NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1679 8.1593 110.9425 61.7223 70.0645 172.8779 *4 T 4.1981 7.9958 110.7834 61.6544 71.0797 174.0697 5 L 2.9509 7.6766 121.9298 58.2770 41.7361 178.7571 6 N 4.2380 7.8412 115.6268 56.2005 38.2771 177.1456 7 E 3.9165 7.6939 118.7419 59.1969 29.8505 178.7364 8 L 4.1313 8.1029 120.5347 58.4147 42.1526 179.1041 9 L 3.9832 8.1117 118.4420 57.6303 41.2417 179.3200 10 A 4.1420 7.5901 119.8728 54.4200 18.4022 178.6660 11 T 4.1681 7.7892 106.3824 60.8557 70.6206 174.2956 12 N 4.1597 7.7010 118.5914 53.7769 35.9706 172.2791 13 P 4.5355 0.0000 0.0000 62.8591 32.8457 176.5957 14 D 5.7323 8.0625 117.6421 52.4232 40.1201 175.9883 15 G 4.5883 8.0100 111.2700 45.4568 0.0000 173.8901 16 T 4.4388 8.4170 109.0103 60.9900 70.0941 175.7959 17 L 4.2409 8.4794 123.0084 57.5696 41.6390 179.6293 18 E 4.0040 8.1718 118.7565 59.4811 29.4603 178.7209 19 D 4.4294 8.2394 118.9812 57.3999 40.8453 179.0022 20 I 3.8385 7.6188 118.8171 64.3655 37.0839 178.2399 21 A 4.2324 8.4970 122.0767 55.0548 18.1415 179.9411 22 G 3.5651 8.2478 104.1722 48.0714 0.0000 176.0073 23 K 3.8789 7.9449 120.1292 58.6660 32.0056 178.0369 24 Y 4.3817 7.5056 114.3047 57.0022 39.4111 176.0060 25 N 4.0452 7.9123 116.9461 54.9344 37.6563 171.5913 26 T 4.6695 8.1581 114.3443 60.0443 71.2899 173.1645 27 S 4.6629 8.3503 115.5072 57.5549 65.7037 174.4768 28 L 4.0519 8.5468 124.2154 58.4214 41.8069 179.0378 29 F 3.6245 8.6061 120.4527 61.0150 39.0117 176.8495 30 A 3.9674 7.6995 120.8161 54.4475 18.4673 179.5600 31 V 3.5726 7.4768 116.7666 66.1220 31.6641 178.4591 32 V 3.5623 7.7317 117.9968 66.0502 31.4475 177.7663 33 E 3.6341 7.8828 118.2594 58.7809 28.9680 178.2428 34 A 4.3316 7.2082 117.5923 51.4477 19.3773 177.5557 35 L 4.1232 7.1315 118.4278 53.3711 42.6233 175.4476 36 P 4.3914 0.0000 0.0000 62.8107 32.0939 177.5190 37 T 4.3084 8.9393 116.8719 65.8925 68.5418 176.0748 38 A 4.0788 7.9996 122.6517 54.1856 18.7267 177.6041 39 Q 4.7839 8.5670 113.6747 56.1153 31.1346 175.2031 40 C 5.2969 7.9593 119.3560 58.1648 35.6741 172.5547 41 T 4.6020 9.1061 122.3278 61.8682 70.9760 173.2075 42 L 5.2963 8.6527 125.7845 53.6141 44.1125 175.3766 43 A 4.8702 8.8178 122.0466 51.0452 23.5676 175.5808 44 T 4.7948 8.4344 109.6330 60.1798 71.1915 176.2777 45 G 4.2855 8.8556 109.8650 48.0548 0.0000 175.0386 46 D 4.5072 8.2771 119.6600 55.5457 39.6036 177.3503 47 R 4.5524 7.8875 118.1056 56.2557 30.0152 182.9234 48 F 4.1969 8.4580 121.9042 62.8816 39.1631 176.9560 49 D 4.4134 8.3845 117.5899 57.5765 40.7364 178.5670 50 Q 3.9833 8.1264 119.4105 59.1053 29.0166 178.4101 51 V 3.5482 7.8529 119.2453 65.7637 31.6886 177.7943 52 W 3.8102 8.3190 128.5089 60.6407 30.2875 177.7093 53 D 4.5054 8.3044 117.7327 57.3740 40.3595 178.6641 54 T 3.9922 7.7487 116.5515 66.6122 68.5472 177.0784 55 I 2.0000 7.2464 121.4897 63.0687 36.6416 177.7294 56 A 4.0112 7.2025 118.2547 52.6868 17.8694 177.5182 57 T 4.5947 7.0740 106.3054 61.6398 69.6865 174.7404 58 W 4.7077 8.2831 121.4459 57.2866 29.9198 176.5933 59 G 3.8627 8.0292 103.8622 43.5719 0.0000 171.9615 60 E 4.2004 8.5450 120.2409 56.7169 30.3075 177.7125 61 V 4.7212 8.8859 118.9764 60.1823 37.2605 174.0826 62 T 4.9616 8.8683 117.9440 61.9743 70.8363 173.6132 63 L 5.0436 8.9867 129.9293 54.3080 43.7839 175.3955 64 I 5.0611 9.3641 126.6791 59.5668 41.2949 174.1058 65 S 5.0143 8.8950 121.4839 56.9403 64.2603 172.1258 66 H 5.3053 9.0294 127.0873 54.8078 31.7829 172.1564 67 T 4.7750 8.9337 115.6548 59.3096 71.7195 174.5885 68 A 4.1425 8.6211 123.0761 54.4357 18.4929 178.0269 69 D 4.6978 7.3863 114.5228 55.3390 42.3286 176.5445 70 A 4.4644 7.8012 119.5618 50.9859 22.2796 174.9702 71 I 4.7432 8.1549 121.0162 59.6411 39.5781 174.9524 72 L 4.4797 8.7253 128.2658 52.7114 43.9335 175.5411 73 E 4.6586 8.2999 122.9516 54.3076 32.2205 175.3349 74 F 4.9247 9.0352 123.7757 55.6183 41.6706 174.2771 75 K 4.8756 8.6451 126.4287 55.5769 33.0424 175.7866 76 S 4.6771 8.5689 121.4506 58.1074 66.8145 175.5274 77 E 4.6565 8.7848 119.6697 55.4309 30.1800 177.3021 78 L 3.8819 8.3137 124.2183 54.1918 42.0643 175.4700 79 P 4.6422 0.0000 0.0000 62.6672 32.8159 176.0558 80 T 4.3004 8.5632 117.0667 63.6076 69.6238 173.8962 81 G 3.0342 8.6516 111.8411 44.2218 0.0000 172.5378 82 T 4.7018 7.7156 118.6832 61.6318 72.5451 172.7869 83 H 5.1297 8.8742 123.2963 55.3724 29.7193 175.0135 84 R 4.2799 9.6468 120.7282 57.0510 33.4752 174.1817 85 H 4.1135 9.8437 121.5537 57.2525 25.8826 175.8030 86 G 3.9336 8.9201 105.2225 45.7505 0.0000 173.0688 87 Y 4.8105 7.8167 116.4431 56.1202 43.2102 174.3550 88 F 5.0718 9.4339 123.9052 56.9500 40.6051 173.6784 89 N 4.9597 8.9695 124.9760 52.0690 39.8702 174.6965 90 L 4.7008 8.2088 126.6875 54.5305 42.9437 177.4402 91 R 4.3312 8.1152 122.7616 55.4265 30.8854 175.9891 92 G 3.5663 8.6631 113.3150 46.2920 0.0000 174.1105 93 K 4.1427 8.5629 123.0751 54.9760 36.1491 171.8431 94 N 4.0499 10.2157 120.4981 53.2871 37.6284 174.6604 95 G 3.9142 8.3678 104.5623 45.1697 0.0000 173.2275 96 L 4.3083 7.8042 122.9512 53.3194 42.9150 175.5098 97 S 4.6391 8.4797 119.4521 56.9444 66.5175 172.7585 98 G 3.6413 7.0673 105.1453 45.1996 0.0000 170.8590 99 H 5.1928 7.9739 116.6351 54.2293 32.6528 172.8349 100 I 4.6355 8.6899 124.8386 59.6749 40.0104 175.9325 101 R 4.0467 8.3001 124.7654 54.2109 28.6378 176.4850 102 A 3.1090 7.8113 125.1600 54.8833 18.6901 180.5400 103 T 3.7019 7.4525 104.3642 64.5857 68.8580 175.5843 104 S 4.1504 7.6220 116.9096 60.0383 63.3059 173.8101 105 C 4.5539 8.1165 122.9698 59.4140 31.5036 173.3258 106 Q 4.4891 8.6022 125.5497 56.5501 30.5830 175.6159 107 H 5.2018 7.8538 114.5034 54.2763 33.8815 172.4781 108 I 4.9712 9.0278 121.3278 59.5241 40.9979 174.1285 109 A 5.3242 8.8847 128.5035 50.1593 22.2695 175.0392 110 F 4.9439 9.4199 121.3578 56.1276 40.8082 174.6461 111 I 5.0369 8.9262 125.7798 59.4396 39.6848 174.8511 112 E 5.1213 9.2124 127.2114 54.9602 31.7333 175.2472 113 R 4.6779 8.6669 120.1898 55.5117 33.8367 173.7773 114 K 4.9371 8.6573 117.5669 54.8668 34.2092 176.6445 115 F 5.3588 7.9472 123.5220 56.9916 40.4165 175.7246 *117 G 3.6115 7.9228 104.4648 45.1387 0.0000 172.7818 *119 D 4.6020 7.6035 117.2224 54.5227 42.9889 175.6576 120 T 4.9490 9.0464 112.3349 60.0045 73.1424 172.6799 121 A 4.8989 8.2986 123.4715 50.3446 22.1393 175.1978 122 S 4.6638 8.9524 116.7240 56.4389 67.4015 173.2885 123 V 4.2716 8.6286 120.9258 61.1560 33.7109 174.1952 124 V 4.3347 8.3407 128.8120 61.0296 33.8409 174.2075 125 F 4.7928 8.2412 126.2780 55.8378 40.9401 174.7718 126 F 5.1385 9.0975 123.2933 55.8344 41.7371 175.7517 127 N 4.8196 9.4114 121.0552 52.6608 39.8348 175.8315 128 A 4.0320 8.3289 122.4221 54.7896 18.5442 178.1893 129 N 4.5595 8.1625 110.9072 53.5929 38.9867 175.8907 130 G 3.9156 8.2127 106.7889 45.7215 0.0000 173.4617 131 A 4.8370 7.7244 121.9110 50.5421 20.4264 177.6900 132 A 4.4731 8.3748 122.5489 50.3885 20.4085 176.3463 *134 F 4.9249 8.0853 112.7871 57.2153 39.8499 173.9695 135 K 5.1964 9.3377 117.2519 54.8466 37.0338 175.6636 136 I 5.2570 8.7270 121.7322 59.8886 40.7471 174.6057 137 F 5.0901 9.4530 126.1036 55.3716 41.6211 175.6347 138 L 4.5095 8.4594 122.5309 54.7322 42.5219 177.2016 139 G 4.0605 9.8036 109.4303 46.1683 0.0000 172.5131 140 R 5.3076 8.3117 120.0061 54.8550 34.4735 176.2259 141 D 4.6494 8.9090 122.7624 53.4216 40.9462 177.8359 142 S 4.3320 8.9183 114.1438 63.5047 62.3555 172.1847 *143 H 4.8988 8.0444 119.0962 55.1534 28.1322 176.5799 144 R 3.9394 7.8598 112.8503 57.6694 27.1935 178.3700 145 Q 4.5667 7.7310 116.0304 54.9644 30.3799 175.6005 146 L 4.3434 8.2168 120.7034 54.4371 42.3146 177.0789 147 L 3.9849 8.4884 123.9867 55.0051 41.9136 178.3739 148 S 4.0920 8.8075 119.9391 61.3826 62.6535 176.3095 149 A 3.9864 7.8910 123.9426 54.9990 18.1707 179.3104 150 Q 3.5443 7.6965 115.9359 58.4413 28.9779 178.5435 151 V 3.5936 8.4321 122.2195 66.5590 31.6079 178.5148 152 D 4.2929 8.4735 121.0615 58.4598 39.7159 180.3806 153 A 4.1393 7.4987 122.4074 54.3423 18.1882 179.4171 154 F 3.9117 8.0315 120.1174 61.5846 39.5997 177.4975 155 R 3.8660 8.5319 117.6182 59.1074 29.7911 179.1307 156 A 3.9128 7.8525 120.5381 54.9897 18.6049 179.4552 157 L 3.8331 7.9413 118.7156 57.9075 42.0934 179.0250 158 A 2.8076 7.4642 120.9686 54.7895 18.0726 179.7252 159 S 4.0037 7.5816 113.6374 62.2764 63.0356 176.7128 160 E 4.0547 7.9985 121.0250 60.8400 29.4454 180.8412 161 L 4.4291 7.5307 120.5459 58.0140 41.8590 177.7472 162 Q 4.2244 7.9002 121.2148 55.5842 29.6409 176.7729 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 T 8.16 4.17 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 1.22 0.00 0.00 *4 T 8.00 4.20 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 1.26 0.00 0.00 5 L 7.68 2.95 0.00 0.68 1.28 0.64 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.84 4.24 0.00 2.70 2.78 0.00 0.00 7.11 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 7 E 7.69 3.92 0.00 2.21 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 0.00 2.34 2.30 0.00 8 L 8.10 4.13 0.00 1.86 1.87 1.00 1.18 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 9 L 8.11 3.98 0.00 1.68 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.59 4.14 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 11 T 7.79 4.17 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 1.27 0.00 0.00 12 N 7.70 4.16 0.00 2.87 2.91 0.00 0.00 6.94 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.23 2.10 0.00 3.73 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 2.04 2.01 0.00 14 D 8.06 5.73 0.00 2.90 2.86 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 15 G 8.01 4.59 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 16 T 8.42 4.44 4.49 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 1.25 0.00 0.00 17 L 8.48 4.24 0.00 1.79 1.84 1.00 1.00 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 18 E 8.17 4.00 0.00 2.06 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 0.00 2.15 2.41 0.00 19 D 8.24 4.43 0.00 3.04 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 20 I 7.62 3.84 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 1.11 0.00 0.00 21 A 8.50 4.23 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 22 G 8.25 3.57 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 0.00 23 K 7.94 3.88 0.00 1.72 1.40 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.57 7.81 24 Y 7.51 4.38 0.00 3.02 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 25 N 7.91 4.05 0.00 2.76 2.95 0.00 0.00 6.73 7.32 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 26 T 8.16 4.67 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 1.32 0.00 0.00 27 S 8.35 4.66 0.00 4.39 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.55 4.05 0.00 1.93 2.18 1.03 0.87 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 29 F 8.61 3.62 0.00 2.85 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 30 A 7.70 3.97 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 31 V 7.48 3.57 2.27 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 1.00 0.00 0.00 1.00 0.00 0.00 32 V 7.73 3.56 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 1.00 0.00 0.00 1.26 0.00 0.00 33 E 7.88 3.63 0.00 1.78 1.68 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 1.67 1.47 0.00 34 A 7.21 4.33 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.13 4.12 0.00 1.75 1.61 0.95 0.91 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 36 P 0.00 4.39 0.00 2.21 2.17 0.00 3.71 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 2.10 2.02 0.00 37 T 8.94 4.31 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 1.20 0.00 0.00 38 A 8.00 4.08 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 39 Q 8.57 4.78 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 40 C 7.96 5.30 0.00 3.13 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 41 T 9.11 4.60 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 1.15 0.00 0.00 42 L 8.65 5.30 0.00 1.56 1.66 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.82 4.87 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 44 T 8.43 4.79 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 1.25 0.00 0.00 45 G 8.86 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 0.00 0.00 0.00 0.00 46 D 8.28 4.51 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 4.55 0.00 1.75 1.92 0.00 3.29 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 48 F 8.46 4.20 0.00 3.32 3.06 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 0.00 0.00 0.00 49 D 8.38 4.41 0.00 2.91 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 50 Q 8.13 3.98 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 51 V 7.85 3.55 2.27 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 1.05 0.00 0.00 1.10 0.00 0.00 52 W 8.32 3.81 0.00 2.88 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 53 D 8.30 4.51 0.00 2.80 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 54 T 7.75 3.99 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 1.39 0.00 0.00 55 I 7.25 2.00 1.19 0.00 0.00 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 -0.30 0.31 0.50 0.00 0.00 56 A 7.20 4.01 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 57 T 7.07 4.59 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 58 W 8.28 4.71 0.00 3.49 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 59 G 8.03 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 60 E 8.55 4.20 0.00 2.02 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 2.33 2.27 0.00 61 V 8.89 4.72 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 0.93 0.00 0.00 0.94 0.00 0.00 62 T 8.87 4.96 4.33 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 1.19 0.00 0.00 63 L 8.99 5.04 0.00 1.88 1.78 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.36 5.06 2.02 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.72 0.90 0.00 0.00 65 S 8.90 5.01 0.00 4.05 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 66 H 9.03 5.31 0.00 3.16 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.93 4.78 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 1.27 0.00 0.00 68 A 8.62 4.14 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 69 D 7.39 4.70 0.00 2.78 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 70 A 7.80 4.46 1.21 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 0.00 0.00 71 I 8.15 4.74 1.70 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.52 0.68 0.00 0.00 72 L 8.73 4.48 0.00 1.29 1.12 1.00 0.81 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 73 E 8.30 4.66 0.00 1.63 1.67 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 1.97 2.07 0.00 74 F 9.04 4.92 0.00 2.93 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 75 K 8.65 4.88 0.00 1.79 1.75 0.00 1.86 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 76 S 8.57 4.68 0.00 3.89 4.12 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 0.00 0.00 0.00 77 E 8.78 4.66 0.00 1.87 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 2.28 2.35 0.00 78 L 8.31 3.88 0.00 1.20 1.02 -0.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.64 0.00 2.16 2.10 0.00 3.88 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 2.21 2.05 0.00 80 T 8.56 4.30 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 1.22 0.00 0.00 81 G 8.65 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 0.00 0.00 0.00 82 T 7.72 4.70 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 83 H 8.87 5.13 0.00 3.11 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.65 4.28 0.00 1.69 1.62 0.00 3.08 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.41 0.00 85 H 9.84 4.11 0.00 3.37 3.41 0.00 5.81 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 86 G 8.92 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 87 Y 7.82 4.81 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.43 5.07 0.00 2.76 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 89 N 8.97 4.96 0.00 2.48 2.62 0.00 0.00 6.76 7.30 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 90 L 8.21 4.70 0.00 1.38 1.50 0.92 0.23 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 91 R 8.12 4.33 0.00 1.62 1.70 0.00 3.27 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 92 G 8.66 3.57 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 0.00 93 K 8.56 4.14 0.00 1.72 1.62 0.00 1.97 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.18 7.81 94 N 10.22 4.05 0.00 2.83 2.90 0.00 0.00 7.44 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 95 G 8.37 3.91 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 0.00 0.00 0.00 96 L 7.80 4.31 0.00 1.68 1.50 0.62 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.48 4.64 0.00 3.81 3.69 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 98 G 7.07 3.64 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 0.00 0.00 135 K 9.34 5.20 0.00 1.93 1.76 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.48 7.81 136 I 8.73 5.26 2.00 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 1.07 0.99 0.00 0.00 137 F 9.45 5.09 0.00 2.96 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 0.00 138 L 8.46 4.51 0.00 1.48 1.70 0.58 1.00 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 0.00 139 G 9.80 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.31 5.31 0.00 1.66 1.74 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 141 D 8.91 4.65 0.00 2.68 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 0.00 142 S 8.92 4.33 0.00 3.62 3.82 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 *143 H 8.04 4.90 0.00 2.90 2.92 0.00 7.32 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.86 3.94 0.00 1.95 1.87 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 145 Q 7.73 4.57 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 146 L 8.22 4.34 0.00 1.60 1.55 0.83 1.00 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 0.00 147 L 8.49 3.98 0.00 1.74 1.59 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.81 4.09 0.00 4.01 4.10 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 0.00 149 A 7.89 3.99 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 0.00 150 Q 7.70 3.54 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 151 V 8.43 3.59 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 1.05 0.00 0.00 0.90 0.00 0.00 152 D 8.47 4.29 0.00 2.68 2.66 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 0.00 153 A 7.50 4.14 0.73 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 0.00 154 F 8.03 3.91 0.00 2.97 3.12 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 0.00 0.00 0.00 155 R 8.53 3.87 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 156 A 7.85 3.91 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 0.00 157 L 7.94 3.83 0.00 2.11 1.91 0.96 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.46 2.81 0.78 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 0.00 0.00 159 S 7.58 4.00 0.00 3.99 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 0.00 160 E 8.00 4.05 0.00 2.09 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 2.26 2.23 0.00 161 L 7.53 4.43 0.00 1.65 1.64 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 7.90 4.22 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.