NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4425 8.3344 115.4184 58.3263 64.3712 173.3667 16 S 4.4068 8.2731 118.1785 55.6325 62.7304 170.4469 17 E 4.2510 8.6604 126.0816 57.3241 30.6335 177.4538 18 L 3.9667 7.9002 120.8639 58.1025 42.2997 178.2942 19 F 4.1913 8.0559 120.5236 61.7799 39.3888 177.1425 20 T 3.7712 7.6557 114.6773 66.6896 68.2432 176.6845 21 L 4.0566 8.5394 121.1374 57.9983 41.6683 179.6327 22 T 3.8233 8.4539 116.0555 66.8344 68.3794 176.0097 23 Y 3.9501 8.3982 121.8320 60.5723 38.7147 178.4130 24 G 3.6222 8.0685 106.4581 46.9910 0.0000 175.6015 25 A 3.9859 7.8678 123.1128 54.6133 18.2881 179.3342 26 L 3.7380 7.6731 118.9008 58.2884 42.0644 179.1354 27 V 3.2382 7.2032 117.8968 66.3034 31.1285 177.6467 28 T 3.8486 7.4634 113.9321 67.0859 68.6767 175.5792 29 Q 4.0345 8.2593 121.0976 59.3921 28.9844 178.2382 30 L 4.1264 8.2500 119.8413 58.4932 41.6165 179.5812 31 C 4.2342 8.1924 115.1351 62.6052 28.0152 176.0764 32 K 4.1884 7.9080 119.5008 59.2460 31.9047 178.6452 33 D 4.3407 8.0557 117.7079 55.8646 41.2148 176.2336 34 Y 4.6692 7.8527 116.1663 56.1140 39.8540 175.9773 35 E 4.1245 8.8796 123.2823 58.0732 30.4285 176.5057 36 N 4.9687 7.9679 117.5613 51.4292 40.9498 174.8265 37 D 4.4009 8.7815 125.5552 57.5234 40.4039 178.4031 38 E 3.9620 8.5113 118.6585 59.7268 29.3858 179.0181 39 D 4.2662 7.9834 118.3278 56.9556 40.8479 178.9082 40 V 3.1879 7.3389 118.4654 65.8339 31.5671 177.6303 41 N 4.2940 8.0091 116.2698 56.1839 38.4517 177.5954 42 K 3.9456 7.5204 119.2439 59.4821 32.0851 179.2861 43 Q 3.9664 7.9522 119.8275 58.9311 28.9312 178.0989 44 L 3.9932 8.0076 120.3420 57.7305 41.5506 178.9402 45 D 4.3929 8.0168 117.7085 57.0991 41.1591 178.3550 46 R 3.9075 7.9362 118.9895 59.6944 30.2384 178.3585 47 M 4.2343 8.4885 119.0329 58.2410 31.9289 178.9687 48 G 3.6309 8.2802 105.8563 48.0392 0.0000 174.8291 49 Y 4.2340 8.2660 122.7046 60.7381 39.0615 178.2726 50 N 4.4105 8.5234 117.0055 56.1419 38.5250 177.5604 51 I 3.8870 7.6955 121.4584 64.0566 37.3044 178.5082 52 G 3.4331 8.4689 106.9129 47.8629 0.0000 176.0126 53 V 3.6238 7.3063 112.9850 62.8934 31.6067 178.0575 54 R 4.2721 6.9864 117.2836 58.2202 30.7013 178.2313 55 L 3.9014 8.3182 120.3553 58.1300 41.8516 178.6773 56 I 3.7098 7.6648 118.5715 64.1403 37.8151 177.7208 57 E 3.9642 8.0387 119.0640 59.4334 29.1561 178.6436 58 D 4.3757 8.1734 117.5546 57.3346 41.2961 177.8299 59 F 4.4348 8.5450 122.4967 60.9604 39.5219 177.0485 60 L 3.7683 8.2817 118.3526 57.7341 41.2211 179.3895 61 A 4.0692 7.9601 119.2345 54.2502 18.3433 178.9286 62 R 4.2130 7.3017 115.6172 57.2488 31.0156 177.9571 63 S 4.3211 7.5496 112.2276 57.2703 64.0333 174.0137 64 N 4.1667 7.6351 117.9746 54.2045 36.2172 174.6049 65 V 3.9208 7.6050 110.2419 60.7431 32.6604 176.6563 66 G 4.0424 8.1801 112.2273 43.9621 0.0000 174.2619 67 R 4.1346 8.0794 116.0484 56.4487 29.6401 177.8676 *69 H 4.7023 8.6238 122.1653 55.9711 30.4725 172.9920 70 D 4.4988 7.6948 118.6335 52.0415 44.3526 175.5188 71 F 4.7592 8.9861 128.9329 61.1090 39.4862 177.1710 72 R 3.8519 7.8560 118.2210 59.1749 29.9926 178.5107 73 E 4.0060 8.1696 116.9573 59.6182 29.6692 179.1546 74 T 3.9407 8.0386 116.6429 66.3950 68.4484 176.5008 75 A 3.6847 7.6493 122.6282 54.8559 18.2002 179.4828 76 D 4.2040 7.8512 116.9759 57.4402 40.8645 178.9437 77 V 3.6489 7.7882 118.6357 66.2307 31.4413 177.7758 78 I 3.6950 7.7537 119.0449 64.5463 36.6364 178.3049 79 A 3.8803 8.1913 121.0929 55.3609 18.1646 179.8239 80 K 4.1340 8.4646 115.5946 58.2145 32.5293 178.5476 81 V 4.2275 7.6571 116.2677 64.6702 32.8127 177.2910 82 A 3.9836 8.2503 120.4037 55.3891 18.2752 179.4946 83 F 3.8690 8.6192 116.2033 60.4562 38.9849 177.9995 84 K 4.3388 8.0876 120.0252 59.2602 31.9409 178.3610 85 M 3.8654 7.9030 116.9807 58.6391 32.0349 177.1042 86 Y 4.4545 7.9913 115.5242 58.4455 37.3405 176.7084 87 L 4.7283 7.9150 117.4662 53.1884 43.3432 176.8611 88 G 3.9814 8.3892 106.7000 46.0823 0.0000 173.7021 89 I 4.7188 7.3103 108.1081 59.2239 40.7002 174.2070 90 T 4.9491 7.9888 117.5886 59.5396 68.8894 172.1232 91 P 4.4324 0.0000 0.0000 62.8136 32.5657 175.5008 92 S 4.6511 8.8921 117.9131 57.5161 64.9232 173.4585 93 I 4.8001 8.2128 124.9794 60.4034 38.1955 174.9726 94 T 4.5379 8.3935 116.5208 59.8108 72.9174 172.8973 95 N 4.2000 8.5219 115.5220 54.1827 35.7246 175.5841 96 W 4.4943 8.0047 117.0200 56.3194 30.3741 177.3468 97 S 4.4484 9.2430 119.3865 57.3193 63.2607 173.3019 98 P 4.2653 0.0000 0.0000 66.2336 30.7086 177.5496 99 A 4.0241 8.0349 119.8157 52.9863 18.4279 178.3024 100 G 4.1648 8.7970 103.9117 45.9094 0.0000 173.4568 101 D 5.1220 7.9003 118.4479 52.9973 40.8968 175.4118 102 E 5.4628 8.5093 120.1093 55.5249 33.2999 173.7192 103 F 4.8467 8.5390 120.4355 55.8290 41.9975 172.8659 104 S 4.8752 8.9230 114.7464 56.5980 66.8342 173.5904 105 L 4.8444 8.9945 124.1438 53.4828 43.2917 175.6850 106 I 4.7283 8.8919 126.6778 59.8182 38.9101 174.8438 107 L 4.8458 8.8440 128.0638 52.6738 43.5473 177.7280 108 E 4.0139 9.1353 123.2973 59.0783 30.1034 176.3489 109 N 4.7306 7.6778 115.1867 51.6186 39.2421 173.2329 110 N 4.8858 8.5567 117.5471 51.3541 40.1325 173.7186 111 P 4.3053 0.0000 0.0000 66.1135 30.9688 177.8868 112 L 4.2083 7.9922 115.9890 55.4159 41.7929 177.0296 113 V 4.3343 7.5519 119.1594 61.4457 33.5783 172.6617 114 D 4.3774 8.8738 124.9911 54.1752 41.1048 176.9316 115 F 4.6731 8.9091 111.5336 55.7348 43.4964 174.4142 116 V 4.5711 8.1154 116.8812 59.3005 35.3212 174.9859 117 E 4.3250 8.4891 120.4827 55.8205 30.2842 176.3275 118 L 4.8050 8.3342 121.7788 52.3593 45.0353 172.6724 119 P 4.8563 0.0000 0.0000 63.6665 31.5307 175.4033 *122 H 4.4246 9.2025 117.9505 55.1659 29.8247 172.5541 123 S 4.6019 8.3621 118.0540 56.2482 65.0023 173.8369 124 A 4.1691 8.6548 129.4940 53.5574 18.7395 177.3916 125 L 3.9807 7.8126 118.4391 55.3490 42.6723 177.3164 126 I 4.1148 7.9850 127.1720 59.5256 35.7671 175.9509 127 Y 3.8983 7.7990 125.4570 60.5635 39.5633 178.6882 128 S 4.5884 7.6854 114.2354 58.6770 63.3419 175.7532 129 N 4.6538 8.5391 121.5557 56.0852 38.5396 175.9049 130 L 4.2056 7.7165 120.6787 58.2924 42.1128 178.0795 131 L 3.8757 7.8513 120.2020 58.7779 41.9288 178.5832 132 C 4.0325 7.8645 115.9124 63.1634 28.0462 176.6804 133 G 3.6885 8.1294 106.4428 47.6220 0.0000 175.7670 134 V 3.6179 7.6371 120.3275 65.7484 31.5869 178.0742 135 L 3.8950 7.9683 118.7420 57.9790 41.5571 179.6510 136 R 4.0832 8.2740 118.7415 59.1323 29.7599 178.8447 137 G 3.1484 8.3097 105.0128 47.5026 0.0000 175.2214 138 A 4.1850 8.2056 124.2028 54.9477 18.4800 179.7286 139 L 4.0289 8.0156 117.3070 57.9612 41.5178 179.4333 140 E 4.2488 8.1431 120.5743 58.9371 29.3720 178.4122 141 M 4.3445 7.8154 116.6670 56.6627 32.0833 177.1150 142 V 4.3986 7.4492 112.7592 61.1446 32.5583 175.5928 143 Q 3.6731 8.0953 115.7887 57.2458 26.3400 172.9323 144 M 5.0606 7.9700 116.6185 53.5873 35.9100 174.5739 145 A 4.6258 8.8583 127.3738 51.0170 19.6854 176.3051 146 V 4.8395 8.2544 113.9970 60.1906 36.1143 174.9823 147 E 4.5847 9.1447 124.3248 54.6017 31.4054 174.2843 148 A 5.0820 8.5466 129.0208 50.2538 20.8956 175.8083 149 K 4.5488 8.5496 123.3569 54.6114 36.3107 175.1869 150 F 4.7391 9.0087 126.0695 57.7771 38.9373 175.4899 151 V 4.4451 8.6323 116.5811 61.3542 33.4662 176.2765 152 Q 4.7278 7.8636 119.8920 54.7436 33.5127 172.7986 153 D 5.1094 9.7550 124.3379 52.3999 43.6507 176.4612 154 T 4.4984 8.5018 116.1763 63.8512 68.7155 175.1704 155 L 4.1663 8.1584 120.4897 56.0305 41.7251 177.3541 156 K 4.5113 8.6375 118.3251 56.0200 32.9561 176.6494 157 G 4.0623 8.5344 109.4610 45.6597 0.0000 174.8656 158 D 4.5052 7.9365 118.9163 54.1078 41.6021 177.5400 159 G 3.6047 8.8304 111.5991 48.4113 0.0000 173.4357 160 V 4.5885 7.3885 110.1372 59.3712 36.2348 174.5934 161 T 4.8019 8.4261 117.9047 62.2865 70.3967 173.9033 162 E 5.0695 9.7212 128.1748 54.3822 32.7971 174.2537 163 I 4.5374 8.5929 128.2974 59.4039 39.6572 174.6923 164 R 4.3346 8.8132 129.0011 55.8570 31.6232 174.8101 165 M 4.6811 8.8458 127.1905 53.5848 34.1755 174.7249 166 R 5.1372 8.6174 125.2242 54.2228 32.7866 174.4538 167 F 4.1898 8.9991 130.2630 58.3024 39.0693 174.8264 168 I 3.9868 8.1388 128.2366 62.7061 37.9805 176.4089 169 R 3.9762 5.8535 115.6921 55.5303 31.8266 173.1289 170 R 4.9285 8.6935 121.0207 55.2649 31.0784 175.9699 171 I 4.0332 8.4348 128.2347 61.3443 37.7642 175.7763 172 E 4.4756 8.6323 125.5043 54.9586 30.8103 176.0609 173 D 4.4470 8.4655 122.0658 54.7652 40.8985 176.0418 174 N 4.3402 8.3516 125.3284 56.0752 39.4769 175.8383 *175 L 4.1415 7.5813 123.1453 54.6149 41.7031 178.8285 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 15 S 8.33 4.44 0.00 4.04 3.98 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 16 S 8.27 4.41 0.00 3.96 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 17 E 8.66 4.25 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 18 L 7.90 3.97 0.00 1.82 1.76 0.97 0.95 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 19 F 8.06 4.19 0.00 3.18 3.13 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 20 T 7.66 3.77 4.34 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 1.32 0.00 0.00 21 L 8.54 4.06 0.00 1.87 1.74 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.45 3.82 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 Y 8.40 3.95 0.00 2.36 2.80 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 24 G 8.07 3.62 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 25 A 7.87 3.99 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 26 L 7.67 3.74 0.00 1.64 1.51 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.20 3.24 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 0.82 0.00 0.00 -0.23 0.00 0.00 28 T 7.46 3.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 Q 8.26 4.03 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 30 L 8.25 4.13 0.00 1.80 1.75 0.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.19 4.23 0.00 3.08 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 32 K 7.91 4.19 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 33 D 8.06 4.34 0.00 2.81 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 34 Y 7.85 4.67 0.00 2.86 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 35 E 8.88 4.12 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 2.31 2.29 0.00 36 N 7.97 4.97 0.00 2.79 2.85 0.00 0.00 7.24 8.49 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 37 D 8.78 4.40 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.51 3.96 0.00 2.17 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 2.39 2.41 0.00 39 D 7.98 4.27 0.00 2.77 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 V 7.34 3.19 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 0.93 0.00 0.00 0.82 0.00 0.00 41 N 8.01 4.29 0.00 2.97 2.83 0.00 0.00 7.03 6.95 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 42 K 7.52 3.95 0.00 1.88 1.79 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 43 Q 7.95 3.97 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 44 L 8.01 3.99 0.00 1.72 1.75 0.79 0.68 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 45 D 8.02 4.39 0.00 2.79 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 46 R 7.94 3.91 0.00 2.14 2.01 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 47 M 8.49 4.23 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.59 0.00 48 G 8.28 3.63 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 0.00 0.00 0.00 49 Y 8.27 4.23 0.00 3.18 3.22 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 50 N 8.52 4.41 0.00 2.99 2.89 0.00 0.00 7.08 6.76 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 51 I 7.70 3.89 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.80 0.00 0.00 52 G 8.47 3.43 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 0.00 53 V 7.31 3.62 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.81 0.00 0.00 54 R 6.99 4.27 0.00 1.96 1.92 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 55 L 8.32 3.90 0.00 1.64 1.48 0.50 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.66 3.71 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.91 0.00 0.00 57 E 8.04 3.96 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 2.33 2.46 0.00 58 D 8.17 4.38 0.00 2.78 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 59 F 8.55 4.43 0.00 3.38 3.36 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 60 L 8.28 3.77 0.00 1.74 1.69 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.96 4.07 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 62 R 7.30 4.21 0.00 1.62 1.87 0.00 3.34 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 63 S 7.55 4.32 0.00 3.71 3.45 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 64 N 7.64 4.17 0.00 2.84 2.92 0.00 0.00 7.01 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 65 V 7.60 3.92 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 0.66 0.00 0.00 0.98 0.00 0.00 66 G 8.18 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 67 R 8.08 4.13 0.00 1.75 1.87 0.00 3.28 0.00 0.00 3.25 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 *69 H 8.62 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0.00 0.00 0.00 2.33 1.84 0.00 86 Y 7.99 4.45 0.00 2.92 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 87 L 7.92 4.73 0.00 1.93 1.70 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.39 3.98 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 0.00 0.00 0.00 89 I 7.31 4.72 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 1.01 0.00 0.00 90 T 7.99 4.95 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 1.26 0.00 0.00 91 P 0.00 4.43 0.00 1.50 1.60 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.69 0.00 92 S 8.89 4.65 0.00 3.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.21 4.80 1.88 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 1.24 0.44 0.66 0.00 0.00 94 T 8.39 4.54 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 1.20 0.00 0.00 95 N 8.52 4.20 0.00 2.78 2.87 0.00 0.00 6.88 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 96 W 8.00 4.49 0.00 3.34 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 97 S 9.24 4.45 0.00 4.09 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 98 P 0.00 4.27 0.00 2.24 2.30 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 99 A 8.03 4.02 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 0.00 100 G 8.80 4.16 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 0.00 101 D 7.90 5.12 0.00 2.91 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 0.00 102 E 8.51 5.46 0.00 2.17 1.85 0.00 0.00 0.00 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0.00 3.05 2.86 0.00 0.00 6.88 6.69 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 0.00 130 L 7.72 4.21 0.00 2.09 1.57 1.13 0.47 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 0.00 131 L 7.85 3.88 0.00 2.24 1.78 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 132 C 7.86 4.03 0.00 3.37 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 0.00 133 G 8.13 3.69 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 0.00 0.00 0.00 134 V 7.64 3.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 135 L 7.97 3.90 0.00 1.86 1.70 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.27 4.08 0.00 1.93 2.03 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 137 G 8.31 3.15 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 0.00 138 A 8.21 4.18 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 0.00 139 L 8.02 4.03 0.00 1.86 1.86 1.11 0.80 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 0.00 140 E 8.14 4.25 0.00 2.27 2.18 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 2.38 2.28 0.00 141 M 7.82 4.34 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 142 V 7.45 4.40 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 0.77 0.00 0.00 1.07 0.00 0.00 143 Q 8.10 3.67 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 144 M 7.97 5.06 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.86 0.00 145 A 8.86 4.63 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 0.00 146 V 8.25 4.84 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 0.94 0.00 0.00 1.03 0.00 0.00 147 E 9.14 4.58 0.00 1.97 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 2.17 2.21 0.00 148 A 8.55 5.08 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 0.00 149 K 8.55 4.55 0.00 1.77 1.53 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 150 F 9.01 4.74 0.00 2.98 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 0.00 151 V 8.63 4.45 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 0.72 0.00 0.00 1.00 0.00 0.00 152 Q 7.86 4.73 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 153 D 9.76 5.11 0.00 2.67 2.45 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 0.00 154 T 8.50 4.50 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 0.00 155 L 8.16 4.17 0.00 1.79 1.63 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.64 4.51 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.30 7.81 157 G 8.53 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 0.00 158 D 7.94 4.51 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.39 4.59 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 0.75 0.00 0.00 0.92 0.00 0.00 161 T 8.43 4.80 4.43 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 1.50 0.00 0.00 162 E 9.72 5.07 0.00 1.93 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 2.11 2.15 0.00 163 I 8.59 4.54 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.54 0.58 0.00 0.00 164 R 8.81 4.33 0.00 1.77 1.79 0.00 3.02 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 1.51 1.48 0.00 165 M 8.85 4.68 0.00 1.25 0.57 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 166 R 8.62 5.14 0.00 1.85 1.75 0.00 3.26 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 167 F 9.00 4.19 0.00 1.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.14 3.99 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.76 0.00 0.00 169 R 5.85 3.98 0.00 1.73 1.79 0.00 2.86 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.00 170 R 8.69 4.93 0.00 2.15 2.02 0.00 3.33 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 171 I 8.43 4.03 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.93 0.00 0.00 172 E 8.63 4.48 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 173 D 8.47 4.45 0.00 2.66 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 0.00 174 N 8.35 4.34 0.00 2.72 2.79 0.00 0.00 6.91 7.85 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 *175 L 7.58 4.14 0.00 1.41 1.48 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.