NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 H 4.5762 8.4449 120.3628 56.2323 30.7484 172.2557 -8 H 4.6898 8.0395 123.9926 53.0413 30.8764 173.4746 -7 H 4.1017 8.6603 122.6178 55.9296 32.2905 175.1458 -6 E 3.6049 8.3884 128.9210 59.5432 29.3276 178.3585 -5 N 4.3156 7.6940 115.0485 56.7464 39.1975 176.0847 -4 L 4.0011 7.2210 122.1796 57.7273 42.2785 177.7992 -3 Y 2.3900 7.6430 119.7467 60.0878 38.2780 177.4344 -2 F 4.8457 7.3739 114.7374 56.6955 39.6811 176.1322 -1 Q 4.2055 7.5894 119.0370 55.7722 28.9800 177.8170 0 G 3.7222 8.6567 109.4408 46.4162 0.0000 173.8336 -7 Y 3.9217 8.3603 124.7178 58.8296 41.0905 176.9458 -6 P 3.6749 0.0000 0.0000 66.2432 31.5276 179.0585 -5 D 4.2156 7.6340 116.7485 57.8464 41.3975 177.1847 -4 L 4.0011 7.2210 122.1796 57.7273 42.2785 177.7992 -3 V 2.0000 7.5530 118.6467 64.3878 33.3781 177.8344 -2 H 4.9557 7.4939 112.6374 53.9955 29.0811 174.4322 -1 L 4.2055 7.4294 121.0370 55.1722 41.9800 179.4170 0 G 3.7222 8.6567 109.4408 46.4162 0.0000 173.8336 10 G 3.8367 8.6984 105.8111 44.4631 0.0000 174.7402 11 A 4.2342 8.6062 122.6271 54.4562 18.0839 179.5906 12 D 4.4365 8.3478 117.7703 56.9739 38.8651 178.9813 13 K 3.9918 8.0618 118.2100 57.9600 32.2323 176.9954 14 Y 4.8258 8.0835 117.4593 56.0586 39.0807 177.7091 15 F 4.1279 8.7014 123.2511 61.8750 39.3749 176.0032 16 E 3.8081 8.2968 117.3530 59.3192 29.1622 179.0975 17 E 3.9673 8.1093 118.1651 59.4113 29.5578 179.2690 18 I 3.6280 7.8449 119.8948 64.1742 37.1715 178.1016 19 L 3.5810 7.7342 121.5362 58.1368 41.5715 178.6891 20 E 3.8983 7.8011 117.8945 59.1498 29.6090 178.7134 21 I 3.8290 7.5440 119.4552 64.6231 37.3506 178.9427 22 V 3.5760 7.7977 113.4227 64.0452 30.9587 177.5529 23 N 4.9786 7.7888 113.4976 53.5443 38.3865 176.2260 24 K 4.1825 7.6506 120.2610 57.6113 32.3449 177.4312 25 I 4.0130 7.4739 119.7564 61.1961 38.3136 174.8223 26 K 4.7038 8.5132 125.0626 56.0336 35.6598 175.8701 27 L 4.0433 8.7412 123.9196 55.5835 39.9708 175.9274 28 F 4.3706 7.9354 112.7361 56.7257 39.5163 176.0286 29 G 4.1116 8.1274 108.9050 44.8205 0.0000 173.6675 30 D 4.7573 8.3031 121.4295 53.1906 41.9949 176.2355 31 F 4.5525 9.4756 121.1920 57.1499 39.7233 176.9696 32 S 4.5406 9.4237 120.9269 58.1043 64.9811 175.3415 33 N 4.6667 8.7748 119.8519 56.5736 38.3241 177.4736 34 E 4.0549 8.3217 119.6060 59.4991 29.5596 179.0541 35 E 4.1453 8.3449 118.5414 59.6054 29.5432 179.6522 36 V 3.6399 8.0938 118.2583 65.9248 31.3216 178.1654 37 R 4.1523 8.5203 117.4376 59.5350 30.2667 178.0763 38 Y 4.2859 8.2698 119.1384 60.7172 38.8111 177.5590 39 L 4.0112 8.4042 121.4033 58.7251 41.9091 178.7181 40 C 4.1561 8.3062 115.6587 62.7761 28.1139 175.9407 41 S 4.2625 7.9124 114.5950 60.3414 62.7746 173.7201 42 Y 4.2663 7.9092 120.4174 58.4704 38.3359 175.2278 *44 Q 4.2837 7.8456 116.9941 56.1017 30.7951 174.3245 45 C 5.0947 8.1069 117.6850 58.2299 31.2786 173.0531 46 Y 5.2707 8.2886 118.6076 56.1842 42.2491 173.8880 47 A 5.0542 8.7440 122.8605 49.5051 21.0814 175.9358 48 A 4.9377 9.2476 125.0698 49.3973 22.1668 174.5945 49 P 4.8800 0.0000 0.0000 61.6875 33.3388 175.9638 50 R 4.0902 8.4249 116.7094 57.7502 29.6153 176.7238 51 D 4.4934 9.0381 118.7128 54.6591 39.6075 173.8195 52 C 4.0620 7.8022 121.5217 59.8471 32.5343 172.7470 53 Q 4.4044 8.7161 128.0956 55.3780 27.2839 174.9876 54 L 4.1688 8.7382 125.9722 56.8237 42.3872 177.5989 55 L 4.8427 7.7352 116.8212 53.0496 46.3891 175.6883 56 T 4.7688 8.1997 118.1367 61.2246 71.6640 173.2627 57 E 4.1525 8.7627 127.8878 58.1516 29.9621 177.2539 58 G 3.9741 8.8270 114.6324 45.3862 0.0000 173.4843 59 D 4.6409 7.8172 119.6516 52.9328 41.6797 174.1792 60 P 4.6458 0.0000 0.0000 63.0731 32.0979 177.8646 61 G 4.1059 8.0763 109.7349 44.6929 0.0000 171.8932 62 D 4.8611 8.1323 124.5496 53.4395 40.7844 176.3552 63 Y 5.3163 7.2637 115.2580 57.1004 40.8145 173.1296 64 L 4.9101 9.1099 121.0041 53.9780 44.5833 174.8391 65 L 5.3724 9.0970 119.2159 53.0086 45.0435 175.7003 66 L 4.9610 9.0748 124.1565 53.1870 43.5991 175.9459 67 I 4.1884 8.7538 126.9297 61.3586 37.3784 176.9808 68 L 4.3897 8.9763 128.8380 57.2190 42.5479 177.4221 69 T 4.4862 7.9276 106.4783 61.5072 72.4250 172.7590 70 G 4.0818 9.0972 106.8747 44.3369 0.0000 171.7625 71 E 5.0073 8.3217 118.4756 55.0319 33.7745 175.7370 72 V 4.8886 8.9319 125.5375 61.4797 35.4659 173.3577 73 N 4.9837 9.2648 126.0029 52.1690 40.5915 174.1901 74 V 4.6077 8.7555 124.6595 61.7184 33.0240 174.5568 75 I 5.0709 8.8271 129.2330 59.4581 40.8733 174.7364 76 K 4.9102 8.8053 125.8977 54.8314 36.1709 174.9077 77 D 4.9699 8.8990 127.0615 53.7797 41.3252 175.5591 78 I 4.2109 9.0376 129.1348 59.1771 38.3057 174.1355 79 P 4.2535 0.0000 0.0000 65.2475 31.7849 175.2424 80 N 5.0605 9.2009 121.1579 52.4250 36.1593 173.1006 81 K 4.1488 7.7690 116.4075 57.4453 33.1588 176.6871 82 G 3.7903 8.5547 104.5520 44.0207 0.0000 171.5213 83 I 4.4851 8.0538 121.4325 60.9226 37.8469 175.1671 84 Q 4.6597 8.7281 123.7405 54.1733 33.4757 174.6291 85 T 4.6472 8.5717 119.3256 63.6834 68.4304 174.4482 86 I 4.3281 8.8384 120.5506 61.7414 39.2267 175.5680 87 A 4.6261 7.5066 122.2398 50.8982 22.4436 175.0698 88 K 5.0536 8.5797 118.3219 54.7539 35.4972 176.0946 89 V 4.5092 9.0123 116.8955 59.8631 36.3688 174.7381 90 G 3.8174 8.0984 109.4252 43.6711 0.0000 171.3789 91 A 4.2730 8.6780 123.8819 54.2732 18.6103 178.2669 92 G 3.9222 9.2593 112.0781 44.8244 0.0000 173.7521 93 A 4.3234 7.9473 121.6531 51.8349 19.9363 176.3636 94 I 5.0231 8.2080 120.0098 59.4552 39.7828 175.2649 95 I 4.5689 8.4552 119.4321 59.9624 41.2085 176.3728 96 G 3.8558 8.8689 111.0487 45.7098 0.0000 175.2718 97 E 4.0996 7.6915 116.6536 56.1956 28.6172 177.2777 *99 S 4.2804 7.9849 112.6305 59.6836 64.4547 176.2889 *101 I 4.0754 7.9289 122.2184 60.6817 38.7127 176.4967 102 D 4.7450 7.9138 115.3823 52.0261 40.8953 174.5452 103 G 3.4543 7.9678 108.8425 45.3639 0.0000 171.1891 *105 P 4.2943 0.0000 0.0000 61.9947 33.3272 177.0996 106 R 3.9251 8.6068 118.8244 56.3090 30.3762 178.1674 107 S 4.2061 8.5892 116.0079 60.2832 63.7037 173.3161 108 A 4.5549 7.3306 120.4514 51.2443 22.0358 175.5500 109 S 4.7881 8.9631 115.6827 57.7382 65.5412 173.6805 110 C 5.1969 8.8983 119.7966 58.1118 31.6452 173.1965 111 V 4.8718 8.8666 124.2716 60.5718 34.2597 174.3677 112 A 4.6464 9.1179 131.0585 52.3052 18.5327 177.9262 113 S 4.4596 8.8122 118.0951 59.5058 64.1463 174.2845 114 L 4.9552 7.6772 118.6300 51.6575 45.3846 174.5389 115 P 4.5261 0.0000 0.0000 63.7056 32.0721 176.1326 116 T 4.8900 8.9447 119.8552 61.9843 72.2084 172.5819 117 D 5.5021 8.8210 126.0115 52.8513 43.6590 175.4224 118 F 5.1444 8.5703 115.6227 55.8328 41.8101 172.8256 119 A 5.1802 9.0806 122.4963 50.5873 21.5270 175.9421 120 V 4.9831 8.7095 120.8011 61.0542 33.8425 174.6210 121 L 4.8395 8.8579 130.4271 53.2455 44.2239 176.1659 122 S 4.8503 8.5955 121.0739 57.3990 64.6202 175.1382 123 R 3.6722 8.8479 121.8570 59.4333 29.6571 178.2118 124 D 4.4726 8.0838 117.1788 57.4805 41.1617 178.0378 125 A 4.2433 8.2556 121.2472 55.0544 18.3470 179.4029 126 L 3.7990 7.9531 118.8326 58.4344 42.1278 178.5509 127 Y 4.4248 8.1999 117.0990 61.5496 37.7988 178.9720 128 Q 4.1298 8.4631 118.6531 58.8517 28.6337 178.5382 129 L 3.9457 8.0558 120.5629 58.1722 42.1502 178.7272 130 L 4.1442 8.1567 117.6258 57.7452 41.6680 179.1073 131 A 4.2046 8.0446 119.4346 55.2897 18.5414 178.8860 132 N 4.5335 8.7222 112.4454 54.2700 38.8957 174.2434 *134 P 4.4973 0.0000 0.0000 62.6447 33.3413 178.9523 135 K 4.2398 7.8726 119.3169 58.5593 31.9094 178.9482 136 L 4.0919 7.9256 120.3978 57.8225 42.0450 178.6968 137 G 3.7973 8.1825 105.3674 48.1541 0.0000 174.7629 138 N 4.2346 8.2879 119.2121 56.2007 38.5718 177.6661 139 K 3.7330 7.4280 118.1503 59.0898 31.9610 179.6084 140 V 3.8433 7.8196 118.5926 66.1667 31.4154 178.1206 141 L 3.9821 8.2073 118.9822 57.8534 41.3588 179.6121 142 I 3.4921 7.8499 119.9068 64.1832 36.9048 178.2807 143 R 3.9444 8.1658 119.6199 59.6925 29.8874 178.6086 144 L 3.9998 8.1317 118.6042 57.5218 41.4847 179.4332 145 L 3.9575 8.1646 119.2862 58.0958 41.6139 179.6860 146 Q 4.0678 8.3655 119.5438 58.0308 28.5906 178.3553 147 L 3.9249 8.1505 121.7415 58.3489 42.0429 179.2518 148 L 4.0105 7.9292 118.9012 57.9172 41.4638 179.5236 149 T 3.9660 8.2659 109.8202 64.8718 68.5331 176.3088 150 A 4.0903 8.0607 123.7685 54.7733 18.4229 179.5961 151 R 3.7662 8.1051 117.1919 59.4131 30.0580 178.5892 152 F 3.7072 8.4799 117.9731 60.6799 38.9740 177.9168 153 R 4.0121 8.1888 117.4616 59.4648 29.7475 179.1275 154 E 4.0635 8.5512 118.9566 59.2035 29.4136 179.6194 155 S 4.1399 8.1594 114.4903 61.5027 63.3179 175.8701 156 Y 4.4928 8.1256 120.7996 61.3501 37.5174 178.6490 157 D 4.4646 8.2143 117.9251 57.1702 40.9372 178.3722 158 R 4.2243 7.5737 118.0139 58.2679 30.6492 177.7174 159 I 4.1557 8.3270 119.2324 63.3304 37.8641 177.8040 160 L 3.9852 7.7728 119.4671 57.6464 41.3568 177.8808 161 P 4.4202 0.0000 0.0000 64.4172 31.3240 177.5448 162 K 4.4028 7.8469 116.3477 55.5529 32.5912 176.4599 163 T 4.4187 7.1697 110.1025 60.3642 70.2450 173.8693 164 L 4.5663 8.2441 123.8483 54.3787 44.7373 177.3765 165 G 3.7675 8.8455 116.0596 44.9582 0.0000 172.7282 166 E 4.1686 8.4079 114.5867 55.9316 30.2114 172.7812 167 L 4.4363 8.4293 122.5256 54.9074 42.5929 176.9462 168 I 4.1880 7.4978 116.3442 60.8919 37.7019 174.9873 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 -9 H 8.44 4.58 0.00 3.00 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.04 4.69 0.00 3.03 3.15 0.00 5.76 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 -7 H 8.66 4.10 0.00 3.17 3.00 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.39 3.60 0.00 2.01 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 2.55 2.56 0.00 -5 N 7.69 4.32 0.00 2.92 2.92 0.00 0.00 6.91 7.78 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 -4 L 7.22 4.00 0.00 0.99 1.44 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.64 2.39 0.00 2.51 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 0.00 0.00 0.00 0.00 -2 F 7.37 4.85 0.00 3.12 2.92 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 -1 Q 7.59 4.21 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.56 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 0 G 8.66 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 -7 Y 8.36 3.92 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 P 0.00 3.67 0.00 2.24 1.82 0.00 2.20 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 2.26 2.27 0.00 -5 D 7.63 4.22 0.00 2.81 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 -4 L 7.22 4.00 0.00 0.99 1.44 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 -3 V 7.55 2.00 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 0.93 0.00 0.00 0.93 0.00 0.00 -2 H 7.49 4.96 0.00 3.27 3.04 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 7.43 4.21 0.00 1.69 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.66 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 10 G 8.70 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 11 A 8.61 4.23 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 12 D 8.35 4.44 0.00 2.89 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 13 K 8.06 3.99 0.00 1.80 1.48 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.53 7.81 14 Y 8.08 4.83 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.70 4.13 0.00 3.24 3.07 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 16 E 8.30 3.81 0.00 2.05 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 2.64 2.43 0.00 17 E 8.11 3.97 0.00 2.31 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 0.00 2.51 2.51 0.00 18 I 7.84 3.63 1.85 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 1.73 0.99 0.80 0.00 0.00 19 L 7.73 3.58 0.00 0.95 1.45 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.80 3.90 0.00 2.03 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 0.00 2.31 2.37 0.00 21 I 7.54 3.83 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.91 0.00 0.00 22 V 7.80 3.58 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 0.00 0.00 0.57 0.00 0.00 0.26 0.00 0.00 23 N 7.79 4.98 0.00 2.90 2.89 0.00 0.00 7.07 7.12 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 24 K 7.65 4.18 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.78 1.53 7.81 25 I 7.47 4.01 2.22 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 1.22 0.00 0.00 26 K 8.51 4.70 0.00 1.90 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.43 7.81 27 L 8.74 4.04 0.00 1.78 1.46 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.94 4.37 0.00 2.96 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 29 G 8.13 4.11 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 0.00 0.00 0.00 30 D 8.30 4.76 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 31 F 9.48 4.55 0.00 3.00 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 32 S 9.42 4.54 0.00 4.09 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 33 N 8.77 4.67 0.00 2.89 3.20 0.00 0.00 6.82 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 34 E 8.32 4.05 0.00 2.08 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 2.44 2.45 0.00 35 E 8.34 4.15 0.00 2.47 2.30 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 2.42 2.41 0.00 36 V 8.09 3.64 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 37 R 8.52 4.15 0.00 2.12 2.06 0.00 3.19 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 38 Y 8.27 4.29 0.00 3.21 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 39 L 8.40 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.88 0.00 2.13 2.19 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 50 R 8.42 4.09 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 51 D 9.04 4.49 0.00 2.83 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 52 C 7.80 4.06 0.00 3.17 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 53 Q 8.72 4.40 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 54 L 8.74 4.17 0.00 1.53 1.42 0.76 0.55 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 55 L 7.74 4.84 0.00 1.43 1.37 0.74 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.20 4.77 4.44 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 1.21 0.00 0.00 57 E 8.76 4.15 0.00 1.88 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 2.30 2.33 0.00 58 G 8.83 3.97 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 0.00 0.00 0.00 59 D 7.82 4.64 0.00 2.99 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 60 P 0.00 4.65 0.00 2.09 2.01 0.00 3.70 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 2.06 2.10 0.00 61 G 8.08 4.11 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 0.00 0.00 0.00 62 D 8.13 4.86 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.26 5.32 0.00 3.00 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 64 L 9.11 4.91 0.00 1.86 1.80 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.10 5.37 0.00 1.43 1.47 0.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.07 4.96 0.00 1.64 1.62 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.75 4.19 2.01 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 1.36 0.78 1.01 0.00 0.00 68 L 8.98 4.39 0.00 1.52 1.69 0.40 1.07 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 69 T 7.93 4.49 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 70 G 9.10 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 0.00 0.00 0.00 71 E 8.32 5.01 0.00 1.99 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 2.20 2.39 0.00 72 V 8.93 4.89 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 0.94 0.00 0.00 0.90 0.00 0.00 73 N 9.26 4.98 0.00 2.63 2.69 0.00 0.00 6.18 7.22 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 74 V 8.76 4.61 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 0.80 0.00 0.00 0.88 0.00 0.00 75 I 8.83 5.07 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.93 0.00 0.00 76 K 8.81 4.91 0.00 1.75 1.54 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 77 D 8.90 4.97 0.00 2.74 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 78 I 9.04 4.21 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.91 0.00 0.00 79 P 0.00 4.25 0.00 2.03 2.02 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 80 N 9.20 5.06 0.00 2.88 3.01 0.00 0.00 6.86 7.44 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 81 K 7.77 4.15 0.00 1.73 1.88 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 82 G 8.55 3.79 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 0.00 0.00 0.00 83 I 8.05 4.49 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.90 0.00 0.00 84 Q 8.73 4.66 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 85 T 8.57 4.65 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 1.27 0.00 0.00 86 I 8.84 4.33 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 0.94 0.00 0.00 87 A 7.51 4.63 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 88 K 8.58 5.05 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 89 V 9.01 4.51 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 0.72 0.00 0.00 0.95 0.00 0.00 90 G 8.10 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0.00 0.00 118 F 8.57 5.14 0.00 3.19 3.08 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 0.00 119 A 9.08 5.18 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 0.00 120 V 8.71 4.98 2.34 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 0.83 0.00 0.00 1.36 0.00 0.00 121 L 8.86 4.84 0.00 1.84 1.53 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.60 4.85 0.00 3.85 3.65 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 0.00 123 R 8.85 3.67 0.00 1.74 1.78 0.00 2.95 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.29 0.00 124 D 8.08 4.47 0.00 2.94 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 0.00 125 A 8.26 4.24 1.54 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 0.00 126 L 7.95 3.80 0.00 1.71 1.72 0.88 0.75 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 0.00 127 Y 8.20 4.42 0.00 3.24 2.92 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 0.00 128 Q 8.46 4.13 0.00 2.62 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 129 L 8.06 3.95 0.00 1.07 1.72 0.69 0.85 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 0.00 130 L 8.16 4.14 0.00 1.84 1.77 0.99 0.73 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 0.00 131 A 8.04 4.20 1.42 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 0.00 0.00 132 N 8.72 4.53 0.00 2.93 3.07 0.00 0.00 7.09 5.58 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 *134 P 0.00 4.50 0.00 2.24 2.35 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 135 K 7.87 4.24 0.00 1.80 1.87 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.34 7.81 136 L 7.93 4.09 0.00 1.78 1.70 1.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.18 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 N 8.29 4.23 0.00 2.86 2.81 0.00 0.00 7.10 7.99 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 0.00 139 K 7.43 3.73 0.00 1.36 0.74 0.00 1.01 0.00 0.00 1.05 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 1.32 7.81 140 V 7.82 3.84 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.18 0.00 0.00 141 L 8.21 3.98 0.00 1.77 1.65 0.91 0.78 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 0.00 142 I 7.85 3.49 1.68 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.47 0.64 0.00 0.00 143 R 8.17 3.94 0.00 2.22 2.27 0.00 3.21 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 144 L 8.13 4.00 0.00 1.86 1.69 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.16 3.96 0.00 1.81 1.68 0.81 1.34 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 0.00 146 Q 8.37 4.07 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 147 L 8.15 3.92 0.00 1.75 1.93 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.93 4.01 0.00 1.93 1.78 0.96 0.71 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 0.00 149 T 8.27 3.97 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 1.26 0.00 0.00 150 A 8.06 4.09 1.40 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 0.00 0.00 151 R 8.11 3.77 0.00 2.02 2.03 0.00 3.01 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 152 F 8.48 3.71 0.00 3.24 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 0.00 153 R 8.19 4.01 0.00 2.03 2.04 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 154 E 8.55 4.06 0.00 2.03 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 2.34 2.46 0.00 155 S 8.16 4.14 0.00 4.01 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 0.00 156 Y 8.13 4.49 0.00 3.25 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.21 4.46 0.00 2.85 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 0.00 158 R 7.57 4.22 0.00 1.79 2.07 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 159 I 8.33 4.16 2.03 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 1.54 0.63 0.94 0.00 0.00 160 L 7.77 3.99 0.00 1.83 1.70 0.54 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.42 0.00 2.03 2.12 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 162 K 7.85 4.40 0.00 1.86 1.84 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.54 7.81 163 T 7.17 4.42 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 164 L 8.24 4.57 0.00 1.55 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.85 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 0.00 166 E 8.41 4.17 0.00 2.00 1.75 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 2.23 1.90 0.00 167 L 8.43 4.44 0.00 1.61 1.75 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.50 4.19 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 0.66 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.