698 57.0509 41.6663 178.8888 162 A 4.1006 7.9965 120.4154 54.4007 18.8431 177.9854 163 K 4.3630 8.2004 114.1753 55.5345 31.8741 178.1091 164 G 3.9873 8.0333 106.2353 46.0100 0.0000 175.6902 165 E 3.8770 7.8880 118.9061 59.0142 29.6029 178.2168 166 I 3.9618 7.2595 116.8131 61.5951 38.8848 175.9027 167 G 4.1907 7.2705 112.6790 45.6694 0.0000 173.0748 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 1A S 8.19 4.44 0.00 3.67 3.84 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 0.00 0.00 0.00 1 M 7.66 3.83 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 2 A 7.90 4.03 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 3 S 7.86 4.02 0.00 3.98 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 4 N 7.52 4.20 0.00 2.91 2.88 0.00 0.00 6.96 7.72 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 5 A 8.01 3.82 1.20 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 0.00 0.00 6 A 7.88 3.90 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 7 R 8.06 3.73 0.00 1.71 2.02 0.00 3.07 0.00 0.00 2.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 8 V 7.47 3.58 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 0.84 0.00 0.00 1.00 0.00 0.00 9 V 8.29 3.60 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 0.93 0.00 0.00 0.87 0.00 0.00 10 A 8.18 3.98 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 11 T 8.24 4.02 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 12 A 8.54 4.01 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 13 K 8.11 4.02 0.00 2.03 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.68 7.81 14 D 8.19 4.38 0.00 3.05 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 15 F 8.80 4.01 0.00 3.27 3.13 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 0.00 0.00 0.00 16 D 8.05 4.39 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.08 3.92 0.00 1.77 2.00 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 18 V 7.53 4.08 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 0.79 0.00 0.00 0.89 0.00 0.00 19 G 8.79 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 20 L 7.98 4.91 0.00 2.05 1.72 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.97 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 0.00 0.00 0.00 0.00 22 I 7.96 3.65 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.25 1.26 0.00 0.00 23 I 8.32 3.80 1.74 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.25 0.00 0.00 24 G 8.07 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 3.73 0.00 1.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 3.94 0.00 3.36 2.91 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 0.00 0.00 0.00 27 L 8.01 4.09 0.00 1.77 1.67 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.72 3.83 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 29 L 7.51 3.79 0.00 1.37 1.61 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.15 3.99 0.00 2.91 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 31 A 7.96 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.05 3.38 2.15 0.00 0.00 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 0.85 0.00 0.00 33 E 7.92 3.91 0.00 2.05 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 2.50 0.00 34 L 7.45 3.97 0.00 1.42 1.55 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.49 3.88 1.94 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 1.45 0.78 0.90 0.00 0.00 36 L 7.83 4.31 0.00 1.59 1.69 0.89 0.81 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 37 S 7.48 4.65 0.00 4.09 4.25 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 38 E 7.66 4.31 0.00 2.15 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 2.28 2.39 0.00 39 E 8.83 4.21 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 40 D 7.22 4.99 0.00 2.67 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 41 R 7.93 4.08 0.00 1.78 1.87 0.00 3.13 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 42 S 7.95 4.78 0.00 3.93 3.89 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 43 Q 8.52 3.80 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 44 E 8.23 3.92 0.00 2.01 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 2.36 2.39 0.00 45 M 8.13 4.07 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 46 T 7.90 3.84 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 1.20 0.00 0.00 47 A 7.90 4.03 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 48 L 7.57 3.82 0.00 1.90 1.84 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.22 3.94 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 50 T 7.64 3.76 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 1.21 0.00 0.00 51 E 8.19 3.90 0.00 2.15 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 0.00 2.30 2.35 0.00 52 L 8.49 3.94 0.00 1.90 1.63 0.84 0.74 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 53 L 8.45 4.06 0.00 1.76 1.72 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 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 82 L 8.37 4.28 0.00 1.69 1.81 0.42 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.32 4.89 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.66 0.71 0.00 0.00 84 H 8.26 5.03 0.00 3.17 3.38 0.00 5.68 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 85 D 8.18 4.73 0.00 2.70 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 86 Q 8.57 4.09 0.00 2.22 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 87 E 8.36 3.70 0.00 2.03 2.31 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 2.26 2.32 0.00 88 K 8.08 3.94 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.58 7.81 89 A 8.17 3.96 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 90 K 6.92 2.48 0.00 0.79 1.34 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 1.33 7.81 91 I 7.25 3.59 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 0.89 0.00 0.00 92 Y 8.33 4.10 0.00 2.99 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 93 M 8.18 3.85 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 94 L 8.05 3.96 0.00 1.94 1.72 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.26 4.30 0.00 2.95 2.84 0.00 0.00 6.69 7.66 0.00 0.00 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 F 7.98 3.85 0.00 2.79 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 97 T 8.13 3.73 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 0.19 0.00 0.00 98 M 8.22 4.17 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 99 S 7.86 4.10 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.46 3.72 0.00 1.39 1.51 0.88 0.81 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 0.00 101 Y 8.23 4.14 0.00 3.15 3.23 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 0.00 102 N 8.67 4.08 0.00 2.78 2.79 0.00 0.00 6.78 7.27 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 0.00 103 E 7.93 3.77 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 104 K 7.75 4.02 0.00 1.78 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.60 7.81 105 L 7.40 3.88 0.00 1.59 1.47 0.48 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.37 3.88 0.00 1.95 1.77 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.37 7.81 107 Q 7.51 3.78 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 108 L 7.39 4.25 0.00 1.72 1.46 0.53 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.97 4.42 0.00 1.86 1.89 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.58 7.81 110 D 7.74 4.72 0.00 2.74 2.79 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 0.00 111 G 6.95 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 0.00 112 P 0.00 4.06 0.00 2.26 1.94 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 113 W 8.52 4.50 0.00 3.49 3.13 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 0.00 0.00 0.00 114 D 7.56 5.11 0.00 2.89 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 0.00 115 V 8.26 3.65 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 1.15 0.00 0.00 0.98 0.00 0.00 116 M 8.14 4.02 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 117 L 8.16 3.93 0.00 1.78 1.85 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.88 4.02 0.00 1.97 2.15 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.77 7.81 119 R 8.33 4.10 0.00 2.14 2.06 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 120 S 8.71 4.23 0.00 4.07 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 0.00 121 L 8.52 4.16 0.00 1.81 1.70 1.01 0.89 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 0.00 122 W 8.18 4.11 0.00 3.64 3.35 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 0.00 123 C 8.62 4.31 0.00 3.30 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 0.00 124 C 8.22 4.03 0.00 3.40 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 0.00 125 I 7.91 3.90 2.08 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.95 0.00 0.00 126 D 8.69 4.59 0.00 2.97 2.91 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 0.00 0.00 0.00 127 L 8.37 3.87 0.00 1.49 1.53 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.13 4.34 0.00 3.26 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 0.00 129 S 8.44 4.11 0.00 4.11 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 0.00 130 C 7.72 2.00 0.00 2.58 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 0.00 131 I 7.75 3.96 2.15 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 1.77 0.96 1.11 0.00 0.00 132 L 7.74 4.03 0.00 1.73 1.72 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 133 H 7.88 4.21 0.00 3.19 3.06 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.52 3.83 0.00 0.27 0.19 0.40 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.45 4.99 0.00 3.58 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 0.00 136 K 7.79 3.92 0.00 1.82 1.85 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 137 E 7.99 4.54 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 2.33 2.37 0.00 138 N 8.56 4.95 0.00 2.67 2.85 0.00 0.00 6.93 7.98 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 0.00 139 I 6.99 4.39 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.04 0.93 0.00 0.00 140 S 8.61 4.14 0.00 3.87 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 0.00 141 E 8.84 4.08 0.00 2.11 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 2.37 2.46 0.00 142 T 7.83 3.94 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 1.19 0.00 0.00 143 S 7.85 4.14 0.00 3.87 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 0.00 144 T 8.51 3.84 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 1.20 0.00 0.00 145 N 7.83 4.51 0.00 2.89 2.83 0.00 0.00 7.09 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 0.00 146 S 7.67 4.03 0.00 3.89 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 0.00 147 L 7.76 3.45 0.00 1.73 1.52 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.44 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 149 K 7.91 4.03 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.58 7.81 150 R 7.51 3.67 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 0.00 151 I 7.40 3.70 1.97 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 1.51 0.70 0.92 0.00 0.00 152 K 7.83 3.89 0.00 1.89 1.97 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 153 Y 8.35 4.11 0.00 3.35 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 0.00 154 C 8.20 4.31 0.00 3.30 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 0.00 155 K 8.12 3.75 0.00 1.88 1.79 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 1.61 7.81 156 I 7.72 3.71 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.52 0.00 0.00 157 Y 7.70 3.98 0.00 2.99 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 L 8.11 4.18 0.00 1.96 1.62 1.00 -0.29 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 0.00 159 S 7.77 4.16 0.00 4.01 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 0.00 160 K 8.12 4.04 0.00 1.95 1.79 0.00 0.79 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.44 1.22 7.81 161 L 7.67 4.20 0.00 1.95 1.81 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.00 4.10 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 0.00 163 K 8.20 4.36 0.00 1.93 1.79 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.51 7.81 164 G 8.03 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 0.00 165 E 7.89 3.88 0.00 2.05 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 2.30 2.43 0.00 166 I 7.26 3.96 1.78 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 1.20 1.03 0.56 0.00 0.00 167 G 7.27 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.