NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5109 8.1933 117.0992 57.6569 64.6684 175.2977 5 N 4.1836 8.2376 121.9381 56.4486 38.1264 175.4707 6 R 3.8339 8.0907 119.9189 59.4766 30.6773 177.7363 7 Q 3.9355 8.0794 118.8296 59.3201 28.9225 178.4934 8 R 3.8541 8.2956 118.9270 59.2023 30.1589 178.8851 9 A 3.9271 8.1360 120.8753 55.3554 18.2982 179.8206 10 T 3.8572 8.1760 108.6326 64.8527 68.8689 176.9953 11 G 3.5250 8.3864 109.0549 47.2210 0.0000 175.3604 12 L 3.6251 8.0679 122.9934 58.0022 42.1661 179.4073 13 V 3.0177 7.3732 118.0016 65.6014 31.2136 177.9280 14 Q 4.1009 8.2538 118.0675 58.9829 28.5754 178.7286 15 A 3.9499 7.8818 121.7269 54.9974 18.2900 178.9856 16 Y 3.9719 7.5459 118.1788 61.2220 38.7375 178.1611 17 Y 4.3173 8.0125 117.5677 60.8675 37.9487 177.7377 18 E 3.9702 8.7385 120.6487 59.2034 29.6511 178.8420 19 A 3.8813 8.1663 120.7628 54.9735 18.5087 179.1363 20 F 3.8780 8.1967 119.2357 61.8002 39.2459 177.2728 21 N 4.3705 8.4666 114.6003 55.9590 38.4024 176.9600 22 R 4.0793 7.6942 117.6135 55.9112 30.3728 177.0095 23 G 2.3336 6.8734 106.5106 45.9393 0.0000 174.6250 24 D 4.2591 6.9962 120.7860 51.7353 39.5374 175.8133 25 W 4.6795 7.2662 122.3856 59.6053 30.2254 177.6270 26 D 4.4945 8.4038 117.6046 57.5408 40.6495 179.0309 27 A 4.1232 7.9267 119.5787 52.4929 17.7993 179.1272 *29 L 4.2615 8.0241 121.4338 56.2848 43.5772 179.1562 30 A 4.0842 7.4853 119.5984 54.3719 18.5246 178.1600 31 F 4.6494 7.6605 112.7508 58.9924 39.9623 175.4035 32 L 5.0123 7.6832 119.2191 53.0114 43.0395 176.7489 33 A 4.2654 8.9880 125.1554 52.1385 19.3268 178.6026 34 E 4.0031 9.1028 119.3619 58.9613 29.7594 177.9931 35 D 5.2791 7.7523 117.5165 52.5311 40.1884 177.4060 36 V 3.9633 7.7624 118.4810 63.4454 32.7218 174.5253 37 A 4.9213 8.9270 125.9030 50.9347 20.8670 175.2621 38 H 5.1590 9.2051 123.6152 54.5670 32.4742 172.7685 39 D 4.8862 8.8355 127.7490 52.8398 41.8768 176.2088 40 L 4.0680 8.1899 124.8362 53.7570 43.2119 176.6492 41 N 4.3859 8.5799 121.5243 54.8259 39.2099 174.8484 42 Q 3.6681 8.8915 123.4985 56.6446 26.4863 173.1357 43 G 4.0478 7.7047 106.6648 43.4843 0.0000 170.8789 44 P 4.5154 0.0000 0.0000 62.3063 33.1415 175.1710 45 R 4.7013 8.2755 120.8000 55.7298 30.9368 175.0978 46 E 4.7700 9.1789 125.7993 54.5618 32.8363 174.7998 47 I 4.8067 8.4250 124.0352 60.6882 39.6815 176.0068 48 G 4.6189 9.4451 113.4374 45.2121 0.0000 174.9451 49 R 4.0679 8.7402 118.5923 58.8903 30.0512 179.3184 50 A 4.0146 8.0919 119.9969 55.1896 18.4293 179.3022 51 A 4.0051 8.0625 118.7880 55.3223 18.4422 179.4515 52 F 3.9351 8.1918 118.4506 61.3545 39.4633 177.1185 53 A 4.1182 8.8474 120.8191 55.5102 18.1024 179.8532 54 S 4.1052 8.3758 113.6214 61.4367 62.6297 176.6087 55 F 4.0629 8.4523 123.0505 61.4518 39.2419 176.9412 56 L 3.8212 8.1318 117.2561 57.4240 41.6089 179.0065 57 Q 3.9881 8.0296 119.5598 59.1512 27.8397 179.8857 58 R 3.7230 7.7825 116.1926 56.9801 29.8141 178.1841 *60 N 5.3232 8.0270 116.6101 53.3789 40.5383 175.6790 61 D 4.5292 8.0269 117.5837 56.5362 41.2772 177.1672 62 S 4.5821 7.4574 113.9890 57.7068 65.9569 173.9440 63 Y 5.6162 7.6029 115.2061 56.3116 42.4924 174.6385 64 R 5.2142 9.1720 120.8048 55.1812 33.8493 173.6462 65 E 5.4638 8.8950 122.8013 55.1823 33.2077 173.8574 66 Q 4.9871 9.5046 117.7077 54.6303 32.7783 173.7884 67 L 5.0700 9.5273 120.8363 53.4128 43.3313 176.4326 68 R 4.5298 9.2654 123.2058 53.8810 33.6364 175.4774 69 D 4.4361 8.4344 116.7329 55.5631 38.3246 174.8133 70 I 4.1912 7.7357 118.7653 61.1307 38.3588 176.8581 71 V 4.2291 8.9975 128.7793 61.3317 33.0815 174.3198 72 V 5.0603 8.4193 128.6046 61.3909 33.1181 174.7898 73 T 4.9356 9.1759 117.3222 60.2474 72.4197 172.5171 74 A 5.2640 8.3010 122.8523 50.5901 22.7045 175.5345 75 N 4.6601 8.7566 117.2745 52.3485 38.6212 176.2918 76 D 4.4181 8.7065 119.0989 57.3752 41.0450 178.0097 77 E 4.0488 8.1950 117.0816 56.9930 29.7247 176.8700 78 G 3.9178 8.0816 106.9195 47.0411 0.0000 174.3126 79 T 5.0176 8.4489 109.9966 60.2528 71.6502 173.7961 80 R 5.1809 8.1614 121.1956 54.4584 34.3171 174.2160 81 V 4.8883 9.1015 123.1413 61.0979 35.1127 174.3920 82 G 4.5221 9.2551 114.0652 44.5976 0.0000 172.1160 83 A 5.3406 8.6999 123.0034 50.1883 22.8707 174.7937 84 E 5.0118 9.1042 123.6273 54.5203 32.8847 174.2127 85 Y 5.2590 8.1418 122.2488 55.4809 42.7292 173.7319 86 V 4.8079 8.8034 119.9144 61.1139 33.9531 174.5532 87 V 4.5455 9.1669 129.5216 62.9173 33.0043 174.2739 88 H 5.2580 9.4210 125.2281 54.1881 31.6714 173.2533 89 G 4.0402 8.4960 110.3216 44.9089 0.0000 170.9900 90 V 4.9269 8.6999 118.7580 60.0253 34.6178 174.7711 91 Y 5.2032 9.4905 126.0604 57.2027 38.3390 174.8114 92 H 4.6447 8.9674 122.7056 56.6724 30.2063 175.9029 93 T 4.5860 7.2121 114.7542 61.4869 72.7163 173.7023 94 T 3.9449 8.5894 122.5646 64.0229 69.3534 173.0498 95 D 5.0617 9.3319 124.3530 51.7576 44.1775 175.1128 96 E 4.0354 8.5746 122.4100 57.9629 29.7871 177.9016 97 G 4.0030 9.1474 110.7622 45.4436 0.0000 172.6548 98 L 4.8769 7.1466 117.2331 51.5945 45.2144 174.4630 99 P 4.4992 0.0000 0.0000 62.4437 31.8668 176.3070 100 D 4.4304 8.4150 119.2736 54.2861 41.2923 176.6296 101 A 3.5104 8.1948 126.6725 52.0736 18.7280 177.9862 102 N 4.8147 9.5163 120.0012 52.4861 37.7533 175.1098 103 G 3.8691 7.8752 105.1827 46.8323 0.0000 174.4308 104 Q 4.2971 8.1556 118.6058 56.1201 29.7033 175.7335 105 T 5.1585 8.5579 113.6504 60.4394 71.1749 173.4346 106 Y 5.1876 8.4271 120.9224 55.4848 41.7904 174.4970 107 V 5.4269 9.4140 121.4750 60.8142 34.4429 174.0874 108 L 4.6530 8.3522 126.0412 54.1197 43.4137 172.8689 109 P 4.8662 0.0000 0.0000 63.2355 32.6104 175.3978 110 G 3.7682 8.0203 107.8431 46.1537 0.0000 171.7128 111 G 4.3116 8.3816 104.2502 45.5929 0.0000 172.5261 112 A 5.2244 8.8913 121.8058 50.4059 23.3325 175.1932 113 F 5.3349 8.7969 117.0427 55.7990 43.2986 174.5410 114 F 5.9058 9.4958 119.4687 54.9157 43.5163 173.3309 115 D 5.4118 8.7529 121.3385 52.8646 43.2072 175.3455 116 V 4.8004 8.7667 126.0361 61.8526 34.1596 175.4283 117 R 4.6896 9.3972 125.6777 56.4748 33.9088 171.0751 118 D 4.6655 9.8847 121.3514 54.8122 38.3665 174.8418 119 G 4.0126 8.5209 105.7658 45.4401 0.0000 172.3512 120 Q 4.6358 7.7059 116.8756 53.8890 32.9968 173.6268 121 I 4.7057 8.5566 120.2506 61.3786 37.7369 177.0707 122 T 4.6026 9.1046 117.3528 61.8168 70.9470 174.2344 123 R 5.0512 7.7568 122.6385 55.0247 34.0494 173.4493 124 V 4.1112 9.0939 126.1789 61.3928 34.4289 174.2982 125 T 4.5097 8.5155 126.0789 61.8614 70.5602 172.8146 126 N 5.0874 8.2012 125.6461 52.0828 41.1761 173.7233 127 Y 5.4474 9.1754 121.6213 55.8283 42.6403 173.7642 128 Y 4.8283 8.1355 119.1929 55.3071 41.3192 174.1740 129 N 4.5860 8.8241 117.9078 52.7508 39.0343 174.7626 130 L 4.2480 8.2809 130.8696 58.1415 42.3660 178.4825 131 Q 4.0405 8.2007 117.7849 58.8682 28.7260 178.1709 132 E 3.9841 8.6585 120.4101 58.9110 29.6943 178.6870 133 W 4.0603 8.2849 128.4165 60.6036 30.9310 177.9200 134 I 3.3555 8.3456 119.8394 64.3054 36.3045 178.2779 135 A 3.9620 7.7602 120.4617 55.2964 18.6136 179.4392 136 Q 4.0387 8.0568 116.5443 58.9390 28.5848 178.8868 137 V 3.8970 7.0658 111.4603 62.7250 31.7635 177.5691 138 S 4.5911 7.3349 113.2711 58.3289 63.0143 174.2744 139 R 4.1182 7.4222 125.5627 56.4937 29.8519 176.2921 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 4 S 8.19 4.51 0.00 3.67 3.90 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 5 N 8.24 4.18 0.00 2.95 3.03 0.00 0.00 6.67 6.78 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 6 R 8.09 3.83 0.00 1.94 1.92 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 7 Q 8.08 3.94 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 8 R 8.30 3.85 0.00 2.06 1.94 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 9 A 8.14 3.93 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 10 T 8.18 3.86 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 1.26 0.00 0.00 11 G 8.39 3.52 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 0.00 12 L 8.07 3.63 0.00 1.60 1.67 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.37 3.02 1.70 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 0.31 0.00 0.00 -0.06 0.00 0.00 14 Q 8.25 4.10 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 15 A 7.88 3.95 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 16 Y 7.55 3.97 0.00 2.60 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 17 Y 8.01 4.32 0.00 3.25 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 18 E 8.74 3.97 0.00 2.13 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 0.00 2.32 2.49 0.00 19 A 8.17 3.88 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 20 F 8.20 3.88 0.00 3.05 3.33 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 21 N 8.47 4.37 0.00 2.98 2.88 0.00 0.00 7.15 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 22 R 7.69 4.08 0.00 1.86 1.77 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 23 G 6.87 2.33 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 0.00 24 D 7.00 4.26 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.27 4.68 0.00 3.35 3.18 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 26 D 8.40 4.49 0.00 2.68 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 27 A 7.93 4.12 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 *29 L 8.02 4.26 0.00 1.76 1.78 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.49 4.08 1.15 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 0.00 0.00 0.00 0.00 0.00 31 F 7.66 4.65 0.00 3.14 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 32 L 7.68 5.01 0.00 1.66 1.59 0.39 0.84 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 33 A 8.99 4.27 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 34 E 9.10 4.00 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 2.41 2.38 0.00 35 D 7.75 5.28 0.00 2.67 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 36 V 7.76 3.96 2.24 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 0.85 0.00 0.00 1.04 0.00 0.00 37 A 8.93 4.92 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 38 H 9.21 5.16 0.00 3.08 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.84 4.89 0.00 2.39 2.41 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 40 L 8.19 4.07 0.00 1.60 1.43 0.36 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.58 4.39 0.00 2.69 2.27 0.00 0.00 7.16 6.72 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 42 Q 8.89 3.67 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 43 G 7.70 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 44 P 0.00 4.52 0.00 2.07 2.16 0.00 3.62 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 2.00 1.92 0.00 45 R 8.28 4.70 0.00 1.92 1.81 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 46 E 9.18 4.77 0.00 1.73 1.74 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 2.15 2.12 0.00 47 I 8.43 4.81 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 1.27 0.85 0.93 0.00 0.00 48 G 9.45 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.74 4.07 0.00 1.92 2.05 0.00 3.16 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 50 A 8.09 4.01 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 51 A 8.06 4.01 1.44 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 0.00 0.00 52 F 8.19 3.94 0.00 3.34 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 53 A 8.85 4.12 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 54 S 8.38 4.11 0.00 4.09 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 55 F 8.45 4.06 0.00 2.89 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.13 3.82 0.00 1.62 0.91 1.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.03 3.99 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 58 R 7.78 3.72 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 *60 N 8.03 5.32 0.00 2.66 2.95 0.00 0.00 7.31 8.06 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 61 D 8.03 4.53 0.00 2.86 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 62 S 7.46 4.58 0.00 2.99 3.16 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 63 Y 7.60 5.62 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.17 5.21 0.00 2.01 1.83 0.00 3.10 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 65 E 8.90 5.46 0.00 2.22 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 0.00 2.49 2.76 0.00 66 Q 9.50 4.99 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 67 L 9.53 5.07 0.00 1.26 1.27 0.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.27 4.53 0.00 1.76 1.84 0.00 3.00 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 69 D 8.43 4.44 0.00 2.83 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 I 7.74 4.19 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.80 0.00 0.00 71 V 9.00 4.23 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 0.94 0.00 0.00 0.94 0.00 0.00 72 V 8.42 5.06 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 0.92 0.00 0.00 1.03 0.00 0.00 73 T 9.18 4.94 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 1.24 0.00 0.00 74 A 8.30 5.26 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 75 N 8.76 4.66 0.00 2.95 3.00 0.00 0.00 7.33 8.07 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 76 D 8.71 4.42 0.00 2.70 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 77 E 8.19 4.05 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 78 G 8.08 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 79 T 8.45 5.02 4.26 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 1.25 0.00 0.00 80 R 8.16 5.18 0.00 1.75 1.90 0.00 3.37 0.00 0.00 3.28 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 81 V 9.10 4.89 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 1.05 0.00 0.00 0.89 0.00 0.00 82 G 9.26 4.52 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 0.00 83 A 8.70 5.34 1.55 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 84 E 9.10 5.01 0.00 1.98 1.73 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 2.06 2.16 0.00 85 Y 8.14 5.26 0.00 2.91 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 86 V 8.80 4.81 2.21 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 0.86 0.00 0.00 0.98 0.00 0.00 87 V 9.17 4.55 2.29 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 1.13 0.00 0.00 1.27 0.00 0.00 88 H 9.42 5.26 0.00 3.04 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.50 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 90 V 8.70 4.93 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 0.91 0.00 0.00 1.07 0.00 0.00 91 Y 9.49 5.20 0.00 3.28 3.05 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 92 H 8.97 4.64 0.00 3.15 3.45 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.21 4.59 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 94 T 8.59 3.94 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 1.31 0.00 0.00 95 D 9.33 5.06 0.00 2.80 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 96 E 8.57 4.04 0.00 2.04 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 2.34 2.35 0.00 97 G 9.15 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 0.00 0.00 0.00 98 L 7.15 4.88 0.00 1.83 1.59 0.67 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.50 0.00 2.12 2.04 0.00 3.71 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 2.05 2.14 0.00 100 D 8.41 4.43 0.00 2.62 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 0.00 101 A 8.19 3.51 0.27 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 0.00 102 N 9.52 4.81 0.00 2.70 2.77 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 0.00 103 G 7.88 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 0.00 104 Q 8.16 4.30 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 105 T 8.56 5.16 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 1.21 0.00 0.00 106 Y 8.43 5.19 0.00 3.07 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 0.00 107 V 9.41 5.43 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 0.59 0.00 0.00 0.90 0.00 0.00 108 L 8.35 4.65 0.00 1.82 1.82 1.13 0.99 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 0.00 109 P 0.00 4.87 0.00 1.92 1.98 0.00 3.75 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 2.03 2.09 0.00 110 G 8.02 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 0.00 0.00 0.00 111 G 8.38 4.31 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 0.00 112 A 8.89 5.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.80 5.33 0.00 2.94 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 0.00 114 F 9.50 5.91 0.00 2.86 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 0.00 115 D 8.75 5.41 0.00 2.62 2.60 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 0.00 116 V 8.77 4.80 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 0.95 0.00 0.00 0.86 0.00 0.00 117 R 9.40 4.69 0.00 1.70 1.70 0.00 3.47 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 118 D 9.88 4.67 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 0.00 119 G 8.52 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 0.00 120 Q 7.71 4.64 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 121 I 8.56 4.71 1.84 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 1.05 0.00 0.00 122 T 9.10 4.60 4.26 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 1.23 0.00 0.00 123 R 7.76 5.05 0.00 1.87 1.90 0.00 3.08 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 124 V 9.09 4.11 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 0.83 0.00 0.00 0.91 0.00 0.00 125 T 8.52 4.51 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 0.80 0.00 0.00 126 N 8.20 5.09 0.00 2.67 2.61 0.00 0.00 7.00 7.59 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 0.00 127 Y 9.18 5.45 0.00 3.06 2.65 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 0.00 128 Y 8.14 4.83 0.00 2.93 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 0.00 129 N 8.82 4.59 0.00 2.84 2.89 0.00 0.00 6.51 6.66 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 0.00 130 L 8.28 4.25 0.00 1.55 1.59 1.01 0.90 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 0.00 131 Q 8.20 4.04 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 132 E 8.66 3.98 0.00 2.16 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 0.00 2.39 2.46 0.00 133 W 8.28 4.06 0.00 3.50 3.46 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 0.00 134 I 8.35 3.36 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.89 0.00 0.00 135 A 7.76 3.96 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 0.00 136 Q 8.06 4.04 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 137 V 7.07 3.90 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 -0.16 0.00 0.00 -0.17 0.00 0.00 138 S 7.33 4.59 0.00 3.86 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 0.00 139 R 7.42 4.12 0.00 2.03 1.85 0.00 3.31 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.