NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.9182 8.4449 117.8426 56.1534 31.4681 172.8359 1 M 4.6610 8.0654 120.7679 54.9672 31.7907 177.9403 2 A 4.1694 7.6317 128.7523 53.3237 19.7238 178.2115 3 T 4.4782 8.2844 109.1846 60.9880 69.9587 174.8268 4 A 4.2021 8.0210 125.1250 52.0293 18.9414 175.5589 5 P 4.4306 0.0000 0.0000 62.3541 32.1305 176.5767 6 R 3.3710 8.0815 121.5379 54.9156 30.5006 174.9352 7 P 4.6485 0.0000 0.0000 62.7142 33.0362 175.1695 8 L 5.0220 9.8246 122.6594 52.8638 44.3815 177.6196 9 R 3.6760 8.4140 121.6459 59.8040 30.0156 178.5540 10 E 4.2136 8.1342 115.2914 58.7244 29.6784 177.4901 11 Q 4.1324 8.2401 116.2421 56.8078 29.0311 175.3276 12 Y 4.6351 7.7147 115.3426 56.2981 40.3551 175.4197 13 L 4.4676 8.2716 122.1890 56.6006 43.0150 176.8540 14 H 4.9505 7.6280 117.1225 54.2091 33.3099 172.1028 15 F 5.3364 8.4099 122.2416 55.9386 42.4205 174.6520 16 Q 4.5887 8.8669 123.0995 54.2375 32.2582 171.9928 17 P 4.7431 0.0000 0.0000 63.0060 31.2183 175.7811 18 I 4.7284 8.3139 122.8710 59.4207 40.8517 174.9697 19 S 4.5455 8.7569 121.8373 57.7731 64.0538 174.2256 20 T 4.6101 8.2870 113.7085 61.4039 69.9319 173.9185 21 R 4.8596 9.5363 120.9373 53.8389 33.8647 176.3323 22 W 2.6579 8.5259 131.1148 60.6018 30.4465 176.9546 23 H 4.5850 7.9847 113.8163 56.1359 29.3870 175.4154 24 D 4.3775 8.1674 121.1976 57.0845 40.8642 176.5600 25 N 4.7470 7.3755 116.5568 52.8044 39.3203 174.6796 26 D 4.7880 8.2871 122.5870 51.6603 42.0129 176.5467 27 I 3.5129 8.0076 117.7444 64.4016 37.8723 176.7770 28 Y 4.5644 7.7447 115.9570 58.5407 37.9474 176.2852 29 G 3.8656 8.6231 108.9710 44.9853 0.0000 172.5127 30 H 5.0509 7.6202 115.7383 53.1474 32.8956 173.3192 31 V 4.0590 8.9067 120.5450 63.0387 31.4539 175.4632 32 N 4.4903 9.0359 127.2645 53.6119 39.5798 175.4950 33 N 4.2090 8.8320 122.0765 55.8924 37.9231 177.3920 34 V 3.7896 8.2934 118.8302 66.0432 31.9723 177.8889 35 T 3.5628 7.5762 116.1627 66.8072 67.9537 175.7506 36 Y 3.6834 7.6684 118.6399 61.3808 37.9413 178.5814 37 Y 3.4831 7.7869 117.1371 60.6229 37.9799 178.0768 38 A 4.0633 7.7225 121.3426 55.1960 18.3627 179.5052 39 F 4.5288 7.7602 116.2870 60.7423 38.9543 177.7894 40 F 4.6305 8.3942 117.7132 60.9558 38.8071 177.1780 41 D 4.3295 8.4051 117.5581 57.6173 40.8773 178.5376 42 T 3.9253 8.0772 115.8195 66.5385 68.5422 176.4558 43 A 4.3180 8.2826 124.1187 54.6711 18.4560 179.5781 44 V 3.4357 7.8282 116.3821 66.5377 31.6564 178.1136 45 N 4.6314 8.4768 115.9263 56.4206 38.3171 177.7363 46 T 3.8960 8.3610 117.7212 66.6723 68.5007 175.7893 47 Y 3.9727 8.1673 121.4181 61.0084 38.7879 178.3070 48 L 3.9691 8.5726 119.9514 57.7666 41.4332 179.7061 49 I 3.8425 7.4666 118.7123 64.1711 37.4411 177.8143 50 E 4.1354 8.1075 117.9451 58.1627 29.4720 177.8215 51 R 4.3061 7.8943 116.0517 55.8059 31.9866 176.8284 52 G 3.7636 7.7585 104.3659 44.5563 0.0000 174.3717 53 G 3.8246 8.1955 107.0603 45.7359 0.0000 173.3849 54 L 3.9000 7.8782 121.4174 55.2011 42.4812 176.5148 55 D 4.8172 8.5072 125.4360 52.2702 41.2314 175.9318 56 I 3.9907 8.1156 119.5770 62.8220 38.3335 177.8036 57 Q 4.2037 8.2847 119.6877 58.4463 28.9027 177.5697 58 G 4.1406 8.0596 101.9831 46.1411 0.0000 173.2743 59 G 3.8291 8.0227 109.0761 45.4875 0.0000 173.9139 60 E 4.3846 8.6877 119.4493 56.8100 31.4256 175.9097 61 V 4.9652 7.8544 119.4862 60.9589 33.2601 174.9285 62 I 4.7456 8.8541 120.7710 59.0608 41.3720 174.3508 63 G 3.2450 8.4451 110.1289 44.4570 0.0000 172.8998 64 L 4.8344 8.8639 126.6037 52.8180 44.5495 175.9876 65 V 4.5909 8.4138 123.3449 62.9149 31.4608 175.7474 66 V 4.4546 8.6791 121.5113 62.0537 33.4550 175.8163 67 S 4.8049 7.9099 113.3925 57.9849 65.9222 173.6642 68 S 5.4032 8.4774 113.7387 58.2943 65.4657 173.4444 69 S 4.8907 9.4189 114.5864 59.2514 66.5593 172.8821 70 C 4.9896 8.5397 118.8792 58.3885 34.3189 172.3854 71 D 4.7234 9.0673 124.8705 52.4835 43.9593 174.4781 72 Y 4.3157 7.9910 119.4302 56.3991 39.8256 176.0436 73 F 4.7103 8.8237 123.0018 58.7759 41.0070 176.5913 74 A 4.5901 7.7314 118.5359 50.1225 21.8354 173.9563 75 P 4.7264 0.0000 0.0000 62.9217 32.7447 175.4320 76 V 4.8841 8.2328 113.3068 59.8092 36.5195 174.3315 77 A 5.1348 9.3004 122.3783 50.0635 22.6463 175.8751 78 F 4.2902 8.9115 124.0779 58.4309 39.8300 173.2359 79 P 4.0713 0.0000 0.0000 62.2586 31.7140 175.9200 80 Q 4.0506 8.2012 117.9161 57.2493 29.3402 176.1357 81 R 4.6153 8.3599 119.8190 55.0354 32.0503 175.5820 82 I 5.1867 7.8324 114.0962 59.2280 41.8328 173.9138 83 E 5.0919 8.9967 122.4448 55.3026 33.4443 173.3748 84 M 4.9971 9.3254 127.3584 54.0362 34.3237 175.3584 85 G 3.7188 9.6097 111.9926 45.0087 0.0000 172.3643 86 L 5.5373 8.4688 126.0368 53.1754 45.7781 175.3156 87 R 4.8015 9.1112 120.8172 55.0193 33.8219 173.6839 88 V 4.5029 8.3054 119.7138 61.4478 32.3696 176.1924 89 A 4.1001 8.6600 131.1708 54.5013 19.2136 177.6386 90 R 4.5088 7.5711 114.1282 54.8164 34.0314 174.0387 91 L 4.7025 8.5538 127.0608 53.6339 44.0972 175.4933 92 G 4.0959 8.6357 117.6494 43.8605 0.0000 171.2995 93 N 4.4405 8.7707 116.6202 56.0509 39.1746 176.5056 94 S 4.9953 8.0878 109.3978 57.7563 64.9684 173.3609 95 S 5.5607 7.9493 114.8713 57.1249 67.2737 172.9655 96 V 4.7563 8.6843 118.7441 60.4764 35.0694 172.7993 97 Q 4.7120 8.8878 125.5313 54.7203 30.9794 173.7925 98 Y 5.0678 8.3980 124.5098 56.6458 40.5725 174.3549 99 E 5.1466 9.4146 121.9876 54.6544 32.8218 175.1919 100 L 5.7570 8.9483 122.6432 52.0274 46.2574 175.3169 101 A 4.8584 7.7050 120.7459 50.4753 22.9594 174.6625 102 L 4.9703 8.7271 123.6687 53.7153 44.2044 175.4087 103 F 5.1886 9.1433 124.1771 55.2593 43.2931 174.4297 104 L 4.5294 8.5371 121.6804 54.6083 41.8713 177.8538 105 E 4.1617 9.1734 126.0713 59.2483 29.6526 177.8574 106 G 3.8222 7.9996 104.6595 46.0330 0.0000 172.1300 107 Q 4.5904 8.4608 122.7384 55.1645 32.8442 174.9245 108 R 4.4875 8.5586 118.8347 57.1294 32.2396 175.5618 109 E 4.4529 8.1669 112.3829 55.3660 30.5509 179.8735 110 A 3.6661 7.8489 125.4794 51.5101 18.6215 177.3288 111 C 4.6293 9.1861 118.3288 61.1968 30.0932 173.5181 112 A 4.9654 7.8022 117.8854 51.0587 22.3034 175.0556 113 A 4.8984 8.8014 121.0256 51.0292 23.0387 175.7837 114 G 4.0599 8.5618 108.5516 46.1210 0.0000 171.9859 115 R 5.3549 9.1101 119.8477 55.2003 35.2729 174.4329 116 F 5.6035 8.9689 115.9940 55.7417 42.2485 173.0454 117 V 4.7553 8.9670 119.8621 61.5637 33.8499 174.0386 118 H 5.2976 8.7631 125.4576 55.1066 30.3942 174.3286 119 V 4.7774 8.8432 123.3896 61.2334 34.0574 174.2462 120 F 5.1856 9.1505 126.2790 56.4659 41.0910 175.3425 121 V 4.9792 8.8744 115.0188 59.3065 36.7750 174.2279 122 E 4.3225 9.1307 125.1854 56.6028 29.8712 177.3590 123 R 3.9014 9.3222 131.2453 60.5182 30.0170 178.7006 124 R 4.1770 8.1976 115.8976 58.4021 29.9292 179.0756 125 S 4.4435 8.1037 111.2163 58.8600 64.0809 175.3785 126 S 4.1679 8.7122 114.2940 58.2937 60.6326 169.1884 127 R 4.1444 8.1821 121.3209 55.4494 30.6966 174.2238 128 P 4.6727 0.0000 0.0000 63.0432 31.7739 175.7887 129 V 4.6538 8.3436 116.2983 58.8661 35.2525 175.3657 130 A 4.3763 8.4814 123.3509 51.8162 19.1420 177.6587 131 I 3.4488 8.3297 122.2041 60.7197 37.6134 174.9403 132 P 4.3065 0.0000 0.0000 62.6766 32.2054 177.2070 133 Q 3.8966 8.6135 121.3013 59.1996 29.0481 178.0363 134 E 3.8943 8.1183 119.9148 59.4450 29.5806 178.7758 135 L 3.9716 7.7209 118.3708 57.6942 41.6652 179.2741 136 R 3.8225 8.0404 118.7295 59.4581 29.6106 178.2020 137 D 4.3335 8.5807 118.9412 57.4325 40.5840 178.7775 138 A 4.1261 7.6955 119.7650 55.1499 18.6759 179.3933 139 L 4.2023 8.4892 117.7622 57.8971 41.7877 179.6051 140 A 4.0524 8.3472 120.8409 54.7575 18.1156 179.1234 141 A 4.1832 7.7205 117.3829 53.9191 18.8139 177.9924 142 L 4.3559 7.6612 116.5066 54.4516 42.5732 176.4717 143 Q 4.6556 7.9075 118.8564 54.7052 28.8786 175.3324 144 S 3.8168 9.0877 118.2851 59.5280 62.3456 174.5172 145 S 4.0728 7.9681 119.4751 58.3520 64.3647 172.4965 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 *0 H 8.44 4.92 0.00 3.19 3.14 0.00 7.17 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.07 4.66 0.00 1.99 1.31 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 A 7.63 4.17 1.01 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 3 T 8.28 4.48 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 1.27 0.00 0.00 4 A 8.02 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.43 0.00 2.05 1.99 0.00 3.74 0.00 0.00 3.71 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 6 R 8.08 3.37 0.00 1.41 1.29 0.00 3.10 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 7 P 0.00 4.65 0.00 2.31 2.27 0.00 3.25 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 8 L 9.82 5.02 0.00 1.61 1.78 0.94 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.41 3.68 0.00 1.94 1.80 0.00 2.66 0.00 0.00 2.81 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 10 E 8.13 4.21 0.00 2.01 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 2.31 2.39 0.00 11 Q 8.24 4.13 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 12 Y 7.71 4.64 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.47 0.00 1.62 1.66 0.93 0.96 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 14 H 7.63 4.95 0.00 3.09 2.85 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.41 5.34 0.00 2.87 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 16 Q 8.87 4.59 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 17 P 0.00 4.74 0.00 2.12 2.04 0.00 3.80 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 2.01 2.01 0.00 18 I 8.31 4.73 1.49 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.87 0.00 0.00 19 S 8.76 4.55 0.00 4.04 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 20 T 8.29 4.61 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 1.27 0.00 0.00 21 R 9.54 4.86 0.00 2.22 1.84 0.00 3.22 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 22 W 8.53 2.66 0.00 2.96 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 23 H 7.98 4.58 0.00 3.21 3.24 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.17 4.38 0.00 2.84 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 25 N 7.38 4.75 0.00 2.29 2.54 0.00 0.00 6.96 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.29 4.79 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 27 I 8.01 3.51 1.69 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 1.35 0.75 0.31 0.00 0.00 28 Y 7.74 4.56 0.00 3.13 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 29 G 8.62 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 30 H 7.62 5.05 0.00 3.11 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.91 4.06 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 0.50 0.00 0.00 0.99 0.00 0.00 32 N 9.04 4.49 0.00 2.72 2.58 0.00 0.00 6.61 7.28 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 33 N 8.83 4.21 0.00 2.34 2.34 0.00 0.00 5.79 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 34 V 8.29 3.79 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 0.92 0.00 0.00 0.97 0.00 0.00 35 T 7.58 3.56 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 0.33 0.00 0.00 36 Y 7.67 3.68 0.00 2.81 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 3.48 0.00 3.16 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 38 A 7.72 4.06 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 39 F 7.76 4.53 0.00 3.23 3.02 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 0.00 0.00 0.00 40 F 8.39 4.63 0.00 3.27 3.29 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 41 D 8.41 4.33 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 42 T 8.08 3.93 4.55 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 1.31 0.00 0.00 43 A 8.28 4.32 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 44 V 7.83 3.44 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 0.41 0.00 0.00 0.23 0.00 0.00 45 N 8.48 4.63 0.00 2.97 2.93 0.00 0.00 7.14 6.62 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 46 T 8.36 3.90 4.66 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 1.29 0.00 0.00 47 Y 8.17 3.97 0.00 3.08 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 48 L 8.57 3.97 0.00 1.95 1.86 1.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.47 3.84 1.89 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 1.71 0.67 0.92 0.00 0.00 50 E 8.11 4.14 0.00 1.88 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 2.57 0.00 51 R 7.89 4.31 0.00 0.69 1.58 0.00 3.24 0.00 0.00 3.21 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 52 G 7.76 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 53 G 8.20 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 0.00 0.00 0.00 54 L 7.88 3.90 0.00 1.68 1.73 1.05 1.09 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 55 D 8.51 4.82 0.00 2.77 2.53 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 56 I 8.12 3.99 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.96 0.00 0.00 57 Q 8.28 4.20 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 58 G 8.06 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.69 4.38 0.00 1.95 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 2.36 2.31 0.00 61 V 7.85 4.97 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 0.97 0.00 0.00 62 I 8.85 4.75 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.95 0.00 0.00 63 G 8.45 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.86 4.83 0.00 1.52 1.55 0.91 0.50 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 65 V 8.41 4.59 2.06 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 0.77 0.00 0.00 0.89 0.00 0.00 66 V 8.68 4.45 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 0.78 0.00 0.00 1.01 0.00 0.00 67 S 7.91 4.80 0.00 3.90 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 68 S 8.48 5.40 0.00 4.23 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 69 S 9.42 4.89 0.00 3.96 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 0.00 70 C 8.54 4.99 0.00 2.52 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 0.00 0.00 0.00 71 D 9.07 4.72 0.00 2.15 1.86 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 72 Y 7.99 4.32 0.00 2.70 2.57 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 73 F 8.82 4.71 0.00 2.91 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 74 A 7.73 4.59 1.27 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 0.00 0.00 0.00 75 P 0.00 4.73 0.00 1.78 1.94 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 76 V 8.23 4.88 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 0.84 0.00 0.00 1.03 0.00 0.00 77 A 9.30 5.13 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 78 F 8.91 4.29 0.00 3.11 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 79 P 0.00 4.07 0.00 1.72 0.56 0.00 3.62 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 80 Q 8.20 4.05 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 81 R 8.36 4.62 0.00 1.74 1.82 0.00 3.04 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 82 I 7.83 5.19 1.84 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.43 0.85 0.00 0.00 83 E 9.00 5.09 0.00 2.08 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 2.43 2.37 0.00 84 M 9.33 5.00 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 85 G 9.61 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.47 5.54 0.00 1.61 1.46 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.11 4.80 0.00 1.91 1.86 0.00 2.60 0.00 0.00 2.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 88 V 8.31 4.50 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 0.82 0.00 0.00 0.92 0.00 0.00 89 A 8.66 4.10 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 R 7.57 4.51 0.00 1.79 1.63 0.00 3.09 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 91 L 8.55 4.70 0.00 1.56 1.49 0.87 0.99 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 92 G 8.64 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 93 N 8.77 4.44 0.00 2.77 2.82 0.00 0.00 6.44 7.63 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 94 S 8.09 5.00 0.00 4.00 4.13 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 95 S 7.95 5.56 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.76 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 0.47 0.00 0.00 0.55 0.00 0.00 97 Q 8.89 4.71 0.00 2.01 1.87 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 2.17 2.38 0.00 98 Y 8.40 5.07 0.00 2.48 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 99 E 9.41 5.15 0.00 1.83 1.87 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 2.18 2.20 0.00 100 L 8.95 5.76 0.00 0.46 1.16 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.70 4.86 0.54 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 0.00 0.00 102 L 8.73 4.97 0.00 1.95 1.69 0.78 1.22 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 0.00 103 F 9.14 5.19 0.00 3.07 2.93 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 0.00 104 L 8.54 4.53 0.00 1.67 1.64 1.03 0.80 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 0.00 105 E 9.17 4.16 0.00 1.91 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 2.30 2.23 0.00 106 G 8.00 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 0.00 0.00 0.00 107 Q 8.46 4.59 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 108 R 8.56 4.49 0.00 1.73 1.86 0.00 3.29 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 109 E 8.17 4.45 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 2.22 1.87 0.00 110 A 7.85 3.67 0.91 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 0.00 111 C 9.19 4.63 0.00 2.95 3.34 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 0.00 112 A 7.80 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.80 4.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 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 0.00 115 R 9.11 5.35 0.00 1.81 1.84 0.00 3.16 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 116 F 8.97 5.60 0.00 3.40 3.27 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 0.00 117 V 8.97 4.76 2.16 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 1.10 0.00 0.00 0.94 0.00 0.00 118 H 8.76 5.30 0.00 3.27 2.93 0.00 5.65 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 0.00 119 V 8.84 4.78 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 1.01 0.00 0.00 0.96 0.00 0.00 120 F 9.15 5.19 0.00 3.12 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 0.00 121 V 8.87 4.98 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 0.71 0.00 0.00 0.94 0.00 0.00 122 E 9.13 4.32 0.00 2.32 1.85 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 2.31 2.14 0.00 123 R 9.32 3.90 0.00 1.91 2.03 0.00 3.54 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 124 R 8.20 4.18 0.00 1.87 1.82 0.00 3.30 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 125 S 8.10 4.44 0.00 3.97 4.02 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 0.00 0.00 0.00 126 S 8.71 4.17 0.00 4.03 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 0.00 127 R 8.18 4.14 0.00 1.88 1.88 0.00 3.28 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 128 P 0.00 4.67 0.00 1.96 2.08 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 129 V 8.34 4.65 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 0.97 0.00 0.00 130 A 8.48 4.38 1.27 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 0.00 0.00 0.00 131 I 8.33 3.45 1.71 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 0.97 0.73 0.40 0.00 0.00 132 P 0.00 4.31 0.00 2.07 1.93 0.00 3.25 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 2.04 2.03 0.00 133 Q 8.61 3.90 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 134 E 8.12 3.89 0.00 2.04 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 2.35 2.39 0.00 135 L 7.72 3.97 0.00 1.68 1.51 0.73 0.89 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 0.00 136 R 8.04 3.82 0.00 1.85 2.02 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 137 D 8.58 4.33 0.00 2.81 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 0.00 138 A 7.70 4.13 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 0.00 139 L 8.49 4.20 0.00 1.84 1.75 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.35 4.05 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 0.00 141 A 7.72 4.18 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 0.00 142 L 7.66 4.36 0.00 1.77 1.64 0.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.91 4.66 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 144 S 9.09 3.82 0.00 3.90 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 0.00 145 S 7.97 4.07 0.00 4.06 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 0.00 * Residues marked with a * may have inaccurate shift predictions.