NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2678 8.1593 117.3738 63.5048 69.5258 174.2190 2 S 4.3715 8.4102 122.2971 56.0329 66.1993 173.2523 3 K 4.0337 9.1671 123.0200 59.7082 32.5069 179.5717 4 K 3.8565 8.1372 118.2419 59.7161 31.7504 178.9671 5 K 4.0214 7.6742 118.4012 58.9885 32.1311 178.0226 6 R 4.3634 7.5858 115.8967 56.5306 30.5573 177.8924 7 Q 4.1635 7.9375 119.8074 57.2277 28.4367 175.9759 8 R 3.9484 7.5674 118.8677 58.8805 30.0611 176.4149 9 G 4.1007 9.0200 111.4292 45.4661 0.0000 174.0410 10 S 4.1922 8.0049 113.2611 58.5079 63.5141 174.2954 11 R 4.1557 7.9668 124.8795 57.3260 29.2236 176.5645 12 T 4.2959 7.6296 104.8458 61.3304 69.5987 174.1876 13 H 4.6795 8.3365 118.1127 55.9679 26.8041 175.9556 14 G 3.9572 8.3570 105.9581 45.8193 0.0000 175.6021 15 G 3.9198 8.2881 107.8311 45.7523 0.0000 175.8195 16 G 3.9211 7.4718 105.9542 45.1416 0.0000 174.4014 17 S 4.1941 8.5300 117.6909 58.3571 62.7952 174.8230 18 H 4.3395 8.8705 122.0802 57.4661 28.2422 175.8058 19 K 4.1164 7.5827 118.8629 56.7066 31.5513 177.3820 20 N 4.3875 7.6506 117.7910 55.5443 39.2572 177.0691 21 R 4.4589 7.4566 120.9666 56.5160 28.8610 177.6213 22 R 4.6283 7.2841 123.0661 56.3389 30.5784 179.9629 23 G 4.0263 8.4870 119.3680 45.5311 0.0000 173.1477 24 A 4.2976 8.6829 121.5216 54.2744 18.5338 179.9531 25 G 3.5533 8.0577 104.5184 48.0146 0.0000 175.2813 26 H 4.3364 7.8596 118.6742 58.5825 29.9301 176.6695 27 R 4.3531 7.8996 117.3388 55.4308 30.5970 176.3852 28 G 3.7394 7.7505 106.8990 46.7418 0.0000 174.0930 29 G 4.0438 8.2260 105.3955 44.3304 0.0000 174.5139 30 R 4.1959 8.5272 118.4045 56.5092 31.8819 176.8514 31 G 3.7431 8.2530 110.2128 47.4473 0.0000 174.3013 32 D 4.6032 8.6960 124.2520 53.9651 40.8262 175.5297 33 A 3.8296 7.4103 122.2520 54.0240 18.8817 178.2176 34 G 3.8093 8.9856 108.5839 46.1923 0.0000 175.3072 35 R 3.8643 7.6110 114.8793 57.1939 29.1416 177.1675 36 D 5.0660 7.8198 115.3116 52.7131 41.9713 175.1336 37 K 4.4599 8.5541 116.2879 57.6271 33.0720 177.1028 38 H 4.5434 9.6294 121.4265 58.4140 29.4450 176.8418 39 E 4.6798 7.6472 119.1744 55.5955 29.7384 177.8459 40 F 4.3425 8.1465 115.9519 59.0954 38.2040 174.9703 41 H 3.6816 6.2558 118.4395 57.1987 28.7182 174.5351 42 N 4.2208 8.7141 118.7741 54.3864 36.2020 173.4584 43 H 4.8494 7.5184 113.2891 53.8886 30.5215 175.0244 44 E 4.1762 8.5721 122.8045 55.2759 30.0069 175.3941 45 P 4.4237 0.0000 0.0000 62.6792 31.8110 176.2029 46 L 4.0846 8.1236 119.5407 55.3115 42.1847 175.8722 47 G 4.2302 8.1175 105.9253 43.5977 0.0000 173.2535 48 K 4.5657 8.2241 119.4508 54.5115 33.9415 176.4270 49 S 4.4261 8.0720 116.4010 57.3500 65.1485 175.0286 50 G 4.0483 9.0435 118.1862 45.2252 0.0000 171.3704 51 F 5.0403 8.4252 113.0835 55.3889 41.1654 173.3766 52 K 4.3171 8.3305 118.9131 54.4629 35.2562 176.4598 53 R 4.5003 8.1004 121.3522 54.0009 31.5257 174.7545 54 P 4.2779 0.0000 0.0000 63.2443 31.4928 177.0517 55 Q 3.9057 9.0168 121.6848 58.9899 28.7309 178.6360 56 K 4.3893 7.9803 113.5318 57.2966 33.0198 177.0516 57 V 4.2714 8.0399 118.5345 62.7855 31.7666 174.6977 58 Q 4.6432 7.5202 115.9654 54.4465 30.2870 174.8463 59 E 4.6535 8.5347 120.9934 54.6981 31.8357 175.3281 60 E 4.5610 8.4745 121.6919 54.4813 32.3879 174.1927 61 A 4.3230 8.4679 128.6249 50.8619 20.3968 176.0029 62 A 4.4682 8.6960 123.4786 50.8837 20.3121 176.7733 63 T 5.3657 8.1254 112.5251 59.9802 71.7477 173.9619 64 I 4.3964 7.6734 120.6257 60.3011 41.6401 173.4106 65 D 5.0436 8.6664 128.8515 53.5587 42.1852 177.6938 66 V 3.6566 8.4816 116.2705 64.7631 31.5043 178.8445 67 R 3.9024 7.7187 118.0483 59.6450 29.5850 178.1782 68 E 3.9266 7.9792 117.7701 59.2100 29.9795 178.5979 69 I 3.7840 7.6200 119.3385 64.5741 37.1389 177.7586 70 D 4.2946 8.3969 117.8614 57.4244 41.0804 177.9361 71 E 4.1895 8.1633 118.0576 58.0025 29.6705 177.2564 72 N 4.9364 7.7105 115.9639 52.8878 39.4418 177.0762 73 V 3.2274 7.9044 113.1095 64.7018 31.6276 177.9712 74 T 3.8991 7.5452 107.8499 64.5311 68.7863 175.5670 75 L 4.0330 7.6942 120.9014 57.2216 42.4881 177.7008 76 L 4.3023 7.6304 120.7148 53.7570 40.2955 177.9347 77 A 3.9882 7.6063 121.3273 54.8118 19.1143 178.7841 78 A 4.3007 7.9535 116.2010 53.1039 18.5767 176.6930 79 D 5.0481 7.2063 115.8011 52.2290 44.5528 175.1893 80 D 4.3152 7.9171 119.9020 54.0101 41.7549 177.2578 81 V 4.6049 8.0476 122.5191 61.2735 31.5129 175.4517 82 A 4.2966 7.4996 124.7109 51.4257 19.8190 177.4362 83 E 3.7968 8.7468 112.7453 59.2046 29.8408 176.8685 *89 F 4.6498 7.7099 117.8752 57.5166 40.9940 173.7230 90 R 5.3065 8.6792 120.5662 54.6965 32.8595 174.9199 91 V 4.4627 8.9647 125.4954 60.2261 35.3010 174.2034 92 D 4.5899 8.8316 124.3868 52.6907 40.5280 176.2100 93 V 3.5428 8.3749 128.1066 66.2453 31.6653 178.3982 94 R 4.0398 8.0970 117.2569 59.2379 29.8492 177.5649 95 D 4.6117 8.1679 116.1281 55.0029 41.2480 177.9134 96 V 3.9762 7.9165 118.8519 63.6249 32.4939 176.4406 97 V 3.7168 7.1719 117.6318 62.5031 32.0262 175.3352 98 E 4.1798 8.5366 126.3682 57.0607 30.2686 175.6724 99 E 3.6791 8.5077 117.1876 57.7674 26.5828 175.3939 100 A 4.3703 7.9325 120.6025 53.2321 20.2378 179.3262 101 D 4.4520 7.9507 116.4877 57.4645 41.1294 177.9037 102 D 4.4566 7.9442 115.1664 54.1272 39.8782 176.0144 103 A 4.5216 7.1505 123.0047 51.5398 19.6024 177.2779 104 D 4.6931 9.2830 121.8503 57.1534 42.0644 175.6881 105 Y 4.6583 7.3410 114.0400 56.5250 40.7580 172.5935 106 V 4.6009 8.7043 121.0826 61.1768 33.8056 174.4216 107 K 4.6310 8.7897 128.6860 54.5356 35.6612 174.5875 108 V 4.5462 8.3398 127.4458 61.5807 33.1667 174.7671 109 L 4.6098 9.3748 128.8113 52.6635 44.2378 176.8498 110 G 4.4561 8.1857 108.3331 45.4537 0.0000 173.7136 111 A 4.6200 7.6738 121.2877 51.5466 21.7277 177.2100 112 G 3.8390 8.7811 108.6947 44.4542 0.0000 172.4291 113 Q 4.5969 8.3243 116.7923 54.1780 31.1176 175.9421 114 V 4.5084 7.9599 118.5542 61.6296 32.1630 174.5872 115 R 4.5567 9.2476 126.9179 56.0091 30.2430 176.2026 116 H 4.8548 7.8830 113.6525 54.4697 32.9263 172.6514 117 E 4.6799 8.7512 119.1721 55.5254 30.2553 175.3966 118 L 5.0898 8.5475 124.4131 53.0975 45.5044 176.0190 119 T 5.0100 8.7432 119.1802 61.2775 70.5969 172.7654 120 L 5.2358 8.3679 126.4427 53.1102 44.7874 175.7861 121 I 5.7423 8.8085 122.6912 58.8689 40.3173 174.5511 122 A 4.8640 8.6455 127.1613 50.6770 22.0721 176.2424 123 D 4.5409 8.7553 118.1405 57.1045 42.1575 176.0462 124 D 4.7716 7.5969 116.5688 53.3371 45.0828 174.1992 125 F 5.4353 8.6656 121.1084 55.8685 43.3941 174.4878 126 S 4.5994 8.5720 116.7626 57.3926 64.8353 174.8412 127 E 4.0650 8.9906 120.8260 59.5191 29.2771 179.1987 128 G 3.5971 8.1089 105.1031 47.5194 0.0000 175.3142 129 A 4.0972 8.0034 123.1835 55.4287 18.3340 179.5913 130 R 3.7761 8.1672 116.5254 58.9303 30.1233 178.8015 131 E 3.9199 8.2849 118.0572 59.8004 29.6983 180.0837 132 K 3.9660 8.0713 117.9833 59.4456 32.2419 179.6820 133 V 3.6201 7.6618 117.9505 66.0778 31.4291 177.9742 134 E 4.8866 7.9260 120.0809 58.9357 29.1847 179.3050 135 G 3.8095 8.4672 103.6009 46.1622 0.0000 173.6469 136 A 4.6549 7.1328 122.7489 51.6366 19.4366 176.3322 137 G 3.8034 8.3858 105.5693 48.5817 0.0000 173.9666 138 G 4.4523 7.9414 105.3119 43.9064 0.0000 172.5268 139 S 5.1368 8.7395 113.0173 56.3019 66.8745 173.2407 140 V 4.5221 8.1878 120.3520 61.1507 33.7170 174.2240 141 E 4.6469 9.3298 128.1298 54.4823 31.6053 174.9719 142 L 5.0347 8.5369 127.2587 54.7384 43.2085 176.5372 143 T 4.2374 8.5605 122.5492 63.3220 69.4867 175.3881 144 D 4.6295 8.6618 121.7456 56.9694 41.4697 178.2134 145 L 4.0604 8.1236 120.9266 57.9575 42.2068 178.6664 146 G 3.9633 7.5876 105.7724 46.9488 0.0000 173.2135 147 E 4.3763 7.9186 120.2080 56.9108 29.5902 178.9521 148 E 4.0680 8.1501 119.7408 58.4847 30.3716 176.5568 149 R 3.9357 7.9399 118.2718 57.9300 29.2931 176.3059 150 Q 4.3408 8.3756 122.7319 56.7986 29.4645 173.1694 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 1 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.41 4.37 0.00 4.10 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 3 K 9.17 4.03 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.14 3.86 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.67 4.02 0.00 1.67 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.59 4.36 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 7 Q 7.94 4.16 0.00 1.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 8 R 7.57 3.95 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.02 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 0.00 0.00 0.00 10 S 8.00 4.19 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.97 4.16 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.63 4.30 4.35 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 1.30 0.00 0.00 13 H 8.34 4.68 0.00 3.19 3.39 0.00 5.69 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 14 G 8.36 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.29 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 0.00 0.00 0.00 16 G 7.47 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 0.00 0.00 0.00 17 S 8.53 4.19 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.87 4.34 0.00 3.31 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.58 4.12 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.23 7.81 20 N 7.65 4.39 0.00 2.79 2.57 0.00 0.00 6.94 7.38 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 21 R 7.46 4.46 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 22 R 7.28 4.63 0.00 1.75 1.10 0.00 3.25 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.49 4.03 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 24 A 8.68 4.30 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 25 G 8.06 3.55 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 0.00 0.00 0.00 26 H 7.86 4.34 0.00 3.12 3.48 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.90 4.35 0.00 1.97 1.95 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 28 G 7.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.23 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 30 R 8.53 4.20 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 G 8.25 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.70 4.60 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 3.83 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 34 G 8.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.61 3.86 0.00 1.61 1.98 0.00 2.74 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 36 D 7.82 5.07 0.00 2.73 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 37 K 8.55 4.46 0.00 1.83 1.65 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.63 4.54 0.00 3.32 3.46 0.00 5.49 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.65 4.68 0.00 2.04 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 0.00 2.29 2.18 0.00 40 F 8.15 4.34 0.00 3.21 3.38 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 41 H 6.26 3.68 0.00 2.75 3.01 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.71 4.22 0.00 2.79 2.84 0.00 0.00 6.97 8.16 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 43 H 7.52 4.85 0.00 3.37 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.57 4.18 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.42 0.00 2.19 2.10 0.00 3.80 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 2.01 2.02 0.00 46 L 8.12 4.08 0.00 1.66 1.65 0.91 0.94 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 47 G 8.12 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 0.00 0.00 0.00 0.00 48 K 8.22 4.57 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.07 4.43 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.04 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 0.00 0.00 0.00 51 F 8.43 5.04 0.00 3.13 2.95 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 52 K 8.33 4.32 0.00 1.69 1.63 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.10 4.50 0.00 1.76 1.88 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 54 P 0.00 4.28 0.00 2.23 2.23 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 55 Q 9.02 3.91 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.98 4.39 0.00 1.87 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 57 V 8.04 4.27 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.52 4.64 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 59 E 8.53 4.65 0.00 2.04 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 2.44 2.30 0.00 60 E 8.47 4.56 0.00 1.98 1.76 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 2.19 2.24 0.00 61 A 8.47 4.32 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 62 A 8.70 4.47 1.12 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 63 T 8.13 5.37 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 1.09 0.00 0.00 64 I 7.67 4.40 1.82 0.00 0.00 0.83 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 1.23 0.90 0.00 0.00 65 D 8.67 5.04 0.00 2.74 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 66 V 8.48 3.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 67 R 7.72 3.90 0.00 1.95 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 68 E 7.98 3.93 0.00 2.00 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 0.00 2.29 2.32 0.00 69 I 7.62 3.78 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.90 0.00 0.00 70 D 8.40 4.29 0.00 2.67 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 71 E 8.16 4.19 0.00 2.03 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 2.34 2.53 0.00 72 N 7.71 4.94 0.00 2.67 2.70 0.00 0.00 6.83 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 73 V 7.90 3.23 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.47 0.00 0.00 74 T 7.55 3.90 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 75 L 7.69 4.03 0.00 1.73 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.63 4.30 0.00 1.75 1.56 0.85 0.59 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 77 A 7.61 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 78 A 7.95 4.30 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 79 D 7.21 5.05 0.00 2.59 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 80 D 7.92 4.32 0.00 3.12 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.05 4.60 2.11 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 0.76 0.00 0.00 1.13 0.00 0.00 82 A 7.50 4.30 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 83 E 8.75 3.80 0.00 2.04 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 0.00 2.25 2.31 0.00 *89 F 7.71 4.65 0.00 3.13 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 90 R 8.68 5.31 0.00 1.84 1.81 0.00 3.24 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.96 4.46 2.11 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 0.66 0.00 0.00 0.94 0.00 0.00 92 D 8.83 4.59 0.00 2.80 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 93 V 8.37 3.54 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 0.97 0.00 0.00 94 R 8.10 4.04 0.00 1.82 2.01 0.00 3.26 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 95 D 8.17 4.61 0.00 2.64 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 96 V 7.92 3.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 97 V 7.17 3.72 2.03 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 0.80 0.00 0.00 0.95 0.00 0.00 98 E 8.54 4.18 0.00 1.97 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 2.29 2.30 0.00 99 E 8.51 3.68 0.00 2.08 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 2.19 2.26 0.00 100 A 7.93 4.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.95 4.45 0.00 2.71 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 0.00 102 D 7.94 4.46 0.00 2.77 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 0.00 103 A 7.15 4.52 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 0.00 104 D 9.28 4.69 0.00 2.90 3.01 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 0.00 105 Y 7.34 4.66 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.70 4.60 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 0.80 0.00 0.00 0.88 0.00 0.00 107 K 8.79 4.63 0.00 1.68 1.39 0.00 1.86 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 108 V 8.34 4.55 1.76 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 1.04 0.00 0.00 0.68 0.00 0.00 109 L 9.37 4.61 0.00 1.71 1.56 0.89 -0.29 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 0.00 110 G 8.19 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 0.00 0.00 0.00 0.00 111 A 7.67 4.62 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 0.00 112 G 8.78 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 0.00 0.00 0.00 113 Q 8.32 4.60 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.96 4.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 115 R 9.25 4.56 0.00 1.84 1.89 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 116 H 7.88 4.85 0.00 3.27 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.75 4.68 0.00 2.15 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 2.24 2.33 0.00 118 L 8.55 5.09 0.00 1.65 1.64 1.00 0.80 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 0.00 119 T 8.74 5.01 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 1.23 0.00 0.00 120 L 8.37 5.24 0.00 1.83 1.82 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.81 5.74 2.09 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 1.18 0.89 1.07 0.00 0.00 122 A 8.65 4.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.76 4.54 0.00 2.97 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 0.00 124 D 7.60 4.77 0.00 2.90 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.67 5.44 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.57 4.60 0.00 3.89 4.03 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 0.00 127 E 8.99 4.06 0.00 2.08 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 2.53 2.40 0.00 128 G 8.11 3.60 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 0.00 0.00 0.00 129 A 8.00 4.10 1.60 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 0.00 0.00 130 R 8.17 3.78 0.00 2.05 1.91 0.00 3.15 0.00 0.00 3.10 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 131 E 8.28 3.92 0.00 2.17 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 2.35 2.61 0.00 132 K 8.07 3.97 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.66 3.62 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 1.06 0.00 0.00 1.06 0.00 0.00 134 E 7.93 4.89 0.00 2.01 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 2.39 2.22 0.00 135 G 8.47 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.13 4.65 1.46 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 0.00 0.00 0.00 137 G 8.39 3.80 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 0.00 0.00 0.00 138 G 7.94 4.45 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 0.00 139 S 8.74 5.14 0.00 3.83 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 0.00 140 V 8.19 4.52 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 -0.61 0.00 0.00 0.32 0.00 0.00 141 E 9.33 4.65 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 142 L 8.54 5.03 0.00 1.72 1.63 1.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.56 4.24 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 144 D 8.66 4.63 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.12 4.06 0.00 1.69 1.82 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.59 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.92 4.38 0.00 2.22 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 2.34 2.45 0.00 148 E 8.15 4.07 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.52 0.00 149 R 7.94 3.94 0.00 1.81 1.95 0.00 3.39 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 150 Q 8.38 4.34 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.