NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2667 8.3293 118.8261 54.1793 29.3539 172.5839 4 L 4.2092 6.9738 120.1306 54.8702 42.9223 172.6387 5 T 4.5956 8.2116 107.9084 59.9262 72.2568 174.3614 6 L 4.6535 8.1299 124.4373 53.3636 43.3164 175.9078 7 D 4.4609 8.2721 117.5107 53.9499 42.9845 176.4502 8 K 3.8039 8.6710 125.5422 60.1458 32.2650 178.9643 9 T 4.0713 7.8337 108.4677 63.9218 68.6255 176.0392 10 D 4.3523 7.9767 121.0036 57.2716 41.1581 178.0362 11 I 3.5788 7.8063 120.5111 64.2151 37.0485 178.2267 12 K 3.8778 7.5126 118.7379 59.7455 31.9242 179.0012 13 I 3.6690 7.6641 119.5876 64.7016 37.0690 178.4316 14 L 4.0588 7.4357 119.1182 57.7750 41.2594 179.4249 15 Q 4.0179 8.3930 118.4920 58.8621 28.5327 179.2243 16 V 3.5305 8.5349 119.5707 66.1185 31.7802 178.1367 17 L 4.2004 7.7786 118.2610 57.9811 41.1973 179.5103 18 Q 4.0398 8.0289 117.2154 58.7256 28.6543 178.4258 19 E 4.4139 7.5454 118.4585 57.6016 31.2680 176.9471 20 N 4.9193 8.2934 119.4648 51.1364 38.6939 175.1518 21 G 4.1177 8.4032 111.1535 47.4699 0.0000 171.9958 22 R 4.4691 7.7569 118.5818 55.8357 30.1995 175.9563 23 L 4.1671 7.2133 114.9123 54.4219 42.2710 177.6053 24 T 4.2582 8.4922 112.7079 61.1022 71.1681 175.5497 25 N 4.0010 8.7880 121.4235 56.9382 38.6237 177.3105 26 V 3.6101 7.6058 120.3396 65.6563 31.5525 177.8179 27 E 4.1388 7.9782 116.7287 59.0285 29.4053 179.0522 28 L 4.1041 8.5621 121.5224 58.1878 41.8223 179.1272 29 S 4.1382 8.6093 114.0923 60.8915 62.5191 175.4909 30 E 4.2930 7.6711 120.7438 57.5021 29.6722 177.4854 31 R 4.4975 7.9901 116.5378 56.0392 30.9697 176.8365 32 V 4.2177 7.4058 109.5169 59.9281 33.2011 175.2062 33 A 3.7087 7.9724 121.0055 52.9752 15.8830 177.0165 34 L 4.5494 7.2782 119.9162 54.6749 43.7204 176.3178 35 S 4.1628 8.4264 118.0595 57.7273 62.3398 172.3812 36 P 4.0778 0.0000 0.0000 67.1651 31.9598 178.0122 37 S 4.2698 7.9383 111.3552 60.8354 62.6376 174.5483 38 P 4.3701 0.0000 0.0000 64.9713 30.4984 177.8141 39 C 4.1347 7.8873 118.4223 62.1183 31.4598 175.0481 40 L 4.0528 8.0128 122.0871 57.5977 41.4014 178.7815 41 R 3.8974 7.8360 117.8613 59.4379 30.2721 178.2762 42 R 4.0667 7.7598 117.8929 59.1721 30.1542 178.6861 43 L 3.9725 7.6320 119.3900 57.9948 41.8871 178.5324 44 K 4.4601 7.8457 118.8362 57.8023 32.1111 177.4123 45 Q 4.4966 8.0234 116.6049 57.7387 30.3853 177.1564 46 L 4.1991 7.6554 119.8614 57.3835 41.8016 178.5406 47 E 3.9833 8.1643 119.1788 58.8680 31.1818 177.7280 48 D 4.6709 7.8789 119.9297 51.8240 39.7712 174.5398 49 A 4.3567 7.0270 127.9936 53.3345 26.2446 177.4945 50 G 3.9889 7.4466 111.2761 45.9988 0.0000 174.4518 51 I 3.6516 7.3769 121.8620 64.3031 37.3109 176.4501 52 V 3.7146 7.5083 122.3092 62.2609 31.4628 175.7686 53 R 4.1836 8.5377 124.7918 58.3009 30.1486 176.6202 54 Q 4.5104 7.3443 113.2009 54.6234 31.1442 172.6902 55 Y 4.5529 8.5063 117.1326 56.4433 39.4754 175.2359 56 A 4.6384 8.2927 125.9322 50.2630 22.4601 174.9498 57 A 4.3601 8.4960 123.5963 51.0589 19.2974 177.1564 58 L 4.4233 8.4221 123.6988 53.7791 42.7232 176.5323 59 L 4.5751 8.1336 123.1601 52.8107 44.1385 175.8534 60 S 4.4385 8.2000 115.0200 56.8676 63.0710 172.7683 61 P 4.0713 0.0000 0.0000 65.9052 31.1660 178.3330 62 E 4.0408 8.2547 116.9151 59.5297 29.1640 179.5027 63 S 4.2369 7.7827 113.3920 60.6080 62.9902 175.9477 64 V 4.1733 7.4587 113.4362 60.8493 32.2822 176.2614 65 N 4.6189 8.1856 118.5968 53.6747 39.3040 174.3255 66 L 4.8063 7.3219 117.4841 55.3715 38.1865 177.0783 67 G 3.8058 8.6619 108.1814 47.4895 0.0000 170.8440 68 L 4.7472 8.4826 123.4722 53.2885 44.9353 175.0666 69 Q 4.5326 8.7595 128.1139 54.3096 30.9363 173.7388 70 A 4.8642 8.4692 129.0796 50.5009 21.6846 175.7094 71 F 4.9536 9.5001 120.7078 55.9734 41.6298 174.4975 72 I 4.8287 8.8239 125.8875 59.6113 39.6752 175.2546 73 R 5.0558 9.2153 127.3433 55.0114 31.4997 175.4068 74 V 5.0344 9.0407 125.5178 60.9593 34.4141 174.5448 75 S 5.1299 8.7683 122.0822 56.6546 65.8170 172.6352 76 I 4.7257 8.0618 121.2963 58.8693 40.1868 175.0402 77 R 3.9244 9.4472 130.3014 55.9563 30.4340 177.4165 78 K 4.2182 8.3114 128.9343 55.0310 30.7248 174.3181 79 A 4.7565 7.2437 123.6172 49.4151 22.2273 176.6994 80 K 3.7287 8.8141 118.8683 58.9454 31.6044 178.7288 81 D 4.2153 8.1138 121.4170 54.4319 38.1759 175.3199 82 A 4.5746 7.3451 126.2906 53.7707 19.6041 179.0860 83 R 3.9639 7.8944 117.7660 59.3797 30.2673 178.1413 84 E 4.0774 8.1520 116.9992 59.1414 29.8951 178.6508 85 D 4.3175 7.6246 118.5173 57.1320 40.8446 178.3591 86 F 3.8718 8.0930 120.5030 61.1040 39.3979 176.6327 87 A 3.6530 7.8463 120.0863 55.3831 17.9509 179.3431 88 A 3.8156 8.1334 117.7776 55.2924 18.6007 179.5258 89 S 3.8587 7.1939 112.6831 60.9365 63.2986 176.9401 90 V 2.5133 6.5778 120.9954 65.4125 30.8128 178.2192 91 R 3.8622 7.2060 117.2795 59.0580 29.9331 178.6933 92 K 4.3364 7.2874 116.8447 57.1465 32.0582 177.2031 93 W 4.7120 7.2013 118.7960 55.5022 28.7967 175.2910 94 P 4.3186 0.0000 0.0000 65.3038 31.3116 178.0919 95 E 3.6799 8.1611 115.9697 58.6305 29.5304 176.4162 96 V 4.0742 7.2439 119.0314 61.9177 31.0747 175.4558 97 L 4.3605 8.6657 128.8277 57.3044 41.9589 177.9187 98 S 4.6189 7.8454 111.6120 56.7408 66.9451 172.4219 99 C 5.1123 7.6943 120.6680 58.1645 34.3429 172.9619 100 F 5.0952 9.4425 124.0174 55.6971 43.0038 174.3576 101 A 4.5165 8.9194 124.6347 51.0630 18.3820 177.0531 102 L 4.5177 8.2678 121.4523 54.9610 43.3354 176.9079 103 T 4.2929 8.2439 110.7344 60.8229 70.9058 174.6296 104 G 3.8496 8.3993 106.3589 44.2640 0.0000 172.8687 105 E 4.0560 8.8399 117.8276 59.5467 29.6868 177.4627 106 T 4.5495 7.5002 113.1457 62.3607 70.5873 174.5548 107 D 4.4295 8.6058 124.3747 56.7317 42.2599 176.0081 108 Y 5.3120 8.4042 114.9882 55.9346 42.2215 174.4942 109 L 5.3652 9.4012 124.6881 53.3653 45.2844 174.9188 110 L 5.2942 9.4003 126.1064 53.0124 45.1562 175.1570 111 Q 4.3587 9.1407 124.8326 54.3524 30.8577 174.0373 112 A 5.1902 8.6122 128.0365 50.0315 23.0602 174.2995 113 F 5.1120 8.2501 116.7900 55.9041 42.5382 174.8394 114 F 4.8755 9.5541 119.7746 56.4816 43.2531 175.9878 115 T 4.2584 9.2051 116.7643 66.9835 69.1317 175.0492 116 D 4.6761 8.2232 119.0588 54.1364 43.9447 176.3891 *118 N 4.6144 9.6738 114.7981 52.9723 41.1858 176.1837 119 A 4.0745 8.4229 119.8117 55.2827 18.3081 179.5159 120 F 3.2687 7.9113 119.0767 60.8416 39.3205 177.4279 121 S 3.9168 7.9053 112.4396 61.7469 62.3559 175.6004 122 H 4.0702 8.0489 118.3874 58.7927 28.3343 177.6384 123 F 3.8966 7.9516 122.0998 61.1089 39.1915 177.4362 124 V 3.1482 7.4667 117.9030 65.7978 31.1005 178.0252 125 L 3.8129 7.7542 117.4761 57.9082 41.6989 178.8612 126 D 4.4885 7.6281 115.9826 55.5443 40.5152 177.1976 127 T 4.0965 7.0074 113.2740 64.9489 70.5237 175.5675 128 L 3.5349 7.0638 122.3158 58.0643 41.9841 178.9151 129 L 4.1336 8.0152 119.4056 56.8554 41.8580 178.2951 130 S 4.4030 7.1289 108.5197 58.6559 63.7741 173.6940 131 H 4.4729 8.0603 123.5523 55.7066 30.1605 175.5357 132 H 4.2168 8.8195 122.6750 58.5327 28.2114 176.2944 133 G 3.8559 8.1206 106.3809 47.6147 0.0000 173.5946 134 V 4.2782 7.8388 121.0899 62.4684 31.1611 175.8908 135 Q 4.1931 8.6422 130.3553 58.9618 29.4849 175.4750 136 D 4.9060 7.7605 115.1941 52.9197 45.1676 173.6065 137 A 5.2545 8.2885 122.9146 50.4499 22.9038 176.1357 138 Q 4.2972 9.0729 121.1482 55.2352 31.8825 173.3680 139 S 5.2705 8.7186 123.0027 56.6194 65.0740 174.0235 140 S 4.5191 8.7952 118.8434 56.3956 66.0518 173.0060 141 F 5.3126 8.5042 119.7955 55.6199 42.0272 174.9549 142 V 3.9928 8.2938 121.4969 62.7704 31.3762 176.0600 143 L 4.4245 8.6255 127.0579 55.9941 42.6713 176.9055 144 K 4.3457 7.6150 116.6685 55.5023 34.8433 175.0041 145 E 4.4128 8.6071 128.0087 54.4936 28.3913 175.2395 146 I 3.8962 8.1494 124.9542 63.3863 37.6153 176.6227 147 K 4.5396 7.5161 117.7007 55.4798 34.9411 175.0157 148 H 4.5540 8.3258 122.3723 56.1066 30.9171 172.6219 149 T 4.5851 8.2590 121.2778 60.3591 70.0589 173.6224 150 T 4.2517 8.3996 116.2514 62.1483 69.3993 174.4662 151 S 4.4670 7.7126 119.7717 57.7986 63.4945 174.2125 152 L 4.3761 8.2629 125.6052 53.2389 42.4776 174.8003 153 P 4.5234 0.0000 0.0000 62.8581 32.1924 176.1348 154 L 4.6960 8.2914 118.4668 54.3386 43.7531 177.7891 155 N 4.5450 8.0889 117.1394 55.4157 38.7647 176.5892 156 H 4.3497 8.1307 112.9985 57.7020 28.7340 176.1004 157 L 4.2270 7.3776 119.0685 55.2049 42.0220 176.6505 158 L 4.2199 7.4777 123.9282 55.7428 40.6115 176.4004 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.33 4.27 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 4 L 6.97 4.21 0.00 1.78 1.67 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.60 4.40 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 1.21 0.00 0.00 6 L 8.13 4.65 0.00 1.81 1.72 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.27 4.46 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.67 3.80 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 9 T 7.83 4.07 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 1.29 0.00 0.00 10 D 7.98 4.35 0.00 2.81 2.87 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 11 I 7.81 3.58 2.05 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 1.49 0.62 0.89 0.00 0.00 12 K 7.51 3.88 0.00 2.15 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 13 I 7.66 3.67 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.10 0.94 0.00 0.00 14 L 7.44 4.06 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.39 4.02 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 16 V 8.53 3.53 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 1.14 0.00 0.00 0.96 0.00 0.00 17 L 7.78 4.20 0.00 1.88 1.81 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.03 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 19 E 7.55 4.41 0.00 1.99 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 2.52 2.49 0.00 20 N 8.29 4.92 0.00 2.78 2.72 0.00 0.00 6.98 8.28 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 21 G 8.40 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.76 4.47 0.00 1.78 1.90 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 23 L 7.21 4.17 0.00 1.75 1.59 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.49 4.26 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 1.29 0.00 0.00 25 N 8.79 4.00 0.00 2.83 2.86 0.00 0.00 6.78 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.61 3.61 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 1.23 0.00 0.00 0.92 0.00 0.00 27 E 7.98 4.14 0.00 2.13 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 2.31 0.00 28 L 8.56 4.10 0.00 1.83 1.83 0.94 0.68 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 29 S 8.61 4.14 0.00 4.22 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 30 E 7.67 4.29 0.00 2.11 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 2.31 2.43 0.00 31 R 7.99 4.50 0.00 1.87 1.96 0.00 3.11 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 32 V 7.41 4.22 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 0.74 0.00 0.00 1.03 0.00 0.00 33 A 7.97 3.71 1.35 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 0.00 0.00 0.00 34 L 7.28 4.55 0.00 1.59 1.56 0.93 0.91 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 35 S 8.43 4.16 0.00 3.89 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 36 P 0.00 4.08 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 37 S 7.94 4.27 0.00 3.88 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 38 P 0.00 4.37 0.00 2.19 2.09 0.00 3.64 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 2.11 2.15 0.00 39 C 7.89 4.13 0.00 3.11 3.14 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 40 L 8.01 4.05 0.00 1.77 1.78 0.91 0.60 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 41 R 7.84 3.90 0.00 1.82 2.07 0.00 3.35 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 42 R 7.76 4.07 0.00 1.97 1.97 0.00 3.36 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 43 L 7.63 3.97 0.00 1.82 1.69 1.11 0.32 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 44 K 7.85 4.46 0.00 2.00 2.02 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.35 7.81 45 Q 8.02 4.50 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 46 L 7.66 4.20 0.00 1.72 1.67 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 3.98 0.00 2.12 2.19 0.00 0.00 0.00 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 2.46 0.00 48 D 7.88 4.67 0.00 2.92 2.62 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 49 A 7.03 4.36 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 50 G 7.45 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 0.00 0.00 0.00 51 I 7.38 3.65 1.86 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 1.30 0.58 0.90 0.00 0.00 52 V 7.51 3.71 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 0.09 0.00 0.00 0.88 0.00 0.00 53 R 8.54 4.18 0.00 1.93 2.00 0.00 3.10 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 54 Q 7.34 4.51 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 55 Y 8.51 4.55 0.00 2.97 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 56 A 8.29 4.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.50 4.36 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 58 L 8.42 4.42 0.00 1.64 1.61 0.91 1.01 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 59 L 8.13 4.58 0.00 1.52 1.51 0.87 0.89 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 60 S 8.20 4.44 0.00 3.84 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 61 P 0.00 4.07 0.00 2.29 1.91 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.79 0.00 62 E 8.25 4.04 0.00 1.99 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 2.45 2.35 0.00 63 S 7.78 4.24 0.00 3.96 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 64 V 7.46 4.17 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 0.75 0.00 0.00 0.96 0.00 0.00 65 N 8.19 4.62 0.00 2.93 3.02 0.00 0.00 7.25 6.67 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 66 L 7.32 4.81 0.00 1.72 1.77 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.66 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 68 L 8.48 4.75 0.00 1.71 1.75 0.57 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.76 4.53 0.00 1.61 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 70 A 8.47 4.86 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 71 F 9.50 4.95 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.82 4.83 2.10 0.00 0.00 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 1.41 0.86 1.12 0.00 0.00 73 R 9.22 5.06 0.00 1.91 1.93 0.00 3.09 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 74 V 9.04 5.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.23 0.00 0.00 75 S 8.77 5.13 0.00 3.93 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 76 I 8.06 4.73 1.96 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.99 0.00 0.00 77 R 9.45 3.92 0.00 1.85 1.84 0.00 3.52 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 78 K 8.31 4.22 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.49 7.81 79 A 7.24 4.76 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 80 K 8.81 3.73 0.00 1.77 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 81 D 8.11 4.22 0.00 2.96 3.26 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 82 A 7.35 4.57 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 83 R 7.89 3.96 0.00 1.97 2.00 0.00 3.26 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 84 E 8.15 4.08 0.00 2.24 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 0.00 2.53 2.40 0.00 85 D 7.62 4.32 0.00 2.96 2.87 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 86 F 8.09 3.87 0.00 3.07 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 87 A 7.85 3.65 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 88 A 8.13 3.82 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 89 S 7.19 3.86 0.00 2.99 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 90 V 6.58 2.51 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.24 0.00 0.00 91 R 7.21 3.86 0.00 1.80 1.85 0.00 3.18 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 92 K 7.29 4.34 0.00 1.76 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.50 7.81 93 W 7.20 4.71 0.00 3.55 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 94 P 0.00 4.32 0.00 2.03 2.11 0.00 3.80 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 95 E 8.16 3.68 0.00 1.29 1.77 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 2.07 1.47 0.00 96 V 7.24 4.07 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 0.85 0.00 0.00 1.31 0.00 0.00 97 L 8.67 4.36 0.00 1.81 1.75 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.85 4.62 0.00 3.52 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 99 C 7.69 5.11 0.00 2.86 2.62 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 0.00 100 F 9.44 5.10 0.00 3.07 2.91 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 0.00 101 A 8.92 4.52 1.17 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 0.00 0.00 102 L 8.27 4.52 0.00 1.57 1.60 0.95 0.80 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 0.00 103 T 8.24 4.29 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 104 G 8.40 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.84 4.06 0.00 1.96 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 2.30 2.28 0.00 106 T 7.50 4.55 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 1.33 0.00 0.00 107 D 8.61 4.43 0.00 2.62 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.36 0.00 0.00 116 D 8.22 4.68 0.00 2.72 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 0.00 0.00 0.00 0.00 *118 N 9.67 4.61 0.00 2.94 2.92 0.00 0.00 6.70 8.00 0.00 0.00 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 8.42 4.07 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 0.00 120 F 7.91 3.27 0.00 2.58 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 0.00 121 S 7.91 3.92 0.00 3.96 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 0.00 122 H 8.05 4.07 0.00 3.24 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.95 3.90 0.00 3.24 2.99 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 0.00 124 V 7.47 3.15 1.66 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 0.90 0.00 0.00 -0.66 0.00 0.00 125 L 7.75 3.81 0.00 1.57 1.60 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.63 4.49 0.00 2.66 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 0.00 127 T 7.01 4.10 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 -0.08 0.00 0.00 128 L 7.06 3.53 0.00 0.97 1.40 1.28 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 0.00 129 L 8.02 4.13 0.00 1.65 1.68 0.89 1.20 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 0.00 130 S 7.13 4.40 0.00 3.96 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 0.00 131 H 8.06 4.47 0.00 3.58 3.48 0.00 5.60 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 0.00 132 H 8.82 4.22 0.00 3.31 3.42 0.00 5.57 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 0.00 133 G 8.12 3.86 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 0.00 0.00 0.00 134 V 7.84 4.28 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 0.76 0.00 0.00 1.23 0.00 0.00 135 Q 8.64 4.19 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 136 D 7.76 4.91 0.00 2.72 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 0.00 137 A 8.29 5.25 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 0.00 138 Q 9.07 4.30 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 139 S 8.72 5.27 0.00 3.83 3.35 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 0.00 140 S 8.80 4.52 0.00 3.75 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 0.00 141 F 8.50 5.31 0.00 2.87 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 0.00 142 V 8.29 3.99 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 0.83 0.00 0.00 1.13 0.00 0.00 143 L 8.63 4.42 0.00 1.67 1.72 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.62 4.35 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 145 E 8.61 4.41 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 146 I 8.15 3.90 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.92 0.00 0.00 147 K 7.52 4.54 0.00 1.68 1.64 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.33 4.55 0.00 3.15 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.26 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 150 T 8.40 4.25 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 1.21 0.00 0.00 151 S 7.71 4.47 0.00 3.92 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 0.00 152 L 8.26 4.38 0.00 1.65 1.61 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.52 0.00 2.22 2.06 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 154 L 8.29 4.70 0.00 1.66 1.61 0.91 0.73 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 0.00 155 N 8.09 4.55 0.00 2.80 2.86 0.00 0.00 6.84 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 0.00 156 H 8.13 4.35 0.00 3.26 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.38 4.23 0.00 1.71 1.69 0.86 0.99 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 0.00 158 L 7.48 4.22 0.00 1.76 1.63 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.