NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2609 8.1849 120.6252 54.5780 42.9422 177.2688 4 Q 4.0927 8.3253 121.2145 54.3763 27.0851 173.2194 5 Q 4.4791 8.1571 121.4790 53.8892 33.4505 173.8781 6 V 4.2693 8.2585 122.9646 61.0764 33.9783 174.8070 7 A 4.4563 8.6043 128.7261 53.9514 20.2881 177.0410 8 V 5.0824 7.5856 112.8859 61.6168 35.2076 174.3439 9 I 4.4632 9.1075 128.4371 60.0738 39.2077 174.5189 10 T 5.1966 8.6661 124.0968 61.8103 70.6595 173.7379 11 L 4.7114 9.3037 127.1437 52.8205 44.2662 175.9913 12 G 4.4080 8.8597 111.5672 45.9011 0.0000 172.7076 13 I 5.0180 9.1237 117.8491 59.3331 41.1043 176.2207 14 G 3.7611 9.5285 111.1536 46.4702 0.0000 174.4921 15 D 4.6648 7.7767 118.6635 51.5382 44.3411 175.4740 16 L 4.1016 8.7069 127.4599 57.9472 41.8094 179.0306 17 E 3.9521 8.2911 118.4925 59.2646 29.7474 178.5599 18 A 4.0532 8.6729 121.1359 55.1694 18.4667 179.6271 19 S 4.2263 8.3501 111.4786 61.6557 62.5313 176.2110 20 A 4.3789 8.9117 123.8528 55.1620 17.9656 179.6622 21 R 3.8482 8.2742 117.3782 59.4474 30.3003 178.4764 22 F 3.9660 8.0273 119.8824 61.7127 39.3821 176.8122 23 Y 3.7746 8.1264 116.3308 60.3269 37.6187 178.4478 24 G 3.9548 8.5796 107.2303 47.2245 0.0000 175.8281 25 E 4.0338 8.2027 120.7702 57.8910 29.8914 178.7402 26 G 3.1173 7.3217 107.3522 47.9182 0.0000 175.1670 27 F 3.5437 6.8883 118.7329 57.2171 39.0890 176.9288 28 G 4.2774 7.9448 107.3979 45.7194 0.0000 173.1308 29 W 4.9649 8.0786 118.9885 55.1867 30.4355 175.3640 30 A 5.2075 8.4704 123.3268 49.7204 21.0161 174.8404 31 P 4.3621 0.0000 0.0000 62.5269 32.0659 176.6401 32 V 4.2957 8.4818 120.1451 62.5073 33.0707 175.8435 33 F 4.8374 7.8570 122.3621 56.8760 43.0267 172.9869 34 R 4.8276 6.7756 123.2706 55.4296 33.1158 173.3227 35 N 4.8581 8.7305 122.1497 50.6509 40.6291 173.2661 36 P 4.4593 0.0000 0.0000 64.7033 31.5587 176.8472 37 E 4.8522 9.1029 115.1002 56.0483 32.0690 175.5170 38 I 5.1867 7.8992 118.4675 59.7681 42.2163 173.4020 39 I 4.9739 8.4012 126.8186 59.4771 41.2562 174.2699 40 F 5.6165 8.9992 124.9399 55.9461 42.1769 173.9072 41 Y 5.0150 9.1683 120.6244 56.1286 40.8737 175.1188 42 Q 4.1209 8.6744 125.2652 55.2108 30.2098 175.4984 *44 N 4.3471 8.3067 120.6867 50.9461 37.7244 174.3060 45 G 4.1173 8.7333 107.5597 45.8821 0.0000 170.5590 46 F 4.8311 7.1141 112.7151 56.1370 41.1214 173.1091 47 V 4.3807 8.7683 118.3048 60.9788 34.1286 173.8311 48 L 5.3069 8.7961 129.3287 53.5689 44.0678 174.7606 49 A 5.6547 9.6289 128.3055 50.3464 22.6116 174.9291 50 T 5.1412 9.0261 111.8608 59.9255 71.1523 172.5902 51 W 5.4998 9.0465 135.0000 54.9474 33.8924 174.8320 52 L 4.4224 8.9247 126.6816 55.4205 41.7848 178.3038 53 V 3.4779 8.9145 123.6059 66.4684 31.4015 178.2847 54 Q 3.9093 7.9934 116.9004 59.2106 28.5598 178.7260 55 N 4.0282 7.6421 116.7791 55.7676 38.5655 177.1327 56 L 2.7665 6.7749 121.5277 57.7969 42.1818 178.7359 57 Q 3.8768 8.0910 119.8921 59.1595 28.6896 177.9386 58 E 3.8548 7.7315 119.3611 59.2526 29.7227 178.0330 59 D 4.4813 7.6583 117.1849 57.3658 41.4199 178.1257 60 V 3.7509 7.6190 117.9965 64.1027 31.6058 176.9575 61 G 4.0121 8.4299 106.5533 44.7733 0.0000 173.2717 62 V 4.4139 7.0797 110.4548 58.5963 34.9434 175.0973 63 A 3.9626 8.4996 124.5414 52.5317 18.4822 177.2883 64 V 4.2962 8.0786 122.6206 60.6966 33.6634 175.2407 65 T 3.9841 8.5371 121.9178 62.5967 67.6228 173.5879 66 S 4.5290 8.3847 119.2179 58.8069 64.0492 174.7345 67 R 4.2676 7.6160 120.7880 54.6511 30.6853 174.5906 68 P 4.4612 0.0000 0.0000 62.8669 32.1868 176.1243 69 G 4.2769 8.0705 108.4173 43.9670 0.0000 173.3019 70 S 4.0988 8.4010 114.1843 57.3725 61.0083 173.6155 *72 A 4.2323 8.0323 128.4357 51.5969 19.8056 175.5622 73 L 4.6360 8.3387 121.8212 52.8281 43.9020 175.4453 74 A 5.4404 8.6636 124.8278 50.5271 21.7909 175.1905 75 H 5.1035 9.7479 121.3008 54.6345 32.6044 172.1238 76 N 5.4895 8.8837 123.3321 52.1705 39.9015 175.2327 77 V 4.4649 8.6930 117.2241 60.0527 33.7767 176.4803 78 R 4.3907 8.7473 119.3257 57.0940 30.6774 176.6408 79 A 4.1671 7.4370 119.9760 50.3570 21.9594 176.8456 80 E 3.3570 7.1965 122.0461 59.1591 29.7011 178.8174 81 T 4.0388 7.4690 106.3653 62.9709 69.3627 175.1421 82 E 4.2768 8.0708 122.3277 57.8859 29.6122 178.1740 83 V 3.5517 7.2573 117.8471 65.8866 31.6745 177.3176 84 A 4.1171 7.8372 118.8582 54.8363 18.6042 177.2295 85 P 4.5034 0.0000 0.0000 65.5190 31.4146 179.8669 86 L 3.6580 7.5355 116.9261 55.4364 41.8843 178.4437 *88 E 4.2224 8.1919 118.5209 55.9674 31.5487 178.5621 89 R 3.7827 7.6975 117.6927 59.0429 29.9067 179.1464 90 L 3.3802 7.6890 118.8983 57.4840 41.5833 179.7020 91 V 3.8142 7.8402 118.8365 65.4577 31.3699 177.7812 92 A 4.0794 8.0511 118.9659 54.0937 18.1531 178.3057 93 A 4.4963 7.0135 117.9566 51.9648 19.2592 177.7120 94 G 4.0392 7.9298 106.4893 45.7265 0.0000 174.9765 95 G 3.8717 8.5519 107.7282 46.0025 0.0000 172.7514 96 Q 4.7555 8.6235 123.0571 53.6472 30.9993 174.5346 97 L 4.2751 8.6568 129.6150 55.6400 42.0374 175.9724 98 L 4.6045 8.8641 126.3964 55.9857 43.9974 177.2620 99 R 4.5344 7.7757 119.5854 54.4244 32.9112 172.8376 100 P 4.7085 0.0000 0.0000 62.2236 32.3023 176.3085 101 A 4.3339 8.5355 124.8360 52.8093 18.9504 176.4193 102 D 4.7210 8.8235 120.5306 51.8621 43.8073 174.2653 103 A 4.8944 8.7014 121.4001 50.3401 18.9204 176.1016 104 P 4.5069 0.0000 0.0000 61.4302 32.7665 175.5554 105 P 4.2054 0.0000 0.0000 66.1586 31.1510 177.6097 106 H 4.4510 7.9324 110.0297 55.5373 28.1460 175.9695 107 G 3.8524 7.9625 108.1737 46.2623 0.0000 174.7945 108 G 3.8519 9.5467 103.7365 44.5553 0.0000 171.7393 109 L 5.0034 8.2930 121.2132 53.8620 46.0932 176.2647 110 R 5.0630 8.9725 121.2235 55.2659 33.3297 173.9523 111 G 4.5814 8.9078 107.4056 45.0197 0.0000 170.4522 112 Y 5.5368 9.0112 116.1620 56.2355 42.1348 175.4704 113 V 4.9844 9.3271 122.4199 61.4956 35.4377 173.6644 114 A 5.3105 9.0578 129.9389 50.4557 21.3604 176.7141 115 D 3.3700 8.9258 120.9705 51.2214 40.5374 175.5605 116 P 4.0483 0.0000 0.0000 65.3616 31.1551 177.1859 117 D 4.5997 8.3711 115.6568 53.9583 40.9328 177.3593 118 G 3.9074 8.2346 108.8834 44.9866 0.0000 173.6737 119 H 4.4265 8.0590 118.0717 55.7710 29.9221 174.6669 120 I 4.4386 8.5217 124.8314 60.9546 38.4583 174.8034 121 W 5.3218 9.5126 126.8478 54.9260 32.3911 174.0308 122 E 4.7333 9.7125 125.8644 54.6395 31.4226 174.3800 123 I 5.1341 8.5689 127.7287 59.7760 39.2855 174.5808 124 A 5.1909 9.1049 128.2087 50.0727 23.5270 174.4194 125 F 5.0075 9.4208 122.6270 56.6646 41.7115 173.8747 126 N 4.4282 8.1313 125.4595 50.4779 39.8021 172.7292 127 P 4.0862 0.0000 0.0000 64.4946 31.7371 178.4818 128 V 3.6253 7.4361 118.5034 64.8163 31.6015 175.5742 129 W 4.8544 7.5687 120.2714 54.4152 29.9217 175.0659 130 P 4.4326 0.0000 0.0000 62.7988 32.2526 175.5317 131 I 4.6554 8.2897 124.1960 59.3564 39.1486 175.9554 132 G 3.9458 9.2397 116.4786 44.0093 0.0000 172.6101 133 A 4.1078 8.6740 121.7179 54.8939 18.6165 178.3998 134 D 4.9786 8.0201 112.6777 53.1984 42.4331 176.3415 135 G 3.5063 8.4469 112.0653 44.8040 0.0000 175.7637 136 S 3.4680 8.6125 117.2593 58.9288 61.9701 171.0478 137 V 4.7265 8.0352 129.5344 61.7665 32.8449 174.7950 138 T 4.6430 8.2914 117.3520 59.4073 71.1403 173.6581 139 F 2.6860 8.4820 127.0762 57.8535 40.0970 174.1060 140 A 4.2044 5.8919 125.9386 50.2292 22.1506 175.9900 141 A 4.0416 8.2549 122.8824 52.4133 18.6031 177.6106 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 3 L 8.18 4.26 0.00 1.62 1.65 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.33 4.09 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 5 Q 8.16 4.48 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 6 V 8.26 4.27 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 0.72 0.00 0.00 0.83 0.00 0.00 7 A 8.60 4.46 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.59 5.08 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 0.93 0.00 0.00 0.83 0.00 0.00 9 I 9.11 4.46 2.05 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.24 0.92 0.00 0.00 10 T 8.67 5.20 4.41 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 1.55 0.00 0.00 11 L 9.30 4.71 0.00 1.65 1.44 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.86 4.41 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 0.00 13 I 9.12 5.02 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 1.24 0.00 0.00 14 G 9.53 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 15 D 7.78 4.66 0.00 2.77 2.52 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 16 L 8.71 4.10 0.00 1.83 1.76 1.07 0.89 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 17 E 8.29 3.95 0.00 2.07 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 0.00 2.41 2.42 0.00 18 A 8.67 4.05 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 19 S 8.35 4.23 0.00 4.21 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 0.00 20 A 8.91 4.38 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 21 R 8.27 3.85 0.00 2.04 2.19 0.00 3.12 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 1.62 1.85 0.00 22 F 8.03 3.97 0.00 2.99 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 23 Y 8.13 3.77 0.00 3.18 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 24 G 8.58 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.20 4.03 0.00 2.05 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 2.31 2.24 0.00 26 G 7.32 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 0.00 0.00 0.00 27 F 6.89 3.54 0.00 1.70 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 28 G 7.94 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.08 4.96 0.00 3.42 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 30 A 8.47 5.21 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 31 P 0.00 4.36 0.00 1.93 1.61 0.00 3.71 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 1.99 1.92 0.00 32 V 8.48 4.30 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 0.76 0.00 0.00 0.96 0.00 0.00 33 F 7.86 4.84 0.00 3.29 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 34 R 6.78 4.83 0.00 1.61 1.47 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 35 N 8.73 4.86 0.00 2.93 2.71 0.00 0.00 6.76 7.07 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 36 P 0.00 4.46 0.00 2.09 2.19 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 37 E 9.10 4.85 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 38 I 7.90 5.19 1.55 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.12 0.65 0.00 0.00 39 I 8.40 4.97 1.85 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 1.12 0.52 0.38 0.00 0.00 40 F 9.00 5.62 0.00 2.97 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 41 Y 9.17 5.01 0.00 2.74 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 42 Q 8.67 4.12 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 *44 N 8.31 4.35 0.00 2.97 2.84 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.73 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 0.00 0.00 0.00 46 F 7.11 4.83 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.77 4.38 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 0.89 0.00 0.00 0.73 0.00 0.00 48 L 8.80 5.31 0.00 1.99 1.63 1.19 1.04 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 49 A 9.63 5.65 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 5.14 4.48 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 1.40 0.00 0.00 51 W 9.05 5.50 0.00 3.41 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 52 L 8.92 4.42 0.00 1.65 1.80 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.91 3.48 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 1.06 0.00 0.00 1.00 0.00 0.00 54 Q 7.99 3.91 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 55 N 7.64 4.03 0.00 1.95 2.18 0.00 0.00 6.75 6.74 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 56 L 6.77 2.77 0.00 1.51 1.57 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.09 3.88 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 58 E 7.73 3.85 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 59 D 7.66 4.48 0.00 2.87 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 60 V 7.62 3.75 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 61 G 8.43 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.08 4.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 63 A 8.50 3.96 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 64 V 8.08 4.30 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 0.84 0.00 0.00 0.95 0.00 0.00 65 T 8.54 3.98 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 1.22 0.00 0.00 66 S 8.38 4.53 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.62 4.27 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 68 P 0.00 4.46 0.00 2.16 1.92 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 69 G 8.07 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.40 4.10 0.00 3.84 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 *72 A 8.03 4.23 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 73 L 8.34 4.64 0.00 0.27 0.78 0.46 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.66 5.44 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 75 H 9.75 5.10 0.00 3.63 3.57 0.00 5.57 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.88 5.49 0.00 2.68 2.76 0.00 0.00 7.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.69 4.46 2.17 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 0.81 0.00 0.00 1.18 0.00 0.00 78 R 8.75 4.39 0.00 1.86 2.04 0.00 3.28 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 79 A 7.44 4.17 1.07 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 0.00 0.00 80 E 7.20 3.36 0.00 1.20 1.62 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 2.28 2.30 0.00 81 T 7.47 4.04 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 1.12 0.00 0.00 82 E 8.07 4.28 0.00 2.10 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 2.32 2.45 0.00 83 V 7.26 3.55 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 0.87 0.00 0.00 1.03 0.00 0.00 84 A 7.84 4.12 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.50 0.00 2.12 2.07 0.00 3.64 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 2.23 2.10 0.00 86 L 7.54 3.66 0.00 1.78 1.80 0.54 0.87 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 *88 E 8.19 4.22 0.00 2.18 1.96 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 2.25 2.58 0.00 89 R 7.70 3.78 0.00 1.79 1.74 0.00 2.99 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 90 L 7.69 3.38 0.00 1.44 1.45 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.84 3.81 2.17 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 1.15 0.00 0.00 0.92 0.00 0.00 92 A 8.05 4.08 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 93 A 7.01 4.50 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.55 3.87 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 96 Q 8.62 4.76 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 97 L 8.66 4.28 0.00 1.69 1.59 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.86 4.60 0.00 1.79 1.70 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.78 4.53 0.00 1.97 2.04 0.00 3.31 0.00 0.00 3.61 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 100 P 0.00 4.71 0.00 1.99 1.98 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 101 A 8.54 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 0.00 102 D 8.82 4.72 0.00 2.80 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 0.00 103 A 8.70 4.89 1.25 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 0.00 0.00 104 P 0.00 4.51 0.00 1.91 2.11 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 105 P 0.00 4.21 0.00 2.07 2.18 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 106 H 7.93 4.45 0.00 3.21 3.42 0.00 5.78 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 0.00 107 G 7.96 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 0.00 108 G 9.55 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 0.00 109 L 8.29 5.00 0.00 1.87 1.60 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.97 5.06 0.00 1.90 1.89 0.00 2.67 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 111 G 8.91 4.58 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 0.00 0.00 0.00 112 Y 9.01 5.54 0.00 2.90 2.84 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 0.00 113 V 9.33 4.98 2.22 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 1.11 0.00 0.00 0.97 0.00 0.00 114 A 9.06 5.31 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 0.00 115 D 8.93 3.37 0.00 1.67 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.05 0.00 2.04 2.14 0.00 3.33 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 117 D 8.37 4.60 0.00 2.84 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 0.00 118 G 8.23 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 0.00 119 H 8.06 4.43 0.00 3.55 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.52 4.44 1.90 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 1.37 0.88 1.05 0.00 0.00 121 W 9.51 5.32 0.00 3.79 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 9.71 4.73 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 2.06 1.72 0.00 123 I 8.57 5.13 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.99 0.00 0.00 124 A 9.10 5.19 1.13 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 0.00 0.00 125 F 9.42 5.01 0.00 3.03 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 0.00 126 N 8.13 4.43 0.00 2.35 2.18 0.00 0.00 6.89 7.71 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 0.00 127 P 0.00 4.09 0.00 2.10 1.83 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 128 V 7.44 3.63 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 0.83 0.00 0.00 0.87 0.00 0.00 129 W 7.57 4.85 0.00 3.03 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 0.00 130 P 0.00 4.43 0.00 2.08 1.98 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 131 I 8.29 4.66 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.04 0.00 0.00 132 G 9.24 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.67 4.11 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 0.00 134 D 8.02 4.98 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.45 3.51 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 0.00 136 S 8.61 3.47 0.00 4.11 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 0.00 137 V 8.04 4.73 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 1.14 0.00 0.00 1.05 0.00 0.00 138 T 8.29 4.64 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 1.20 0.00 0.00 139 F 8.48 2.69 0.00 2.23 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 5.89 4.20 1.03 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 0.00 141 A 8.25 4.04 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.